Program PWSCF v.5.1.1 starts on 17Oct2015 at 19: 8:23 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: ./GaCuI4.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 63 17 1904 1614 238 Max 71 64 18 1908 1636 241 Sum 3397 3049 851 91517 77987 11495 bravais-lattice index = 14 lattice parameter (alat) = 13.5992 a.u. unit-cell volume = 1454.1956 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.599250 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.638083 celldm(5)= -0.638083 celldm(6)= 0.276165 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.276165 0.961110 0.000000 ) a(3) = ( -0.638083 -0.480555 0.601596 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.287340 0.831123 ) b(2) = ( 0.000000 1.040463 0.831123 ) b(3) = ( 0.000000 0.000000 1.662246 ) PseudoPot. # 1 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ga 13.00 69.72300 Ga( 1.00) I 7.00 126.90450 I( 1.00) Cu 11.00 63.54600 Cu( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 258 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 2) = ( 0.0000000 0.0000000 0.0224628), wk = 0.0038760 k( 3) = ( 0.0000000 0.0000000 0.0449256), wk = 0.0038760 k( 4) = ( 0.0000000 0.0000000 0.0673883), wk = 0.0038760 k( 5) = ( 0.0000000 0.0000000 0.0898511), wk = 0.0038760 k( 6) = ( 0.0000000 0.0000000 0.1123139), wk = 0.0038760 k( 7) = ( 0.0000000 0.0000000 0.1347767), wk = 0.0038760 k( 8) = ( 0.0000000 0.0000000 0.1572395), wk = 0.0038760 k( 9) = ( 0.0000000 0.0000000 0.1797022), wk = 0.0038760 k( 10) = ( 0.0000000 0.0000000 0.2021650), wk = 0.0038760 k( 11) = ( 0.0000000 0.0000000 0.2246278), wk = 0.0038760 k( 12) = ( 0.0000000 0.0000000 0.2470906), wk = 0.0038760 k( 13) = ( 0.0000000 0.0000000 0.2695534), wk = 0.0038760 k( 14) = ( 0.0000000 0.0000000 0.2920161), wk = 0.0038760 k( 15) = ( 0.0000000 0.0000000 0.3144789), wk = 0.0038760 k( 16) = ( 0.0000000 0.0000000 0.3369417), wk = 0.0038760 k( 17) = ( 0.0000000 0.0000000 0.3594045), wk = 0.0038760 k( 18) = ( 0.0000000 0.0000000 0.3818673), wk = 0.0038760 k( 19) = ( 0.0000000 0.0000000 0.4043300), wk = 0.0038760 k( 20) = ( 0.0000000 0.0000000 0.4267928), wk = 0.0038760 k( 21) = ( 0.0000000 0.0000000 0.4492556), wk = 0.0038760 k( 22) = ( 0.0000000 0.0000000 0.4717184), wk = 0.0038760 k( 23) = ( 0.0000000 0.0000000 0.4941812), wk = 0.0038760 k( 24) = ( 0.0000000 0.0000000 0.5166439), wk = 0.0038760 k( 25) = ( 0.0000000 0.0000000 0.5391067), wk = 0.0038760 k( 26) = ( 0.0000000 0.0000000 0.5615695), wk = 0.0038760 k( 27) = ( 0.0000000 0.0000000 0.5840323), wk = 0.0038760 k( 28) = ( 0.0000000 0.0000000 0.6064950), wk = 0.0038760 k( 29) = ( 0.0000000 0.0000000 0.6289578), wk = 0.0038760 k( 30) = ( 0.0000000 0.0000000 0.6514206), wk = 0.0038760 k( 31) = ( 0.0000000 0.0000000 0.6738834), wk = 0.0038760 k( 32) = ( 0.0000000 0.0000000 0.6963462), wk = 0.0038760 k( 33) = ( 0.0000000 0.0000000 0.7188090), wk = 0.0038760 k( 34) = ( 0.0000000 0.0000000 0.7412717), wk = 0.0038760 k( 35) = ( 0.0000000 0.0000000 0.7637345), wk = 0.0038760 k( 36) = ( 0.0000000 0.0000000 0.7861973), wk = 0.0038760 k( 37) = ( 0.0000000 0.0000000 0.8086601), wk = 0.0038760 k( 38) = ( 0.0000000 0.0000000 0.8311229), wk = 0.0038760 k( 39) = ( 0.0000000 0.0000000 0.8311229), wk = 0.0038760 k( 40) = ( -0.0128908 0.0171164 0.8311229), wk = 0.0038760 k( 41) = ( -0.0257816 0.0342329 0.8311229), wk = 0.0038760 k( 42) = ( -0.0386724 0.0513493 0.8311229), wk = 0.0038760 k( 43) = ( -0.0515632 0.0684658 0.8311229), wk = 0.0038760 k( 44) = ( -0.0644540 0.0855822 0.8311229), wk = 0.0038760 k( 45) = ( -0.0773448 0.1026987 0.8311229), wk = 0.0038760 k( 46) = ( -0.0902356 0.1198151 0.8311229), wk = 0.0038760 k( 47) = ( -0.1031264 0.1369316 0.8311229), wk = 0.0038760 k( 48) = ( -0.1160172 0.1540480 0.8311229), wk = 0.0038760 k( 49) = ( -0.1289080 0.1711645 0.8311229), wk = 0.0038760 k( 50) = ( -0.1417989 0.1882809 0.8311229), wk = 0.0038760 k( 51) = ( -0.1417989 0.1882809 0.8311229), wk = 0.0038760 k( 52) = ( -0.1512252 0.2007973 0.8154539), wk = 0.0038760 k( 53) = ( -0.1606515 0.2133136 0.7997851), wk = 0.0038760 k( 54) = ( -0.1700779 0.2258299 0.7841161), wk = 0.0038760 k( 55) = ( -0.1795042 0.2383463 0.7684473), wk = 0.0038760 k( 56) = ( -0.1889306 0.2508626 0.7527783), wk = 0.0038760 k( 57) = ( -0.1983569 0.2633789 0.7371094), wk = 0.0038760 k( 58) = ( -0.2077833 0.2758952 0.7214405), wk = 0.0038760 k( 59) = ( -0.2172096 0.2884116 0.7057716), wk = 0.0038760 k( 60) = ( -0.2266360 0.3009279 0.6901027), wk = 0.0038760 k( 61) = ( -0.2360623 0.3134442 0.6744338), wk = 0.0038760 k( 62) = ( -0.2454887 0.3259606 0.6587649), wk = 0.0038760 k( 63) = ( -0.2549150 0.3384769 0.6430960), wk = 0.0038760 k( 64) = ( -0.2643413 0.3509932 0.6274271), wk = 0.0038760 k( 65) = ( -0.2737677 0.3635096 0.6117582), wk = 0.0038760 k( 66) = ( -0.2831940 0.3760259 0.5960893), wk = 0.0038760 k( 67) = ( -0.2926204 0.3885422 0.5804204), wk = 0.0038760 k( 68) = ( -0.3020467 0.4010586 0.5647515), wk = 0.0038760 k( 69) = ( -0.3114731 0.4135749 0.5490826), wk = 0.0038760 k( 70) = ( -0.3208994 0.4260912 0.5334137), wk = 0.0038760 k( 71) = ( -0.3208994 0.4260912 0.5334137), wk = 0.0038760 k( 72) = ( -0.3111752 0.4131794 0.5172496), wk = 0.0038760 k( 73) = ( -0.3014510 0.4002675 0.5010856), wk = 0.0038760 k( 74) = ( -0.2917267 0.3873557 0.4849215), wk = 0.0038760 k( 75) = ( -0.2820025 0.3744438 0.4687575), wk = 0.0038760 k( 76) = ( -0.2722783 0.3615319 0.4525934), wk = 0.0038760 k( 77) = ( -0.2625541 0.3486201 0.4364294), wk = 0.0038760 k( 78) = ( -0.2528299 0.3357082 0.4202653), wk = 0.0038760 k( 79) = ( -0.2431056 0.3227964 0.4041013), wk = 0.0038760 k( 80) = ( -0.2333814 0.3098845 0.3879372), wk = 0.0038760 k( 81) = ( -0.2236572 0.2969727 0.3717732), wk = 0.0038760 k( 82) = ( -0.2139330 0.2840608 0.3556091), wk = 0.0038760 k( 83) = ( -0.2042087 0.2711490 0.3394451), wk = 0.0038760 k( 84) = ( -0.1944845 0.2582371 0.3232810), wk = 0.0038760 k( 85) = ( -0.1847603 0.2453253 0.3071170), wk = 0.0038760 k( 86) = ( -0.1750360 0.2324134 0.2909529), wk = 0.0038760 k( 87) = ( -0.1653118 0.2195015 0.2747889), wk = 0.0038760 k( 88) = ( -0.1555876 0.2065897 0.2586248), wk = 0.0038760 k( 89) = ( -0.1458634 0.1936778 0.2424608), wk = 0.0038760 k( 90) = ( -0.1361391 0.1807660 0.2262967), wk = 0.0038760 k( 91) = ( -0.1264149 0.1678541 0.2101327), wk = 0.0038760 k( 92) = ( -0.1166907 0.1549423 0.1939686), wk = 0.0038760 k( 93) = ( -0.1069665 0.1420304 0.1778046), wk = 0.0038760 k( 94) = ( -0.0972423 0.1291186 0.1616405), wk = 0.0038760 k( 95) = ( -0.0875180 0.1162067 0.1454765), wk = 0.0038760 k( 96) = ( -0.0777938 0.1032948 0.1293124), wk = 0.0038760 k( 97) = ( -0.0680696 0.0903830 0.1131484), wk = 0.0038760 k( 98) = ( -0.0583453 0.0774711 0.0969843), wk = 0.0038760 k( 99) = ( -0.0486211 0.0645593 0.0808203), wk = 0.0038760 k( 100) = ( -0.0388969 0.0516474 0.0646562), wk = 0.0038760 k( 101) = ( -0.0291727 0.0387356 0.0484922), wk = 0.0038760 k( 102) = ( -0.0194484 0.0258237 0.0323281), wk = 0.0038760 k( 103) = ( -0.0097242 0.0129119 0.0161641), wk = 0.0038760 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 106) = ( 0.0178571 0.0134486 -0.0000000), wk = 0.0038760 k( 107) = ( 0.0357143 0.0268973 0.0000000), wk = 0.0038760 k( 108) = ( 0.0535714 0.0403459 0.0000000), wk = 0.0038760 k( 109) = ( 0.0714286 0.0537946 -0.0000000), wk = 0.0038760 k( 110) = ( 0.0892857 0.0672432 -0.0000000), wk = 0.0038760 k( 111) = ( 0.1071429 0.0806918 0.0000000), wk = 0.0038760 k( 112) = ( 0.1250000 0.0941405 -0.0000000), wk = 0.0038760 k( 113) = ( 0.1428571 0.1075891 -0.0000000), wk = 0.0038760 k( 114) = ( 0.1607143 0.1210378 0.0000000), wk = 0.0038760 k( 115) = ( 0.1785714 0.1344864 0.0000000), wk = 0.0038760 k( 116) = ( 0.1964286 0.1479350 -0.0000000), wk = 0.0038760 k( 117) = ( 0.2142857 0.1613837 -0.0000000), wk = 0.0038760 k( 118) = ( 0.2321429 0.1748323 -0.0000000), wk = 0.0038760 k( 119) = ( 0.2500000 0.1882809 -0.0000000), wk = 0.0038760 k( 120) = ( 0.2678571 0.2017296 -0.0000000), wk = 0.0038760 k( 121) = ( 0.2857143 0.2151782 -0.0000000), wk = 0.0038760 k( 122) = ( 0.3035714 0.2286269 -0.0000000), wk = 0.0038760 k( 123) = ( 0.3214286 0.2420755 -0.0000000), wk = 0.0038760 k( 124) = ( 0.3392857 0.2555241 0.0000000), wk = 0.0038760 k( 125) = ( 0.3571429 0.2689728 0.0000000), wk = 0.0038760 k( 126) = ( 0.3750000 0.2824214 -0.0000000), wk = 0.0038760 k( 127) = ( 0.3928571 0.2958700 -0.0000000), wk = 0.0038760 k( 128) = ( 0.4107143 0.3093187 0.0000000), wk = 0.0038760 k( 129) = ( 0.4285714 0.3227673 -0.0000000), wk = 0.0038760 k( 130) = ( 0.4464286 0.3362160 -0.0000000), wk = 0.0038760 k( 131) = ( 0.4642857 0.3496646 0.0000000), wk = 0.0038760 k( 132) = ( 0.4821429 0.3631132 0.0000000), wk = 0.0038760 k( 133) = ( 0.5000000 0.3765619 -0.0000000), wk = 0.0038760 k( 134) = ( 0.5000000 0.3765619 -0.0000000), wk = 0.0038760 k( 135) = ( 0.4905737 0.3890782 0.0156689), wk = 0.0038760 k( 136) = ( 0.4811473 0.4015945 0.0313378), wk = 0.0038760 k( 137) = ( 0.4717210 0.4141109 0.0470067), wk = 0.0038760 k( 138) = ( 0.4622946 0.4266272 0.0626756), wk = 0.0038760 k( 139) = ( 0.4528683 0.4391435 0.0783445), wk = 0.0038760 k( 140) = ( 0.4434419 0.4516599 0.0940134), wk = 0.0038760 k( 141) = ( 0.4340156 0.4641762 0.1096823), wk = 0.0038760 k( 142) = ( 0.4245892 0.4766925 0.1253512), wk = 0.0038760 k( 143) = ( 0.4151629 0.4892089 0.1410201), wk = 0.0038760 k( 144) = ( 0.4057365 0.5017252 0.1566890), wk = 0.0038760 k( 145) = ( 0.3963102 0.5142415 0.1723579), wk = 0.0038760 k( 146) = ( 0.3868838 0.5267578 0.1880268), wk = 0.0038760 k( 147) = ( 0.3774575 0.5392742 0.2036957), wk = 0.0038760 k( 148) = ( 0.3680312 0.5517905 0.2193646), wk = 0.0038760 k( 149) = ( 0.3586048 0.5643068 0.2350335), wk = 0.0038760 k( 150) = ( 0.3491785 0.5768232 0.2507025), wk = 0.0038760 k( 151) = ( 0.3397521 0.5893395 0.2663714), wk = 0.0038760 k( 152) = ( 0.3303258 0.6018558 0.2820403), wk = 0.0038760 k( 153) = ( 0.3208994 0.6143722 0.2977092), wk = 0.0038760 k( 154) = ( 0.3208994 0.6143722 0.2977092), wk = 0.0038760 k( 155) = ( 0.3008432 0.6084884 0.3050749), wk = 0.0038760 k( 156) = ( 0.2807870 0.6026046 0.3124407), wk = 0.0038760 k( 157) = ( 0.2607308 0.5967208 0.3198065), wk = 0.0038760 k( 158) = ( 0.2406746 0.5908370 0.3271722), wk = 0.0038760 k( 159) = ( 0.2206184 0.5849533 0.3345380), wk = 0.0038760 k( 160) = ( 0.2005621 0.5790695 0.3419038), wk = 0.0038760 k( 161) = ( 0.1805059 0.5731857 0.3492695), wk = 0.0038760 k( 162) = ( 0.1604497 0.5673019 0.3566353), wk = 0.0038760 k( 163) = ( 0.1403935 0.5614181 0.3640011), wk = 0.0038760 k( 164) = ( 0.1203373 0.5555344 0.3713668), wk = 0.0038760 k( 165) = ( 0.1002811 0.5496506 0.3787326), wk = 0.0038760 k( 166) = ( 0.0802249 0.5437668 0.3860984), wk = 0.0038760 k( 167) = ( 0.0601686 0.5378830 0.3934641), wk = 0.0038760 k( 168) = ( 0.0401124 0.5319992 0.4008299), wk = 0.0038760 k( 169) = ( 0.0200562 0.5261155 0.4081957), wk = 0.0038760 k( 170) = ( 0.0000000 0.5202317 0.4155614), wk = 0.0038760 k( 171) = ( 0.0000000 0.5202317 0.4155614), wk = 0.0038760 k( 172) = ( 0.0096154 0.5074644 0.4315446), wk = 0.0038760 k( 173) = ( 0.0192308 0.4946970 0.4475277), wk = 0.0038760 k( 174) = ( 0.0288462 0.4819297 0.4635108), wk = 0.0038760 k( 175) = ( 0.0384615 0.4691623 0.4794940), wk = 0.0038760 k( 176) = ( 0.0480769 0.4563950 0.4954771), wk = 0.0038760 k( 177) = ( 0.0576923 0.4436277 0.5114602), wk = 0.0038760 k( 178) = ( 0.0673077 0.4308603 0.5274433), wk = 0.0038760 k( 179) = ( 0.0769231 0.4180930 0.5434265), wk = 0.0038760 k( 180) = ( 0.0865385 0.4053257 0.5594096), wk = 0.0038760 k( 181) = ( 0.0961538 0.3925583 0.5753928), wk = 0.0038760 k( 182) = ( 0.1057692 0.3797910 0.5913759), wk = 0.0038760 k( 183) = ( 0.1153846 0.3670236 0.6073590), wk = 0.0038760 k( 184) = ( 0.1250000 0.3542563 0.6233421), wk = 0.0038760 k( 185) = ( 0.1346154 0.3414890 0.6393253), wk = 0.0038760 k( 186) = ( 0.1442308 0.3287216 0.6553084), wk = 0.0038760 k( 187) = ( 0.1538461 0.3159543 0.6712915), wk = 0.0038760 k( 188) = ( 0.1634615 0.3031870 0.6872747), wk = 0.0038760 k( 189) = ( 0.1730769 0.2904196 0.7032578), wk = 0.0038760 k( 190) = ( 0.1826923 0.2776523 0.7192409), wk = 0.0038760 k( 191) = ( 0.1923077 0.2648850 0.7352241), wk = 0.0038760 k( 192) = ( 0.2019231 0.2521176 0.7512072), wk = 0.0038760 k( 193) = ( 0.2115385 0.2393503 0.7671903), wk = 0.0038760 k( 194) = ( 0.2211539 0.2265829 0.7831735), wk = 0.0038760 k( 195) = ( 0.2307692 0.2138156 0.7991566), wk = 0.0038760 k( 196) = ( 0.2403846 0.2010483 0.8151397), wk = 0.0038760 k( 197) = ( 0.2500000 0.1882809 0.8311229), wk = 0.0038760 k( 198) = ( 0.2500000 0.1882809 0.8311229), wk = 0.0038760 k( 199) = ( 0.2638889 0.1987410 0.8180282), wk = 0.0038760 k( 200) = ( 0.2777778 0.2092010 0.8049335), wk = 0.0038760 k( 201) = ( 0.2916667 0.2196611 0.7918388), wk = 0.0038760 k( 202) = ( 0.3055556 0.2301212 0.7787441), wk = 0.0038760 k( 203) = ( 0.3194444 0.2405812 0.7656494), wk = 0.0038760 k( 204) = ( 0.3333333 0.2510413 0.7525547), wk = 0.0038760 k( 205) = ( 0.3472222 0.2615013 0.7394600), wk = 0.0038760 k( 206) = ( 0.3611111 0.2719614 0.7263653), wk = 0.0038760 k( 207) = ( 0.3750000 0.2824214 0.7132706), wk = 0.0038760 k( 208) = ( 0.3888889 0.2928815 0.7001759), wk = 0.0038760 k( 209) = ( 0.4027778 0.3033415 0.6870812), wk = 0.0038760 k( 210) = ( 0.4166667 0.3138016 0.6739865), wk = 0.0038760 k( 211) = ( 0.4305556 0.3242616 0.6608918), wk = 0.0038760 k( 212) = ( 0.4444444 0.3347217 0.6477971), wk = 0.0038760 k( 213) = ( 0.4583333 0.3451817 0.6347024), wk = 0.0038760 k( 214) = ( 0.4722222 0.3556418 0.6216077), wk = 0.0038760 k( 215) = ( 0.4861111 0.3661018 0.6085130), wk = 0.0038760 k( 216) = ( 0.5000000 0.3765619 0.5954183), wk = 0.0038760 k( 217) = ( 0.5000000 0.3765619 0.5954183), wk = 0.0038760 k( 218) = ( 0.5000000 0.3765619 0.5725176), wk = 0.0038760 k( 219) = ( 0.5000000 0.3765619 0.5496169), wk = 0.0038760 k( 220) = ( 0.5000000 0.3765619 0.5267162), wk = 0.0038760 k( 221) = ( 0.5000000 0.3765619 0.5038155), wk = 0.0038760 k( 222) = ( 0.5000000 0.3765619 0.4809148), wk = 0.0038760 k( 223) = ( 0.5000000 0.3765619 0.4580141), wk = 0.0038760 k( 224) = ( 0.5000000 0.3765619 0.4351134), wk = 0.0038760 k( 225) = ( 0.5000000 0.3765619 0.4122127), wk = 0.0038760 k( 226) = ( 0.5000000 0.3765619 0.3893120), wk = 0.0038760 k( 227) = ( 0.5000000 0.3765619 0.3664113), wk = 0.0038760 k( 228) = ( 0.5000000 0.3765619 0.3435106), wk = 0.0038760 k( 229) = ( 0.5000000 0.3765619 0.3206099), wk = 0.0038760 k( 230) = ( 0.5000000 0.3765619 0.2977092), wk = 0.0038760 k( 231) = ( 0.5000000 0.3765619 0.2748085), wk = 0.0038760 k( 232) = ( 0.5000000 0.3765619 0.2519078), wk = 0.0038760 k( 233) = ( 0.5000000 0.3765619 0.2290070), wk = 0.0038760 k( 234) = ( 0.5000000 0.3765619 0.2061063), wk = 0.0038760 k( 235) = ( 0.5000000 0.3765619 0.1832056), wk = 0.0038760 k( 236) = ( 0.5000000 0.3765619 0.1603049), wk = 0.0038760 k( 237) = ( 0.5000000 0.3765619 0.1374042), wk = 0.0038760 k( 238) = ( 0.5000000 0.3765619 0.1145035), wk = 0.0038760 k( 239) = ( 0.5000000 0.3765619 0.0916028), wk = 0.0038760 k( 240) = ( 0.5000000 0.3765619 0.0687021), wk = 0.0038760 k( 241) = ( 0.5000000 0.3765619 0.0458014), wk = 0.0038760 k( 242) = ( 0.5000000 0.3765619 0.0229007), wk = 0.0038760 k( 243) = ( 0.5000000 0.3765619 -0.0000000), wk = 0.0038760 k( 244) = ( 0.0000000 0.0000000 0.8311229), wk = 0.0038760 k( 245) = ( 0.0178571 0.0134486 0.8311229), wk = 0.0038760 k( 246) = ( 0.0357143 0.0268973 0.8311229), wk = 0.0038760 k( 247) = ( 0.0535714 0.0403459 0.8311229), wk = 0.0038760 k( 248) = ( 0.0714286 0.0537946 0.8311229), wk = 0.0038760 k( 249) = ( 0.0892857 0.0672432 0.8311229), wk = 0.0038760 k( 250) = ( 0.1071429 0.0806918 0.8311229), wk = 0.0038760 k( 251) = ( 0.1250000 0.0941405 0.8311229), wk = 0.0038760 k( 252) = ( 0.1428571 0.1075891 0.8311229), wk = 0.0038760 k( 253) = ( 0.1607143 0.1210378 0.8311229), wk = 0.0038760 k( 254) = ( 0.1785714 0.1344864 0.8311229), wk = 0.0038760 k( 255) = ( 0.1964286 0.1479350 0.8311229), wk = 0.0038760 k( 256) = ( 0.2142857 0.1613837 0.8311229), wk = 0.0038760 k( 257) = ( 0.2321429 0.1748323 0.8311229), wk = 0.0038760 k( 258) = ( 0.2500000 0.1882809 0.8311229), wk = 0.0038760 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 2) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0038760 k( 3) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0038760 k( 4) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0038760 k( 5) = ( 0.0000000 0.0000000 0.0540541), wk = 0.0038760 k( 6) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0038760 k( 7) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0038760 k( 8) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0038760 k( 9) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0038760 k( 10) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0038760 k( 11) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0038760 k( 12) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0038760 k( 13) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0038760 k( 14) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0038760 k( 15) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0038760 k( 16) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0038760 k( 17) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0038760 k( 18) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0038760 k( 19) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0038760 k( 20) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0038760 k( 21) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0038760 k( 22) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0038760 k( 23) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0038760 k( 24) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0038760 k( 25) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0038760 k( 26) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0038760 k( 27) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0038760 k( 28) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0038760 k( 29) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0038760 k( 30) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0038760 k( 31) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0038760 k( 32) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0038760 k( 33) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0038760 k( 34) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0038760 k( 35) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0038760 k( 36) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0038760 k( 37) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0038760 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038760 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038760 k( 40) = ( -0.0128908 0.0128908 0.5000000), wk = 0.0038760 k( 41) = ( -0.0257816 0.0257816 0.5000000), wk = 0.0038760 k( 42) = ( -0.0386724 0.0386724 0.5000000), wk = 0.0038760 k( 43) = ( -0.0515632 0.0515632 0.5000000), wk = 0.0038760 k( 44) = ( -0.0644540 0.0644540 0.5000000), wk = 0.0038760 k( 45) = ( -0.0773448 0.0773448 0.5000000), wk = 0.0038760 k( 46) = ( -0.0902356 0.0902356 0.5000000), wk = 0.0038760 k( 47) = ( -0.1031264 0.1031264 0.5000000), wk = 0.0038760 k( 48) = ( -0.1160172 0.1160172 0.5000000), wk = 0.0038760 k( 49) = ( -0.1289080 0.1289080 0.5000000), wk = 0.0038760 k( 50) = ( -0.1417989 0.1417989 0.5000000), wk = 0.0038760 k( 51) = ( -0.1417989 0.1417989 0.5000000), wk = 0.0038760 k( 52) = ( -0.1512252 0.1512252 0.4905737), wk = 0.0038760 k( 53) = ( -0.1606515 0.1606515 0.4811473), wk = 0.0038760 k( 54) = ( -0.1700779 0.1700779 0.4717210), wk = 0.0038760 k( 55) = ( -0.1795042 0.1795042 0.4622946), wk = 0.0038760 k( 56) = ( -0.1889306 0.1889306 0.4528683), wk = 0.0038760 k( 57) = ( -0.1983569 0.1983569 0.4434419), wk = 0.0038760 k( 58) = ( -0.2077833 0.2077833 0.4340156), wk = 0.0038760 k( 59) = ( -0.2172096 0.2172096 0.4245892), wk = 0.0038760 k( 60) = ( -0.2266360 0.2266360 0.4151629), wk = 0.0038760 k( 61) = ( -0.2360623 0.2360623 0.4057365), wk = 0.0038760 k( 62) = ( -0.2454887 0.2454887 0.3963102), wk = 0.0038760 k( 63) = ( -0.2549150 0.2549150 0.3868838), wk = 0.0038760 k( 64) = ( -0.2643413 0.2643413 0.3774575), wk = 0.0038760 k( 65) = ( -0.2737677 0.2737677 0.3680312), wk = 0.0038760 k( 66) = ( -0.2831940 0.2831940 0.3586048), wk = 0.0038760 k( 67) = ( -0.2926204 0.2926204 0.3491785), wk = 0.0038760 k( 68) = ( -0.3020467 0.3020467 0.3397521), wk = 0.0038760 k( 69) = ( -0.3114731 0.3114731 0.3303258), wk = 0.0038760 k( 70) = ( -0.3208994 0.3208994 0.3208994), wk = 0.0038760 k( 71) = ( -0.3208994 0.3208994 0.3208994), wk = 0.0038760 k( 72) = ( -0.3111752 0.3111752 0.3111752), wk = 0.0038760 k( 73) = ( -0.3014510 0.3014510 0.3014510), wk = 0.0038760 k( 74) = ( -0.2917267 0.2917267 0.2917268), wk = 0.0038760 k( 75) = ( -0.2820025 0.2820025 0.2820025), wk = 0.0038760 k( 76) = ( -0.2722783 0.2722783 0.2722783), wk = 0.0038760 k( 77) = ( -0.2625541 0.2625541 0.2625541), wk = 0.0038760 k( 78) = ( -0.2528299 0.2528299 0.2528299), wk = 0.0038760 k( 79) = ( -0.2431056 0.2431056 0.2431056), wk = 0.0038760 k( 80) = ( -0.2333814 0.2333814 0.2333814), wk = 0.0038760 k( 81) = ( -0.2236572 0.2236572 0.2236572), wk = 0.0038760 k( 82) = ( -0.2139330 0.2139329 0.2139330), wk = 0.0038760 k( 83) = ( -0.2042087 0.2042087 0.2042087), wk = 0.0038760 k( 84) = ( -0.1944845 0.1944845 0.1944845), wk = 0.0038760 k( 85) = ( -0.1847603 0.1847603 0.1847603), wk = 0.0038760 k( 86) = ( -0.1750360 0.1750360 0.1750361), wk = 0.0038760 k( 87) = ( -0.1653118 0.1653118 0.1653118), wk = 0.0038760 k( 88) = ( -0.1555876 0.1555876 0.1555876), wk = 0.0038760 k( 89) = ( -0.1458634 0.1458634 0.1458634), wk = 0.0038760 k( 90) = ( -0.1361391 0.1361391 0.1361391), wk = 0.0038760 k( 91) = ( -0.1264149 0.1264149 0.1264149), wk = 0.0038760 k( 92) = ( -0.1166907 0.1166907 0.1166907), wk = 0.0038760 k( 93) = ( -0.1069665 0.1069665 0.1069665), wk = 0.0038760 k( 94) = ( -0.0972423 0.0972423 0.0972423), wk = 0.0038760 k( 95) = ( -0.0875180 0.0875180 0.0875180), wk = 0.0038760 k( 96) = ( -0.0777938 0.0777938 0.0777938), wk = 0.0038760 k( 97) = ( -0.0680696 0.0680696 0.0680696), wk = 0.0038760 k( 98) = ( -0.0583453 0.0583454 0.0583454), wk = 0.0038760 k( 99) = ( -0.0486211 0.0486211 0.0486211), wk = 0.0038760 k( 100) = ( -0.0388969 0.0388969 0.0388969), wk = 0.0038760 k( 101) = ( -0.0291727 0.0291727 0.0291727), wk = 0.0038760 k( 102) = ( -0.0194484 0.0194484 0.0194484), wk = 0.0038760 k( 103) = ( -0.0097242 0.0097242 0.0097242), wk = 0.0038760 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 106) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0038760 k( 107) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0038760 k( 108) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0038760 k( 109) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0038760 k( 110) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0038760 k( 111) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0038760 k( 112) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0038760 k( 113) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0038760 k( 114) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0038760 k( 115) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0038760 k( 116) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0038760 k( 117) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0038760 k( 118) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0038760 k( 119) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0038760 k( 120) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0038760 k( 121) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0038760 k( 122) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0038760 k( 123) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0038760 k( 124) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0038760 k( 125) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0038760 k( 126) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0038760 k( 127) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0038760 k( 128) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0038760 k( 129) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0038760 k( 130) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0038760 k( 131) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0038760 k( 132) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0038760 k( 133) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038760 k( 134) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038760 k( 135) = ( 0.4905737 0.5094264 -0.4905737), wk = 0.0038760 k( 136) = ( 0.4811473 0.5188527 -0.4811473), wk = 0.0038760 k( 137) = ( 0.4717210 0.5282790 -0.4717210), wk = 0.0038760 k( 138) = ( 0.4622946 0.5377054 -0.4622946), wk = 0.0038760 k( 139) = ( 0.4528683 0.5471317 -0.4528683), wk = 0.0038760 k( 140) = ( 0.4434419 0.5565581 -0.4434419), wk = 0.0038760 k( 141) = ( 0.4340156 0.5659844 -0.4340156), wk = 0.0038760 k( 142) = ( 0.4245892 0.5754108 -0.4245892), wk = 0.0038760 k( 143) = ( 0.4151629 0.5848371 -0.4151629), wk = 0.0038760 k( 144) = ( 0.4057365 0.5942635 -0.4057365), wk = 0.0038760 k( 145) = ( 0.3963102 0.6036898 -0.3963102), wk = 0.0038760 k( 146) = ( 0.3868838 0.6131162 -0.3868838), wk = 0.0038760 k( 147) = ( 0.3774575 0.6225425 -0.3774575), wk = 0.0038760 k( 148) = ( 0.3680312 0.6319688 -0.3680312), wk = 0.0038760 k( 149) = ( 0.3586048 0.6413952 -0.3586048), wk = 0.0038760 k( 150) = ( 0.3491785 0.6508215 -0.3491785), wk = 0.0038760 k( 151) = ( 0.3397521 0.6602479 -0.3397521), wk = 0.0038760 k( 152) = ( 0.3303258 0.6696742 -0.3303258), wk = 0.0038760 k( 153) = ( 0.3208994 0.6791006 -0.3208994), wk = 0.0038760 k( 154) = ( 0.3208994 0.6791006 -0.3208994), wk = 0.0038760 k( 155) = ( 0.3008432 0.6679068 -0.3008432), wk = 0.0038760 k( 156) = ( 0.2807870 0.6567130 -0.2807870), wk = 0.0038760 k( 157) = ( 0.2607308 0.6455192 -0.2607308), wk = 0.0038760 k( 158) = ( 0.2406746 0.6343254 -0.2406746), wk = 0.0038760 k( 159) = ( 0.2206184 0.6231316 -0.2206184), wk = 0.0038760 k( 160) = ( 0.2005621 0.6119379 -0.2005621), wk = 0.0038760 k( 161) = ( 0.1805059 0.6007441 -0.1805059), wk = 0.0038760 k( 162) = ( 0.1604497 0.5895503 -0.1604497), wk = 0.0038760 k( 163) = ( 0.1403935 0.5783565 -0.1403935), wk = 0.0038760 k( 164) = ( 0.1203373 0.5671627 -0.1203373), wk = 0.0038760 k( 165) = ( 0.1002811 0.5559689 -0.1002811), wk = 0.0038760 k( 166) = ( 0.0802249 0.5447751 -0.0802249), wk = 0.0038760 k( 167) = ( 0.0601686 0.5335814 -0.0601686), wk = 0.0038760 k( 168) = ( 0.0401124 0.5223876 -0.0401124), wk = 0.0038760 k( 169) = ( 0.0200562 0.5111938 -0.0200562), wk = 0.0038760 k( 170) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038760 k( 171) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038760 k( 172) = ( 0.0096154 0.4903846 0.0096154), wk = 0.0038760 k( 173) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0038760 k( 174) = ( 0.0288462 0.4711538 0.0288462), wk = 0.0038760 k( 175) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0038760 k( 176) = ( 0.0480769 0.4519231 0.0480769), wk = 0.0038760 k( 177) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0038760 k( 178) = ( 0.0673077 0.4326923 0.0673077), wk = 0.0038760 k( 179) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0038760 k( 180) = ( 0.0865385 0.4134615 0.0865385), wk = 0.0038760 k( 181) = ( 0.0961538 0.4038462 0.0961539), wk = 0.0038760 k( 182) = ( 0.1057692 0.3942308 0.1057692), wk = 0.0038760 k( 183) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0038760 k( 184) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0038760 k( 185) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0038760 k( 186) = ( 0.1442308 0.3557692 0.1442308), wk = 0.0038760 k( 187) = ( 0.1538461 0.3461538 0.1538461), wk = 0.0038760 k( 188) = ( 0.1634615 0.3365385 0.1634615), wk = 0.0038760 k( 189) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0038760 k( 190) = ( 0.1826923 0.3173077 0.1826923), wk = 0.0038760 k( 191) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0038760 k( 192) = ( 0.2019231 0.2980769 0.2019231), wk = 0.0038760 k( 193) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0038760 k( 194) = ( 0.2211539 0.2788462 0.2211539), wk = 0.0038760 k( 195) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0038760 k( 196) = ( 0.2403846 0.2596154 0.2403846), wk = 0.0038760 k( 197) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038760 k( 198) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038760 k( 199) = ( 0.2638889 0.2638889 0.2282334), wk = 0.0038760 k( 200) = ( 0.2777778 0.2777778 0.2064668), wk = 0.0038760 k( 201) = ( 0.2916667 0.2916667 0.1847002), wk = 0.0038760 k( 202) = ( 0.3055556 0.3055556 0.1629336), wk = 0.0038760 k( 203) = ( 0.3194444 0.3194444 0.1411670), wk = 0.0038760 k( 204) = ( 0.3333333 0.3333333 0.1194004), wk = 0.0038760 k( 205) = ( 0.3472222 0.3472222 0.0976338), wk = 0.0038760 k( 206) = ( 0.3611111 0.3611111 0.0758672), wk = 0.0038760 k( 207) = ( 0.3750000 0.3750000 0.0541006), wk = 0.0038760 k( 208) = ( 0.3888889 0.3888889 0.0323340), wk = 0.0038760 k( 209) = ( 0.4027778 0.4027778 0.0105674), wk = 0.0038760 k( 210) = ( 0.4166667 0.4166667 -0.0111992), wk = 0.0038760 k( 211) = ( 0.4305556 0.4305556 -0.0329658), wk = 0.0038760 k( 212) = ( 0.4444444 0.4444444 -0.0547324), wk = 0.0038760 k( 213) = ( 0.4583333 0.4583333 -0.0764990), wk = 0.0038760 k( 214) = ( 0.4722222 0.4722222 -0.0982656), wk = 0.0038760 k( 215) = ( 0.4861111 0.4861111 -0.1200322), wk = 0.0038760 k( 216) = ( 0.5000000 0.5000000 -0.1417989), wk = 0.0038760 k( 217) = ( 0.5000000 0.5000000 -0.1417989), wk = 0.0038760 k( 218) = ( 0.5000000 0.5000000 -0.1555758), wk = 0.0038760 k( 219) = ( 0.5000000 0.5000000 -0.1693528), wk = 0.0038760 k( 220) = ( 0.5000000 0.5000000 -0.1831298), wk = 0.0038760 k( 221) = ( 0.5000000 0.5000000 -0.1969067), wk = 0.0038760 k( 222) = ( 0.5000000 0.5000000 -0.2106837), wk = 0.0038760 k( 223) = ( 0.5000000 0.5000000 -0.2244607), wk = 0.0038760 k( 224) = ( 0.5000000 0.5000000 -0.2382376), wk = 0.0038760 k( 225) = ( 0.5000000 0.5000000 -0.2520146), wk = 0.0038760 k( 226) = ( 0.5000000 0.5000000 -0.2657916), wk = 0.0038760 k( 227) = ( 0.5000000 0.5000000 -0.2795685), wk = 0.0038760 k( 228) = ( 0.5000000 0.5000000 -0.2933455), wk = 0.0038760 k( 229) = ( 0.5000000 0.5000000 -0.3071225), wk = 0.0038760 k( 230) = ( 0.5000000 0.5000000 -0.3208994), wk = 0.0038760 k( 231) = ( 0.5000000 0.5000000 -0.3346764), wk = 0.0038760 k( 232) = ( 0.5000000 0.5000000 -0.3484534), wk = 0.0038760 k( 233) = ( 0.5000000 0.5000000 -0.3622303), wk = 0.0038760 k( 234) = ( 0.5000000 0.5000000 -0.3760073), wk = 0.0038760 k( 235) = ( 0.5000000 0.5000000 -0.3897843), wk = 0.0038760 k( 236) = ( 0.5000000 0.5000000 -0.4035612), wk = 0.0038760 k( 237) = ( 0.5000000 0.5000000 -0.4173382), wk = 0.0038760 k( 238) = ( 0.5000000 0.5000000 -0.4311152), wk = 0.0038760 k( 239) = ( 0.5000000 0.5000000 -0.4448921), wk = 0.0038760 k( 240) = ( 0.5000000 0.5000000 -0.4586691), wk = 0.0038760 k( 241) = ( 0.5000000 0.5000000 -0.4724461), wk = 0.0038760 k( 242) = ( 0.5000000 0.5000000 -0.4862230), wk = 0.0038760 k( 243) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038760 k( 244) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038760 k( 245) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0038760 k( 246) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0038760 k( 247) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0038760 k( 248) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0038760 k( 249) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0038760 k( 250) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0038760 k( 251) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0038760 k( 252) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0038760 k( 253) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0038760 k( 254) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0038760 k( 255) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0038760 k( 256) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0038760 k( 257) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0038760 k( 258) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038760 Dense grid: 91517 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 77987 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 428, 62) NL pseudopotentials 0.43 Mb ( 214, 132) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1908) G-vector shells 0.01 Mb ( 885) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.62 Mb ( 428, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.25 Mb ( 132, 2, 62) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./GaCuI4.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.6 secs Computing kpt #: 2 total cpu time spent up to now is 46.9 secs Computing kpt #: 3 total cpu time spent up to now is 50.0 secs Computing kpt #: 4 total cpu time spent up to now is 53.5 secs Computing kpt #: 5 total cpu time spent up to now is 56.6 secs Computing kpt #: 6 total cpu time spent up to now is 59.7 secs Computing kpt #: 7 total cpu time spent up to now is 63.2 secs Computing kpt #: 8 total cpu time spent up to now is 66.2 secs Computing kpt #: 9 total cpu time spent up to now is 69.6 secs Computing kpt #: 10 total cpu time spent up to now is 73.2 secs Computing kpt #: 11 total cpu time spent up to now is 76.9 secs Computing kpt #: 12 total cpu time spent up to now is 80.1 secs Computing kpt #: 13 total cpu time spent up to now is 83.3 secs Computing kpt #: 14 total cpu time spent up to now is 86.5 secs Computing kpt #: 15 total cpu time spent up to now is 89.7 secs Computing kpt #: 16 total cpu time spent up to now is 92.9 secs Computing kpt #: 17 total cpu time spent up to now is 96.0 secs Computing kpt #: 18 total cpu time spent up to now is 99.3 secs Computing kpt #: 19 total cpu time spent up to now is 102.5 secs Computing kpt #: 20 total cpu time spent up to now is 106.0 secs Computing kpt #: 21 total cpu time spent up to now is 109.8 secs Computing kpt #: 22 total cpu time spent up to now is 113.2 secs Computing kpt #: 23 total cpu time spent up to now is 116.5 secs Computing kpt #: 24 total cpu time spent up to now is 119.8 secs Computing kpt #: 25 total cpu time spent up to now is 123.1 secs Computing kpt #: 26 total cpu time spent up to now is 126.5 secs Computing kpt #: 27 total cpu time spent up to now is 130.0 secs Computing kpt #: 28 total cpu time spent up to now is 133.5 secs Computing kpt #: 29 total cpu time spent up to now is 138.3 secs Computing kpt #: 30 total cpu time spent up to now is 143.4 secs Computing kpt #: 31 total cpu time spent up to now is 148.4 secs Computing kpt #: 32 total cpu time spent up to now is 152.5 secs Computing kpt #: 33 total cpu time spent up to now is 156.0 secs Computing kpt #: 34 total cpu time spent up to now is 159.6 secs Computing kpt #: 35 total cpu time spent up to now is 163.0 secs Computing kpt #: 36 total cpu time spent up to now is 166.4 secs Computing kpt #: 37 total cpu time spent up to now is 169.7 secs Computing kpt #: 38 total cpu time spent up to now is 173.0 secs Computing kpt #: 39 total cpu time spent up to now is 176.2 secs Computing kpt #: 40 total cpu time spent up to now is 179.6 secs Computing kpt #: 41 total cpu time spent up to now is 183.1 secs Computing kpt #: 42 total cpu time spent up to now is 186.5 secs Computing kpt #: 43 total cpu time spent up to now is 190.2 secs Computing kpt #: 44 total cpu time spent up to now is 193.6 secs Computing kpt #: 45 total cpu time spent up to now is 196.8 secs Computing kpt #: 46 total cpu time spent up to now is 200.1 secs Computing kpt #: 47 total cpu time spent up to now is 203.3 secs Computing kpt #: 48 total cpu time spent up to now is 206.4 secs Computing kpt #: 49 total cpu time spent up to now is 209.6 secs Computing kpt #: 50 total cpu time spent up to now is 213.0 secs Computing kpt #: 51 total cpu time spent up to now is 216.2 secs Computing kpt #: 52 total cpu time spent up to now is 219.5 secs Computing kpt #: 53 total cpu time spent up to now is 222.7 secs Computing kpt #: 54 total cpu time spent up to now is 225.8 secs Computing kpt #: 55 total cpu time spent up to now is 228.9 secs Computing kpt #: 56 total cpu time spent up to now is 232.0 secs Computing kpt #: 57 total cpu time spent up to now is 235.2 secs Computing kpt #: 58 total cpu time spent up to now is 238.3 secs Computing kpt #: 59 total cpu time spent up to now is 241.5 secs Computing kpt #: 60 total cpu time spent up to now is 245.1 secs Computing kpt #: 61 total cpu time spent up to now is 248.7 secs Computing kpt #: 62 total cpu time spent up to now is 252.5 secs Computing kpt #: 63 total cpu time spent up to now is 255.8 secs Computing kpt #: 64 total cpu time spent up to now is 258.9 secs Computing kpt #: 65 total cpu time spent up to now is 262.0 secs Computing kpt #: 66 total cpu time spent up to now is 265.1 secs Computing kpt #: 67 total cpu time spent up to now is 268.2 secs Computing kpt #: 68 total cpu time spent up to now is 271.6 secs Computing kpt #: 69 total cpu time spent up to now is 274.7 secs Computing kpt #: 70 total cpu time spent up to now is 278.5 secs Computing kpt #: 71 total cpu time spent up to now is 281.9 secs Computing kpt #: 72 total cpu time spent up to now is 285.4 secs Computing kpt #: 73 total cpu time spent up to now is 288.7 secs Computing kpt #: 74 total cpu time spent up to now is 291.9 secs Computing kpt #: 75 total cpu time spent up to now is 295.0 secs Computing kpt #: 76 total cpu time spent up to now is 298.2 secs Computing kpt #: 77 total cpu time spent up to now is 301.3 secs Computing kpt #: 78 total cpu time spent up to now is 304.5 secs Computing kpt #: 79 total cpu time spent up to now is 307.7 secs Computing kpt #: 80 total cpu time spent up to now is 311.1 secs Computing kpt #: 81 total cpu time spent up to now is 314.4 secs Computing kpt #: 82 total cpu time spent up to now is 317.7 secs Computing kpt #: 83 total cpu time spent up to now is 321.1 secs Computing kpt #: 84 total cpu time spent up to now is 324.4 secs Computing kpt #: 85 total cpu time spent up to now is 327.6 secs Computing kpt #: 86 total cpu time spent up to now is 330.8 secs Computing kpt #: 87 total cpu time spent up to now is 333.9 secs Computing kpt #: 88 total cpu time spent up to now is 336.9 secs Computing kpt #: 89 total cpu time spent up to now is 340.2 secs Computing kpt #: 90 total cpu time spent up to now is 343.5 secs Computing kpt #: 91 total cpu time spent up to now is 346.9 secs Computing kpt #: 92 total cpu time spent up to now is 350.1 secs Computing kpt #: 93 total cpu time spent up to now is 353.4 secs Computing kpt #: 94 total cpu time spent up to now is 356.5 secs Computing kpt #: 95 total cpu time spent up to now is 359.7 secs Computing kpt #: 96 total cpu time spent up to now is 362.8 secs Computing kpt #: 97 total cpu time spent up to now is 365.8 secs Computing kpt #: 98 total cpu time spent up to now is 369.2 secs Computing kpt #: 99 total cpu time spent up to now is 372.3 secs Computing kpt #: 100 total cpu time spent up to now is 375.5 secs Computing kpt #: 101 total cpu time spent up to now is 378.8 secs Computing kpt #: 102 total cpu time spent up to now is 381.9 secs Computing kpt #: 103 total cpu time spent up to now is 385.1 secs Computing kpt #: 104 total cpu time spent up to now is 388.2 secs Computing kpt #: 105 total cpu time spent up to now is 391.3 secs Computing kpt #: 106 total cpu time spent up to now is 394.4 secs Computing kpt #: 107 total cpu time spent up to now is 397.3 secs Computing kpt #: 108 total cpu time spent up to now is 400.3 secs Computing kpt #: 109 total cpu time spent up to now is 403.4 secs Computing kpt #: 110 total cpu time spent up to now is 406.6 secs Computing kpt #: 111 total cpu time spent up to now is 409.9 secs Computing kpt #: 112 total cpu time spent up to now is 413.1 secs Computing kpt #: 113 total cpu time spent up to now is 416.3 secs Computing kpt #: 114 total cpu time spent up to now is 419.7 secs Computing kpt #: 115 total cpu time spent up to now is 422.7 secs Computing kpt #: 116 total cpu time spent up to now is 425.5 secs Computing kpt #: 117 total cpu time spent up to now is 428.7 secs Computing kpt #: 118 total cpu time spent up to now is 432.1 secs Computing kpt #: 119 total cpu time spent up to now is 434.8 secs Computing kpt #: 120 total cpu time spent up to now is 439.4 secs Computing kpt #: 121 total cpu time spent up to now is 443.7 secs Computing kpt #: 122 total cpu time spent up to now is 446.9 secs Computing kpt #: 123 total cpu time spent up to now is 449.9 secs Computing kpt #: 124 total cpu time spent up to now is 453.1 secs Computing kpt #: 125 total cpu time spent up to now is 456.2 secs Computing kpt #: 126 total cpu time spent up to now is 459.2 secs Computing kpt #: 127 total cpu time spent up to now is 462.3 secs Computing kpt #: 128 total cpu time spent up to now is 465.3 secs Computing kpt #: 129 total cpu time spent up to now is 468.4 secs Computing kpt #: 130 total cpu time spent up to now is 471.4 secs Computing kpt #: 131 total cpu time spent up to now is 474.2 secs Computing kpt #: 132 total cpu time spent up to now is 477.0 secs Computing kpt #: 133 total cpu time spent up to now is 479.9 secs Computing kpt #: 134 total cpu time spent up to now is 483.0 secs Computing kpt #: 135 total cpu time spent up to now is 486.4 secs Computing kpt #: 136 total cpu time spent up to now is 489.1 secs Computing kpt #: 137 total cpu time spent up to now is 491.8 secs Computing kpt #: 138 total cpu time spent up to now is 494.6 secs Computing kpt #: 139 total cpu time spent up to now is 497.3 secs Computing kpt #: 140 total cpu time spent up to now is 500.1 secs Computing kpt #: 141 total cpu time spent up to now is 502.8 secs Computing kpt #: 142 total cpu time spent up to now is 505.6 secs Computing kpt #: 143 total cpu time spent up to now is 508.4 secs Computing kpt #: 144 total cpu time spent up to now is 511.4 secs Computing kpt #: 145 total cpu time spent up to now is 514.2 secs Computing kpt #: 146 total cpu time spent up to now is 517.0 secs Computing kpt #: 147 total cpu time spent up to now is 520.1 secs Computing kpt #: 148 total cpu time spent up to now is 523.2 secs Computing kpt #: 149 total cpu time spent up to now is 526.3 secs Computing kpt #: 150 total cpu time spent up to now is 529.3 secs Computing kpt #: 151 total cpu time spent up to now is 532.6 secs Computing kpt #: 152 total cpu time spent up to now is 535.7 secs Computing kpt #: 153 total cpu time spent up to now is 538.8 secs Computing kpt #: 154 total cpu time spent up to now is 542.0 secs Computing kpt #: 155 total cpu time spent up to now is 545.2 secs Computing kpt #: 156 total cpu time spent up to now is 548.5 secs Computing kpt #: 157 total cpu time spent up to now is 551.9 secs Computing kpt #: 158 total cpu time spent up to now is 555.1 secs Computing kpt #: 159 total cpu time spent up to now is 558.6 secs Computing kpt #: 160 total cpu time spent up to now is 561.9 secs Computing kpt #: 161 total cpu time spent up to now is 565.1 secs Computing kpt #: 162 total cpu time spent up to now is 569.0 secs Computing kpt #: 163 total cpu time spent up to now is 572.2 secs Computing kpt #: 164 total cpu time spent up to now is 575.5 secs Computing kpt #: 165 total cpu time spent up to now is 578.9 secs Computing kpt #: 166 total cpu time spent up to now is 582.2 secs Computing kpt #: 167 total cpu time spent up to now is 585.4 secs Computing kpt #: 168 total cpu time spent up to now is 588.8 secs Computing kpt #: 169 total cpu time spent up to now is 592.1 secs Computing kpt #: 170 total cpu time spent up to now is 595.4 secs Computing kpt #: 171 total cpu time spent up to now is 598.6 secs Computing kpt #: 172 total cpu time spent up to now is 602.1 secs Computing kpt #: 173 total cpu time spent up to now is 605.4 secs Computing kpt #: 174 total cpu time spent up to now is 608.6 secs Computing kpt #: 175 total cpu time spent up to now is 612.0 secs Computing kpt #: 176 total cpu time spent up to now is 615.2 secs Computing kpt #: 177 total cpu time spent up to now is 618.5 secs Computing kpt #: 178 total cpu time spent up to now is 621.9 secs Computing kpt #: 179 total cpu time spent up to now is 625.2 secs Computing kpt #: 180 total cpu time spent up to now is 628.4 secs Computing kpt #: 181 total cpu time spent up to now is 631.6 secs Computing kpt #: 182 total cpu time spent up to now is 635.0 secs Computing kpt #: 183 total cpu time spent up to now is 638.3 secs Computing kpt #: 184 total cpu time spent up to now is 641.5 secs Computing kpt #: 185 total cpu time spent up to now is 644.8 secs Computing kpt #: 186 total cpu time spent up to now is 648.5 secs Computing kpt #: 187 total cpu time spent up to now is 652.1 secs Computing kpt #: 188 total cpu time spent up to now is 655.2 secs Computing kpt #: 189 total cpu time spent up to now is 658.6 secs Computing kpt #: 190 total cpu time spent up to now is 662.3 secs Computing kpt #: 191 total cpu time spent up to now is 665.6 secs Computing kpt #: 192 total cpu time spent up to now is 669.0 secs Computing kpt #: 193 total cpu time spent up to now is 672.5 secs Computing kpt #: 194 total cpu time spent up to now is 675.7 secs Computing kpt #: 195 total cpu time spent up to now is 679.0 secs Computing kpt #: 196 total cpu time spent up to now is 682.3 secs Computing kpt #: 197 total cpu time spent up to now is 685.5 secs Computing kpt #: 198 total cpu time spent up to now is 688.8 secs Computing kpt #: 199 total cpu time spent up to now is 692.2 secs Computing kpt #: 200 total cpu time spent up to now is 695.5 secs Computing kpt #: 201 total cpu time spent up to now is 698.9 secs Computing kpt #: 202 total cpu time spent up to now is 702.4 secs Computing kpt #: 203 total cpu time spent up to now is 705.8 secs Computing kpt #: 204 total cpu time spent up to now is 709.1 secs Computing kpt #: 205 total cpu time spent up to now is 712.4 secs Computing kpt #: 206 total cpu time spent up to now is 715.8 secs Computing kpt #: 207 total cpu time spent up to now is 719.1 secs Computing kpt #: 208 total cpu time spent up to now is 722.5 secs Computing kpt #: 209 total cpu time spent up to now is 725.8 secs Computing kpt #: 210 total cpu time spent up to now is 729.1 secs Computing kpt #: 211 total cpu time spent up to now is 732.4 secs Computing kpt #: 212 total cpu time spent up to now is 736.0 secs Computing kpt #: 213 total cpu time spent up to now is 741.2 secs Computing kpt #: 214 total cpu time spent up to now is 744.6 secs Computing kpt #: 215 total cpu time spent up to now is 747.7 secs Computing kpt #: 216 total cpu time spent up to now is 751.0 secs Computing kpt #: 217 total cpu time spent up to now is 754.3 secs Computing kpt #: 218 total cpu time spent up to now is 757.7 secs Computing kpt #: 219 total cpu time spent up to now is 762.1 secs Computing kpt #: 220 total cpu time spent up to now is 765.3 secs Computing kpt #: 221 total cpu time spent up to now is 768.5 secs Computing kpt #: 222 total cpu time spent up to now is 771.7 secs Computing kpt #: 223 total cpu time spent up to now is 774.8 secs Computing kpt #: 224 total cpu time spent up to now is 777.9 secs Computing kpt #: 225 total cpu time spent up to now is 781.1 secs Computing kpt #: 226 total cpu time spent up to now is 784.4 secs Computing kpt #: 227 total cpu time spent up to now is 787.6 secs Computing kpt #: 228 total cpu time spent up to now is 791.0 secs Computing kpt #: 229 total cpu time spent up to now is 794.3 secs Computing kpt #: 230 total cpu time spent up to now is 797.5 secs Computing kpt #: 231 total cpu time spent up to now is 800.6 secs Computing kpt #: 232 total cpu time spent up to now is 803.7 secs Computing kpt #: 233 total cpu time spent up to now is 806.8 secs Computing kpt #: 234 total cpu time spent up to now is 809.9 secs Computing kpt #: 235 total cpu time spent up to now is 812.7 secs Computing kpt #: 236 total cpu time spent up to now is 815.4 secs Computing kpt #: 237 total cpu time spent up to now is 818.2 secs Computing kpt #: 238 total cpu time spent up to now is 821.1 secs Computing kpt #: 239 total cpu time spent up to now is 823.8 secs Computing kpt #: 240 total cpu time spent up to now is 826.7 secs Computing kpt #: 241 total cpu time spent up to now is 829.5 secs Computing kpt #: 242 total cpu time spent up to now is 832.3 secs Computing kpt #: 243 total cpu time spent up to now is 835.0 secs Computing kpt #: 244 total cpu time spent up to now is 838.3 secs Computing kpt #: 245 total cpu time spent up to now is 841.8 secs Computing kpt #: 246 total cpu time spent up to now is 845.2 secs Computing kpt #: 247 total cpu time spent up to now is 849.6 secs Computing kpt #: 248 total cpu time spent up to now is 853.3 secs Computing kpt #: 249 total cpu time spent up to now is 857.1 secs Computing kpt #: 250 total cpu time spent up to now is 860.9 secs Computing kpt #: 251 total cpu time spent up to now is 864.3 secs Computing kpt #: 252 total cpu time spent up to now is 867.8 secs Computing kpt #: 253 total cpu time spent up to now is 872.1 secs Computing kpt #: 254 total cpu time spent up to now is 876.6 secs Computing kpt #: 255 total cpu time spent up to now is 880.1 secs Computing kpt #: 256 total cpu time spent up to now is 883.4 secs Computing kpt #: 257 total cpu time spent up to now is 886.7 secs Computing kpt #: 258 total cpu time spent up to now is 890.2 secs ethr = 1.92E-11, avg # of iterations = 24.9 total cpu time spent up to now is 890.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9741 PWs) bands (ev): -11.6238 -11.6238 -11.6200 -11.6200 -11.2134 -11.2134 -11.1404 -11.1404 -11.1366 -11.1366 -9.4184 -9.4184 -8.4009 -8.4009 -8.3982 -8.3982 -8.3214 -8.3214 -2.7599 -2.7599 -0.1365 -0.1365 -0.1286 -0.1286 0.2861 0.2861 0.3967 0.3967 0.8002 0.8002 1.0316 1.0316 1.4679 1.4679 1.5387 1.5387 2.0521 2.0521 2.1780 2.1780 2.2236 2.2236 2.8050 2.8050 2.8449 2.8449 3.4226 3.4226 3.8516 3.8516 3.8766 3.8766 5.4787 5.4787 7.0062 7.0062 7.2113 7.2113 8.4824 8.4824 8.5143 8.5143 k = 0.0000 0.0000 0.0225 ( 9733 PWs) bands (ev): -11.6238 -11.6238 -11.6200 -11.6200 -11.2135 -11.2134 -11.1404 -11.1404 -11.1366 -11.1365 -9.4178 -9.4178 -8.4013 -8.4013 -8.3987 -8.3985 -8.3216 -8.3214 -2.7597 -2.7592 -0.1474 -0.1437 -0.1300 -0.1118 0.2562 0.3150 0.3826 0.4137 0.7913 0.8112 1.0179 1.0481 1.4655 1.4681 1.5331 1.5441 2.0369 2.0673 2.1715 2.1826 2.2092 2.2384 2.8038 2.8069 2.8444 2.8466 3.4212 3.4224 3.8480 3.8493 3.8734 3.8763 5.4802 5.4852 7.0088 7.0100 7.2100 7.2193 8.4785 8.4841 8.5127 8.5143 k = 0.0000 0.0000 0.0449 ( 9731 PWs) bands (ev): -11.6238 -11.6238 -11.6201 -11.6200 -11.2135 -11.2134 -11.1404 -11.1403 -11.1366 -11.1366 -9.4161 -9.4160 -8.4025 -8.4024 -8.3999 -8.3994 -8.3219 -8.3215 -2.7586 -2.7576 -0.1679 -0.1518 -0.1248 -0.0973 0.2268 0.3401 0.3729 0.4336 0.7845 0.8238 1.0074 1.0670 1.4611 1.4661 1.5273 1.5494 2.0219 2.0821 2.1629 2.1841 2.1974 2.2529 2.8034 2.8094 2.8448 2.8492 3.4183 3.4206 3.8387 3.8403 3.8679 3.8729 5.4896 5.4992 7.0177 7.0202 7.2154 7.2342 8.4715 8.4836 8.5106 8.5127 k = 0.0000 0.0000 0.0674 ( 9735 PWs) bands (ev): -11.6238 -11.6238 -11.6201 -11.6201 -11.2136 -11.2134 -11.1404 -11.1403 -11.1366 -11.1366 -9.4132 -9.4131 -8.4045 -8.4043 -8.4016 -8.4009 -8.3223 -8.3217 -2.7566 -2.7552 -0.1899 -0.1606 -0.1211 -0.0853 0.1988 0.3510 0.3771 0.4569 0.7802 0.8378 1.0001 1.0881 1.4548 1.4619 1.5211 1.5547 2.0072 2.0957 2.1521 2.1771 2.1946 2.2672 2.8037 2.8123 2.8462 2.8531 3.4140 3.4172 3.8227 3.8242 3.8613 3.8674 5.5064 5.5201 7.0322 7.0363 7.2277 7.2563 8.4607 8.4800 8.5083 8.5119 k = 0.0000 0.0000 0.0899 ( 9727 PWs) bands (ev): -11.6238 -11.6238 -11.6201 -11.6201 -11.2136 -11.2134 -11.1405 -11.1403 -11.1366 -11.1366 -9.4091 -9.4091 -8.4074 -8.4070 -8.4038 -8.4031 -8.3229 -8.3221 -2.7539 -2.7519 -0.2131 -0.1702 -0.1196 -0.0762 0.1735 0.3485 0.3940 0.4838 0.7783 0.8529 0.9962 1.1108 1.4467 1.4556 1.5147 1.5597 1.9929 2.1055 2.1413 2.1667 2.1970 2.2813 2.8048 2.8156 2.8486 2.8581 3.4082 3.4120 3.7995 3.8032 3.8538 3.8604 5.5294 5.5465 7.0516 7.0576 7.2472 7.2857 8.4461 8.4716 8.5069 8.5133 k = 0.0000 0.0000 0.1123 ( 9739 PWs) bands (ev): -11.6239 -11.6238 -11.6201 -11.6201 -11.2137 -11.2134 -11.1405 -11.1403 -11.1366 -11.1366 -9.4040 -9.4039 -8.4113 -8.4106 -8.4064 -8.4057 -8.3236 -8.3227 -2.7505 -2.7479 -0.2375 -0.1808 -0.1208 -0.0702 0.1520 0.3463 0.4101 0.5137 0.7786 0.8687 0.9959 1.1345 1.4369 1.4473 1.5081 1.5645 1.9790 2.1046 2.1372 2.1564 2.2015 2.2952 2.8065 2.8192 2.8520 2.8644 3.4011 3.4051 3.7708 3.7782 3.8452 3.8521 5.5575 5.5771 7.0752 7.0832 7.2740 7.3226 8.4286 8.4579 8.5077 8.5167 k = 0.0000 0.0000 0.1348 ( 9743 PWs) bands (ev): -11.6239 -11.6238 -11.6201 -11.6201 -11.2138 -11.2134 -11.1406 -11.1403 -11.1367 -11.1366 -9.3977 -9.3976 -8.4159 -8.4150 -8.4095 -8.4087 -8.3245 -8.3234 -2.7464 -2.7433 -0.2628 -0.1928 -0.1252 -0.0673 0.1352 0.3471 0.4240 0.5459 0.7810 0.8851 0.9989 1.1587 1.4255 1.4372 1.5017 1.5688 1.9657 2.0927 2.1390 2.1479 2.2085 2.3089 2.8089 2.8232 2.8564 2.8719 3.3927 3.3964 3.7383 3.7503 3.8353 3.8423 5.5893 5.6103 7.1025 7.1121 7.3083 7.3665 8.4092 8.4402 8.5106 8.5218 k = 0.0000 0.0000 0.1572 ( 9735 PWs) bands (ev): -11.6239 -11.6238 -11.6202 -11.6201 -11.2139 -11.2134 -11.1406 -11.1402 -11.1367 -11.1366 -9.3903 -9.3902 -8.4213 -8.4202 -8.4131 -8.4123 -8.3256 -8.3244 -2.7418 -2.7380 -0.2889 -0.2068 -0.1326 -0.0672 0.1237 0.3509 0.4362 0.5796 0.7849 0.9019 1.0052 1.1823 1.4125 1.4255 1.4957 1.5725 1.9530 2.0779 2.1323 2.1482 2.2184 2.3223 2.8118 2.8277 2.8618 2.8806 3.3827 3.3863 3.7036 3.7209 3.8241 3.8311 5.6233 5.6447 7.1329 7.1436 7.3499 7.4169 8.3887 8.4196 8.5153 8.5284 k = 0.0000 0.0000 0.1797 ( 9725 PWs) bands (ev): -11.6239 -11.6238 -11.6202 -11.6202 -11.2140 -11.2135 -11.1406 -11.1402 -11.1367 -11.1366 -9.3819 -9.3818 -8.4274 -8.4260 -8.4170 -8.4162 -8.3269 -8.3256 -2.7368 -2.7323 -0.3156 -0.2235 -0.1420 -0.0697 0.1174 0.3570 0.4478 0.6142 0.7900 0.9190 1.0146 1.2041 1.3983 1.4129 1.4908 1.5756 1.9411 2.0635 2.1215 2.1508 2.2305 2.3352 2.8152 2.8327 2.8683 2.8905 3.3711 3.3752 3.6679 3.6912 3.8117 3.8185 5.6581 5.6789 7.1662 7.1771 7.3978 7.4728 8.3681 8.3970 8.5219 8.5368 k = 0.0000 0.0000 0.2022 ( 9725 PWs) bands (ev): -11.6240 -11.6239 -11.6202 -11.6202 -11.2141 -11.2135 -11.1406 -11.1402 -11.1367 -11.1366 -9.3725 -9.3723 -8.4341 -8.4325 -8.4214 -8.4205 -8.3285 -8.3270 -2.7314 -2.7262 -0.3429 -0.2435 -0.1521 -0.0743 0.1156 0.3638 0.4604 0.6493 0.7956 0.9362 1.0269 1.2222 1.3833 1.4004 1.4872 1.5780 1.9301 2.0510 2.1104 2.1528 2.2437 2.3473 2.8189 2.8383 2.8758 2.9014 3.3576 3.3635 3.6324 3.6620 3.7982 3.8046 5.6926 5.7116 7.2020 7.2125 7.4509 7.5329 8.3480 8.3733 8.5305 8.5469 k = 0.0000 0.0000 0.2246 ( 9745 PWs) bands (ev): -11.6241 -11.6239 -11.6203 -11.6202 -11.2142 -11.2136 -11.1407 -11.1402 -11.1367 -11.1367 -9.3620 -9.3619 -8.4413 -8.4396 -8.4261 -8.4253 -8.3303 -8.3288 -2.7259 -2.7199 -0.3705 -0.2670 -0.1614 -0.0803 0.1173 0.3697 0.4755 0.6844 0.8013 0.9537 1.0416 1.2340 1.3676 1.3900 1.4857 1.5797 1.9201 2.0409 2.0996 2.1547 2.2571 2.3582 2.8229 2.8445 2.8845 2.9134 3.3427 3.3515 3.5980 3.6341 3.7837 3.7895 5.7255 5.7419 7.2396 7.2497 7.5077 7.5957 8.3291 8.3492 8.5413 8.5591 k = 0.0000 0.0000 0.2471 ( 9739 PWs) bands (ev): -11.6241 -11.6240 -11.6203 -11.6203 -11.2144 -11.2136 -11.1407 -11.1402 -11.1367 -11.1367 -9.3507 -9.3504 -8.4490 -8.4472 -8.4312 -8.4303 -8.3325 -8.3309 -2.7203 -2.7134 -0.3984 -0.2937 -0.1692 -0.0874 0.1215 0.3730 0.4943 0.7189 0.8071 0.9712 1.0586 1.2363 1.3514 1.3848 1.4864 1.5810 1.9110 2.0340 2.0895 2.1571 2.2697 2.3677 2.8273 2.8513 2.8943 2.9264 3.3269 3.3394 3.5656 3.6079 3.7684 3.7734 5.7560 5.7689 7.2785 7.2886 7.5665 7.6596 8.3120 8.3254 8.5546 8.5734 k = 0.0000 0.0000 0.2696 ( 9729 PWs) bands (ev): -11.6242 -11.6240 -11.6203 -11.6203 -11.2145 -11.2137 -11.1407 -11.1402 -11.1367 -11.1367 -9.3384 -9.3381 -8.4571 -8.4552 -8.4366 -8.4357 -8.3350 -8.3333 -2.7147 -2.7070 -0.4265 -0.3230 -0.1752 -0.0948 0.1273 0.3728 0.5174 0.7510 0.8138 0.9889 1.0774 1.2280 1.3345 1.3863 1.4898 1.5822 1.9026 2.0307 2.0805 2.1603 2.2809 2.3754 2.8319 2.8587 2.9051 2.9403 3.3109 3.3274 3.5358 3.5837 3.7524 3.7565 5.7834 5.7922 7.3177 7.3288 7.6259 7.7231 8.2973 8.3026 8.5707 8.5901 k = 0.0000 0.0000 0.2920 ( 9737 PWs) bands (ev): -11.6242 -11.6240 -11.6204 -11.6203 -11.2146 -11.2138 -11.1408 -11.1402 -11.1368 -11.1367 -9.3252 -9.3250 -8.4655 -8.4635 -8.4423 -8.4413 -8.3378 -8.3360 -2.7093 -2.7008 -0.4546 -0.3541 -0.1793 -0.1020 0.1338 0.3691 0.5443 0.7755 0.8261 1.0066 1.0973 1.2109 1.3177 1.3931 1.4956 1.5837 1.8945 2.0315 2.0729 2.1648 2.2901 2.3810 2.8368 2.8666 2.9167 2.9551 3.2951 3.3161 3.5091 3.5614 3.7358 3.7388 5.8067 5.8116 7.3564 7.3696 7.6844 7.7845 8.2810 8.2858 8.5896 8.6093 k = 0.0000 0.0000 0.3145 ( 9745 PWs) bands (ev): -11.6243 -11.6241 -11.6204 -11.6204 -11.2147 -11.2138 -11.1408 -11.1402 -11.1368 -11.1367 -9.3113 -9.3110 -8.4742 -8.4721 -8.4482 -8.4471 -8.3411 -8.3392 -2.7042 -2.6948 -0.4827 -0.3862 -0.1817 -0.1087 0.1406 0.3623 0.5740 0.7860 0.8497 1.0241 1.1165 1.1893 1.3019 1.4029 1.5033 1.5860 1.8862 2.0368 2.0668 2.1709 2.2972 2.3841 2.8418 2.8751 2.9288 2.9707 3.2802 3.3059 3.4859 3.5411 3.7189 3.7207 5.8238 5.8287 7.3935 7.4098 7.7406 7.8422 8.2618 8.2773 8.6115 8.6310 k = 0.0000 0.0000 0.3369 ( 9753 PWs) bands (ev): -11.6244 -11.6241 -11.6205 -11.6205 -11.2149 -11.2139 -11.1409 -11.1402 -11.1368 -11.1368 -9.2967 -9.2964 -8.4831 -8.4809 -8.4542 -8.4531 -8.3448 -8.3428 -2.6994 -2.6891 -0.5106 -0.4191 -0.1824 -0.1144 0.1471 0.3530 0.6053 0.7866 0.8803 1.0407 1.1286 1.1723 1.2882 1.4147 1.5118 1.5897 1.8774 2.0467 2.0622 2.1786 2.3017 2.3846 2.8471 2.8840 2.9410 2.9870 3.2669 3.2973 3.4664 3.5229 3.7017 3.7024 5.8344 5.8436 7.4282 7.4482 7.7936 7.8950 8.2452 8.2724 8.6364 8.6549 k = 0.0000 0.0000 0.3594 ( 9753 PWs) bands (ev): -11.6244 -11.6241 -11.6205 -11.6205 -11.2150 -11.2140 -11.1409 -11.1402 -11.1369 -11.1368 -9.2814 -9.2810 -8.4921 -8.4898 -8.4604 -8.4592 -8.3489 -8.3468 -2.6950 -2.6839 -0.5384 -0.4521 -0.1816 -0.1191 0.1530 0.3416 0.6366 0.7827 0.9119 1.0537 1.1203 1.1767 1.2781 1.4280 1.5202 1.5954 1.8680 2.0579 2.0622 2.1880 2.3037 2.3824 2.8525 2.8933 2.9530 3.0040 3.2555 3.2906 3.4507 3.5067 3.6836 3.6845 5.8400 5.8547 7.4594 7.4832 7.8425 7.9418 8.2319 8.2716 8.6639 8.6808 k = 0.0000 0.0000 0.3819 ( 9753 PWs) bands (ev): -11.6245 -11.6242 -11.6206 -11.6205 -11.2152 -11.2141 -11.1409 -11.1402 -11.1369 -11.1368 -9.2655 -9.2651 -8.5011 -8.4987 -8.4666 -8.4654 -8.3534 -8.3513 -2.6911 -2.6793 -0.5658 -0.4849 -0.1794 -0.1224 0.1583 0.3289 0.6649 0.7782 0.9404 1.0550 1.1127 1.1913 1.2735 1.4430 1.5276 1.6033 1.8582 2.0561 2.0804 2.1989 2.3032 2.3775 2.8579 2.9029 2.9645 3.0212 3.2465 3.2860 3.4391 3.4927 3.6652 3.6672 5.8412 5.8615 7.4862 7.5135 7.8866 7.9815 8.2226 8.2753 8.6935 8.7082 k = 0.0000 0.0000 0.4043 ( 9749 PWs) bands (ev): -11.6245 -11.6242 -11.6206 -11.6206 -11.2153 -11.2141 -11.1410 -11.1402 -11.1369 -11.1368 -9.2491 -9.2487 -8.5100 -8.5076 -8.4729 -8.4716 -8.3584 -8.3563 -2.6877 -2.6752 -0.5928 -0.5174 -0.1762 -0.1245 0.1628 0.3154 0.6846 0.7781 0.9582 1.0458 1.1225 1.2043 1.2760 1.4599 1.5339 1.6133 1.8479 2.0545 2.1029 2.2108 2.3010 2.3699 2.8632 2.9126 2.9752 3.0383 3.2404 3.2837 3.4316 3.4811 3.6470 3.6500 5.8382 5.8641 7.5077 7.5376 7.9252 8.0130 8.2183 8.2843 8.7246 8.7366 k = 0.0000 0.0000 0.4268 ( 9747 PWs) bands (ev): -11.6246 -11.6243 -11.6206 -11.6206 -11.2154 -11.2142 -11.1410 -11.1403 -11.1369 -11.1369 -9.2323 -9.2319 -8.5188 -8.5164 -8.4791 -8.4778 -8.3639 -8.3617 -2.6848 -2.6718 -0.6192 -0.5493 -0.1723 -0.1253 0.1668 0.3017 0.6889 0.7883 0.9530 1.0502 1.1407 1.2139 1.2854 1.4788 1.5398 1.6251 1.8376 2.0535 2.1285 2.2221 2.2981 2.3599 2.8683 2.9221 2.9851 3.0547 3.2374 3.2836 3.4281 3.4722 3.6292 3.6331 5.8312 5.8624 7.5233 7.5548 7.9572 8.0354 8.2204 8.2992 8.7565 8.7656 k = 0.0000 0.0000 0.4493 ( 9755 PWs) bands (ev): -11.6247 -11.6243 -11.6207 -11.6207 -11.2155 -11.2143 -11.1410 -11.1403 -11.1369 -11.1369 -9.2152 -9.2148 -8.5274 -8.5249 -8.4853 -8.4839 -8.3700 -8.3677 -2.6825 -2.6690 -0.6450 -0.5804 -0.1680 -0.1251 0.1703 0.2886 0.6789 0.8053 0.9308 1.0699 1.1618 1.2227 1.2987 1.4991 1.5460 1.6380 1.8274 2.0530 2.1565 2.2303 2.2974 2.3480 2.8731 2.9310 2.9945 3.0698 3.2378 3.2857 3.4285 3.4662 3.6120 3.6165 5.8205 5.8566 7.5327 7.5645 7.9811 8.0483 8.2303 8.3202 8.7887 8.7947 k = 0.0000 0.0000 0.4717 ( 9751 PWs) bands (ev): -11.6247 -11.6244 -11.6207 -11.6207 -11.2156 -11.2144 -11.1410 -11.1403 -11.1369 -11.1369 -9.1979 -9.1974 -8.5357 -8.5332 -8.4914 -8.4899 -8.3765 -8.3741 -2.6806 -2.6668 -0.6700 -0.6105 -0.1638 -0.1240 0.1736 0.2766 0.6609 0.8170 0.9102 1.0946 1.1829 1.2340 1.3128 1.5191 1.5546 1.6518 1.8177 2.0528 2.1858 2.2317 2.3027 2.3347 2.8774 2.9391 3.0035 3.0832 3.2418 3.2898 3.4322 3.4635 3.5956 3.6006 5.8063 5.8469 7.5356 7.5668 7.9959 8.0523 8.2486 8.3464 8.8208 8.8240 k = 0.0000 0.0000 0.4942 ( 9759 PWs) bands (ev): -11.6248 -11.6244 -11.6207 -11.6207 -11.2158 -11.2145 -11.1411 -11.1403 -11.1370 -11.1369 -9.1805 -9.1800 -8.5436 -8.5411 -8.4973 -8.4957 -8.3835 -8.3810 -2.6793 -2.6652 -0.6941 -0.6396 -0.1601 -0.1224 0.1770 0.2667 0.6388 0.8095 0.9059 1.1208 1.2011 1.2505 1.3262 1.5349 1.5692 1.6663 1.8088 2.0526 2.2123 2.2285 2.3140 2.3222 2.8811 2.9457 3.0126 3.0946 3.2492 3.2960 3.4382 3.4645 3.5801 3.5857 5.7890 5.8334 7.5320 7.5617 8.0023 8.0490 8.2744 8.3759 8.8524 8.8541 k = 0.0000 0.0000 0.5166 ( 9755 PWs) bands (ev): -11.6248 -11.6245 -11.6208 -11.6208 -11.2158 -11.2146 -11.1411 -11.1404 -11.1370 -11.1369 -9.1631 -9.1626 -8.5510 -8.5485 -8.5030 -8.5013 -8.3909 -8.3885 -2.6784 -2.6643 -0.7172 -0.6674 -0.1571 -0.1208 0.1804 0.2593 0.6147 0.7846 0.9165 1.1479 1.2148 1.2721 1.3385 1.5448 1.5911 1.6813 1.8009 2.0523 2.2091 2.2479 2.3082 2.3335 2.8840 2.9505 3.0222 3.1040 3.2596 3.3042 3.4450 3.4697 3.5656 3.5724 5.7687 5.8164 7.5220 7.5500 8.0019 8.0403 8.3052 8.4064 8.8829 8.8863 k = 0.0000 0.0000 0.5391 ( 9759 PWs) bands (ev): -11.6249 -11.6245 -11.6208 -11.6208 -11.2159 -11.2147 -11.1411 -11.1404 -11.1370 -11.1370 -9.1459 -9.1453 -8.5580 -8.5555 -8.5084 -8.5066 -8.3988 -8.3963 -2.6779 -2.6639 -0.7393 -0.6939 -0.1552 -0.1194 0.1839 0.2550 0.5901 0.7538 0.9310 1.1753 1.2249 1.2961 1.3505 1.5515 1.6163 1.6967 1.7945 2.0515 2.1944 2.2646 2.3080 2.3533 2.8862 2.9533 3.0323 3.1117 3.2725 3.3143 3.4513 3.4789 3.5520 3.5619 5.7460 5.7961 7.5058 7.5321 7.9970 8.0283 8.3382 8.4358 8.9143 8.9200 k = 0.0000 0.0000 0.5616 ( 9759 PWs) bands (ev): -11.6249 -11.6246 -11.6209 -11.6208 -11.2160 -11.2149 -11.1410 -11.1404 -11.1370 -11.1370 -9.1289 -9.1284 -8.5643 -8.5618 -8.5134 -8.5116 -8.4072 -8.4046 -2.6777 -2.6640 -0.7601 -0.7190 -0.1544 -0.1189 0.1875 0.2539 0.5661 0.7225 0.9447 1.2016 1.2331 1.3186 1.3643 1.5571 1.6416 1.7128 1.7900 2.0493 2.1785 2.2602 2.3296 2.3747 2.8875 2.9541 3.0431 3.1180 3.2872 3.3261 3.4562 3.4909 3.5397 3.5553 5.7212 5.7729 7.4838 7.5086 7.9895 8.0148 8.3707 8.4622 8.9475 8.9556 k = 0.0000 0.0000 0.5840 ( 9751 PWs) bands (ev): -11.6250 -11.6246 -11.6209 -11.6208 -11.2161 -11.2149 -11.1411 -11.1404 -11.1370 -11.1370 -9.1124 -9.1119 -8.5700 -8.5675 -8.5182 -8.5162 -8.4159 -8.4132 -2.6778 -2.6645 -0.7795 -0.7426 -0.1546 -0.1194 0.1912 0.2556 0.5440 0.6927 0.9563 1.2193 1.2459 1.3365 1.3820 1.5622 1.6648 1.7299 1.7877 2.0450 2.1635 2.2486 2.3589 2.3970 2.8880 2.9528 3.0543 3.1235 3.3031 3.3390 3.4591 3.5023 3.5308 3.5537 5.6949 5.7473 7.4568 7.4801 7.9810 8.0012 8.4007 8.4841 8.9833 8.9938 k = 0.0000 0.0000 0.6065 ( 9745 PWs) bands (ev): -11.6250 -11.6247 -11.6209 -11.6209 -11.2161 -11.2150 -11.1411 -11.1404 -11.1370 -11.1370 -9.0966 -9.0961 -8.5750 -8.5726 -8.5224 -8.5204 -8.4249 -8.4222 -2.6780 -2.6654 -0.7976 -0.7646 -0.1557 -0.1212 0.1952 0.2589 0.5248 0.6658 0.9657 1.2218 1.2688 1.3500 1.4035 1.5668 1.6840 1.7483 1.7881 2.0373 2.1512 2.2365 2.3889 2.4196 2.8878 2.9499 3.0658 3.1283 3.3195 3.3525 3.4599 3.5046 3.5334 3.5575 5.6676 5.7197 7.4256 7.4475 7.9724 7.9886 8.4266 8.5006 9.0223 9.0349 k = 0.0000 0.0000 0.6290 ( 9741 PWs) bands (ev): -11.6250 -11.6247 -11.6209 -11.6209 -11.2161 -11.2151 -11.1410 -11.1405 -11.1370 -11.1370 -9.0815 -9.0810 -8.5793 -8.5769 -8.5262 -8.5240 -8.4341 -8.4314 -2.6784 -2.6665 -0.8141 -0.7848 -0.1574 -0.1242 0.1993 0.2623 0.5098 0.6423 0.9733 1.2161 1.2940 1.3613 1.4264 1.5710 1.6988 1.7668 1.7919 2.0258 2.1429 2.2256 2.4179 2.4424 2.8869 2.9454 3.0774 3.1328 3.3356 3.3656 3.4593 3.4979 3.5469 3.5660 5.6399 5.6908 7.3916 7.4118 7.9646 7.9776 8.4476 8.5114 9.0646 9.0778 k = 0.0000 0.0000 0.6514 ( 9721 PWs) bands (ev): -11.6250 -11.6247 -11.6209 -11.6209 -11.2161 -11.2152 -11.1410 -11.1405 -11.1370 -11.1370 -9.0673 -9.0668 -8.5827 -8.5805 -8.5295 -8.5272 -8.4434 -8.4407 -2.6789 -2.6679 -0.8290 -0.8033 -0.1595 -0.1282 0.2034 0.2644 0.5000 0.6227 0.9794 1.2053 1.3177 1.3718 1.4489 1.5746 1.7100 1.7811 1.8018 2.0107 2.1388 2.2165 2.4450 2.4649 2.8856 2.9397 3.0888 3.1370 3.3507 3.3772 3.4590 3.4903 3.5630 3.5776 5.6126 5.6612 7.3559 7.3742 7.9579 7.9687 8.4632 8.5170 9.1059 9.1165 k = 0.0000 0.0000 0.6739 ( 9709 PWs) bands (ev): -11.6250 -11.6247 -11.6209 -11.6209 -11.2161 -11.2153 -11.1410 -11.1405 -11.1370 -11.1370 -9.0543 -9.0539 -8.5855 -8.5834 -8.5321 -8.5297 -8.4527 -8.4500 -2.6793 -2.6694 -0.8422 -0.8200 -0.1616 -0.1329 0.2072 0.2641 0.4960 0.6072 0.9845 1.1905 1.3389 1.3818 1.4702 1.5777 1.7189 1.7888 1.8179 1.9935 2.1381 2.2093 2.4697 2.4869 2.8840 2.9330 3.0999 3.1410 3.3639 3.3863 3.4604 3.4842 3.5795 3.5910 5.5865 5.6317 7.3202 7.3363 7.9527 7.9617 8.4738 8.5180 9.1138 9.1498 k = 0.0000 0.0000 0.6963 ( 9717 PWs) bands (ev): -11.6250 -11.6248 -11.6210 -11.6209 -11.2161 -11.2154 -11.1410 -11.1405 -11.1370 -11.1370 -9.0426 -9.0422 -8.5875 -8.5856 -8.5341 -8.5316 -8.4618 -8.4591 -2.6797 -2.6710 -0.8536 -0.8348 -0.1636 -0.1381 0.2105 0.2612 0.4977 0.5954 0.9893 1.1726 1.3572 1.3913 1.4899 1.5801 1.7268 1.7934 1.8348 1.9756 2.1400 2.2038 2.4919 2.5076 2.8824 2.9256 3.1104 3.1446 3.3742 3.3925 3.4639 3.4803 3.5954 3.6048 5.5622 5.6032 7.2857 7.2996 7.9489 7.9565 8.4801 8.5155 9.1088 9.1377 k = 0.0000 0.0000 0.7188 ( 9714 PWs) bands (ev): -11.6250 -11.6248 -11.6210 -11.6209 -11.2161 -11.2155 -11.1409 -11.1406 -11.1370 -11.1370 -9.0323 -9.0320 -8.5889 -8.5872 -8.5353 -8.5328 -8.4706 -8.4679 -2.6800 -2.6725 -0.8631 -0.8476 -0.1653 -0.1433 0.2131 0.2560 0.5039 0.5868 0.9945 1.1524 1.3725 1.3997 1.5079 1.5816 1.7345 1.7961 1.8499 1.9581 2.1440 2.1995 2.5115 2.5261 2.8810 2.9179 3.1201 3.1479 3.3811 3.3962 3.4690 3.4792 3.6103 3.6181 5.5407 5.5765 7.2539 7.2654 7.9465 7.9527 8.4831 8.5107 9.1037 9.1262 k = 0.0000 0.0000 0.7413 ( 9714 PWs) bands (ev): -11.6250 -11.6249 -11.6210 -11.6209 -11.2161 -11.2156 -11.1409 -11.1406 -11.1370 -11.1370 -9.0237 -9.0234 -8.5898 -8.5882 -8.5357 -8.5333 -8.4787 -8.4762 -2.6801 -2.6740 -0.8707 -0.8584 -0.1664 -0.1484 0.2152 0.2495 0.5133 0.5805 1.0008 1.1308 1.3852 1.4067 1.5239 1.5820 1.7423 1.7966 1.8627 1.9421 2.1496 2.1959 2.5285 2.5418 2.8800 2.9102 3.1289 3.1505 3.3851 3.3979 3.4744 3.4809 3.6236 3.6300 5.5227 5.5524 7.2261 7.2352 7.9451 7.9502 8.4840 8.5047 9.0999 9.1169 k = 0.0000 0.0000 0.7637 ( 9710 PWs) bands (ev): -11.6250 -11.6249 -11.6210 -11.6209 -11.2161 -11.2157 -11.1409 -11.1407 -11.1370 -11.1370 -9.0168 -9.0166 -8.5902 -8.5890 -8.5355 -8.5333 -8.4858 -8.4836 -2.6801 -2.6755 -0.8764 -0.8672 -0.1669 -0.1532 0.2171 0.2425 0.5243 0.5753 1.0088 1.1088 1.3954 1.4117 1.5381 1.5810 1.7505 1.7947 1.8734 1.9281 2.1562 2.1922 2.5428 2.5539 2.8797 2.9028 3.1364 3.1523 3.3874 3.3978 3.4794 3.4841 3.6348 3.6398 5.5088 5.5318 7.2034 7.2102 7.9445 7.9484 8.4839 8.4986 9.0975 9.1096 k = 0.0000 0.0000 0.7862 ( 9716 PWs) bands (ev): -11.6250 -11.6249 -11.6210 -11.6210 -11.2160 -11.2158 -11.1408 -11.1407 -11.1370 -11.1370 -9.0118 -9.0116 -8.5903 -8.5894 -8.5347 -8.5329 -8.4914 -8.4897 -2.6799 -2.6767 -0.8800 -0.8739 -0.1666 -0.1573 0.2192 0.2360 0.5358 0.5700 1.0193 1.0872 1.4035 1.4145 1.5502 1.5786 1.7591 1.7905 1.8823 1.9163 2.1634 2.1881 2.5541 2.5622 2.8805 2.8961 3.1427 3.1530 3.3891 3.3965 3.4836 3.4871 3.6435 3.6470 5.4996 5.5153 7.1868 7.1913 7.9446 7.9472 8.4836 8.4930 9.0963 9.1042 k = 0.0000 0.0000 0.8087 ( 9716 PWs) bands (ev): -11.6250 -11.6250 -11.6210 -11.6210 -11.2160 -11.2158 -11.1408 -11.1407 -11.1370 -11.1370 -9.0087 -9.0086 -8.5902 -8.5897 -8.5336 -8.5326 -8.4950 -8.4939 -2.6794 -2.6778 -0.8816 -0.8786 -0.1655 -0.1608 0.2219 0.2302 0.5466 0.5638 1.0324 1.0668 1.4094 1.4150 1.5603 1.5744 1.7679 1.7842 1.8903 1.9065 2.1706 2.1832 2.5620 2.5662 2.8825 2.8903 3.1474 3.1526 3.3907 3.3946 3.4868 3.4887 3.6493 3.6511 5.4956 5.5035 7.1770 7.1793 7.9450 7.9463 8.4840 8.4886 9.0964 9.1002 k = 0.0000 0.0000 0.8311 ( 9728 PWs) bands (ev): -11.6250 -11.6250 -11.6210 -11.6210 -11.2159 -11.2159 -11.1408 -11.1408 -11.1370 -11.1370 -9.0077 -9.0077 -8.5900 -8.5900 -8.5328 -8.5328 -8.4958 -8.4958 -2.6787 -2.6787 -0.8812 -0.8812 -0.1636 -0.1636 0.2255 0.2255 0.5560 0.5560 1.0484 1.0484 1.4133 1.4133 1.5683 1.5683 1.7764 1.7764 1.8981 1.8981 2.1773 2.1773 2.5661 2.5661 2.8857 2.8857 3.1507 3.1507 3.3926 3.3926 3.4886 3.4886 3.6519 3.6519 5.4969 5.4969 7.1744 7.1744 7.9456 7.9456 8.4856 8.4856 9.0977 9.0977 k = 0.0000 0.0000 0.8311 ( 9728 PWs) bands (ev): -11.6250 -11.6250 -11.6210 -11.6210 -11.2159 -11.2159 -11.1408 -11.1408 -11.1370 -11.1370 -9.0077 -9.0077 -8.5900 -8.5900 -8.5328 -8.5328 -8.4958 -8.4958 -2.6787 -2.6787 -0.8812 -0.8812 -0.1636 -0.1636 0.2255 0.2255 0.5560 0.5560 1.0484 1.0484 1.4133 1.4133 1.5683 1.5683 1.7764 1.7764 1.8981 1.8981 2.1773 2.1773 2.5661 2.5661 2.8857 2.8857 3.1507 3.1507 3.3926 3.3926 3.4886 3.4886 3.6519 3.6519 5.4969 5.4969 7.1744 7.1744 7.9456 7.9456 8.4856 8.4856 9.0977 9.0977 k =-0.0129 0.0171 0.8311 ( 9710 PWs) bands (ev): -11.6250 -11.6249 -11.6210 -11.6210 -11.2159 -11.2159 -11.1408 -11.1408 -11.1370 -11.1370 -9.0077 -9.0077 -8.5901 -8.5898 -8.5332 -8.5327 -8.4962 -8.4956 -2.6782 -2.6780 -0.8807 -0.8792 -0.1646 -0.1614 0.2233 0.2279 0.5450 0.5669 1.0388 1.0578 1.4055 1.4199 1.5595 1.5761 1.7714 1.7815 1.8945 1.9016 2.1747 2.1786 2.5592 2.5704 2.8831 2.8889 3.1458 3.1548 3.3905 3.3929 3.4875 3.4888 3.6506 3.6518 5.4982 5.4992 7.1749 7.1779 7.9475 7.9495 8.4823 8.4885 9.0870 9.0934 k =-0.0258 0.0342 0.8311 ( 9720 PWs) bands (ev): -11.6250 -11.6249 -11.6210 -11.6209 -11.2160 -11.2158 -11.1408 -11.1408 -11.1371 -11.1369 -9.0078 -9.0078 -8.5900 -8.5894 -8.5339 -8.5329 -8.4965 -8.4953 -2.6766 -2.6762 -0.8778 -0.8749 -0.1645 -0.1582 0.2211 0.2305 0.5341 0.5776 1.0289 1.0671 1.3965 1.4253 1.5494 1.5827 1.7664 1.7864 1.8908 1.9049 2.1709 2.1786 2.5499 2.5720 2.8809 2.8925 3.1399 3.1580 3.3866 3.3914 3.4852 3.4880 3.6481 3.6505 5.5032 5.5052 7.1793 7.1853 7.9552 7.9592 8.4786 8.4910 9.0620 9.0740 k =-0.0387 0.0513 0.8311 ( 9716 PWs) bands (ev): -11.6251 -11.6249 -11.6210 -11.6209 -11.2160 -11.2158 -11.1408 -11.1408 -11.1371 -11.1369 -9.0080 -9.0079 -8.5899 -8.5890 -8.5348 -8.5333 -8.4969 -8.4951 -2.6738 -2.6733 -0.8726 -0.8681 -0.1632 -0.1539 0.2191 0.2331 0.5233 0.5881 1.0189 1.0762 1.3863 1.4295 1.5380 1.5883 1.7617 1.7912 1.8870 1.9081 2.1660 2.1773 2.5385 2.5709 2.8788 2.8966 3.1334 3.1603 3.3810 3.3880 3.4819 3.4866 3.6443 3.6478 5.5116 5.5147 7.1875 7.1964 7.9685 7.9746 8.4743 8.4926 9.0240 9.0405 k =-0.0516 0.0685 0.8311 ( 9724 PWs) bands (ev): -11.6251 -11.6249 -11.6210 -11.6209 -11.2161 -11.2157 -11.1408 -11.1408 -11.1371 -11.1369 -9.0082 -9.0082 -8.5898 -8.5886 -8.5358 -8.5339 -8.4973 -8.4950 -2.6700 -2.6694 -0.8651 -0.8590 -0.1607 -0.1486 0.2171 0.2359 0.5129 0.5983 1.0086 1.0852 1.3750 1.4326 1.5253 1.5931 1.7573 1.7958 1.8831 1.9110 2.1603 2.1748 2.5253 2.5674 2.8766 2.9009 3.1263 3.1618 3.3736 3.3827 3.4777 3.4846 3.6393 3.6440 5.5231 5.5275 7.1992 7.2110 7.9869 7.9952 8.4690 8.4927 8.9749 8.9949 k =-0.0645 0.0856 0.8311 ( 9728 PWs) bands (ev): -11.6252 -11.6248 -11.6210 -11.6208 -11.2161 -11.2157 -11.1408 -11.1408 -11.1372 -11.1368 -9.0086 -9.0085 -8.5898 -8.5882 -8.5368 -8.5345 -8.4976 -8.4949 -2.6652 -2.6645 -0.8553 -0.8476 -0.1569 -0.1424 0.2150 0.2387 0.5029 0.6082 0.9980 1.0941 1.3625 1.4345 1.5113 1.5970 1.7532 1.8002 1.8791 1.9137 2.1540 2.1713 2.5107 2.5619 2.8738 2.9049 3.1188 3.1625 3.3645 3.3757 3.4727 3.4823 3.6333 3.6389 5.5375 5.5433 7.2141 7.2288 8.0100 8.0206 8.4620 8.4906 8.9173 8.9398 k =-0.0773 0.1027 0.8311 ( 9724 PWs) bands (ev): -11.6252 -11.6248 -11.6210 -11.6208 -11.2161 -11.2156 -11.1409 -11.1408 -11.1372 -11.1368 -9.0091 -9.0090 -8.5901 -8.5882 -8.5376 -8.5350 -8.4979 -8.4947 -2.6594 -2.6587 -0.8435 -0.8339 -0.1520 -0.1354 0.2128 0.2417 0.4935 0.6177 0.9871 1.1029 1.3490 1.4351 1.4962 1.6002 1.7495 1.8044 1.8749 1.9160 2.1473 2.1670 2.4951 2.5547 2.8704 2.9082 3.1113 3.1625 3.3539 3.3669 3.4671 3.4797 3.6262 3.6328 5.5543 5.5617 7.2318 7.2493 8.0372 8.0502 8.4528 8.4857 8.8532 8.8781 k =-0.0902 0.1198 0.8311 ( 9732 PWs) bands (ev): -11.6252 -11.6248 -11.6210 -11.6208 -11.2161 -11.2155 -11.1409 -11.1408 -11.1372 -11.1367 -9.0097 -9.0096 -8.5909 -8.5885 -8.5380 -8.5353 -8.4980 -8.4945 -2.6529 -2.6522 -0.8296 -0.8181 -0.1457 -0.1277 0.2103 0.2450 0.4850 0.6267 0.9760 1.1116 1.3345 1.4342 1.4805 1.6028 1.7462 1.8086 1.8705 1.9179 2.1407 2.1622 2.4786 2.5463 2.8660 2.9104 3.1040 3.1617 3.3420 3.3567 3.4612 3.4770 3.6182 3.6256 5.5729 5.5824 7.2517 7.2720 8.0676 8.0832 8.4406 8.4771 8.7848 8.8121 k =-0.1031 0.1369 0.8311 ( 9730 PWs) bands (ev): -11.6252 -11.6247 -11.6210 -11.6207 -11.2161 -11.2155 -11.1409 -11.1408 -11.1372 -11.1367 -9.0105 -9.0103 -8.5923 -8.5895 -8.5378 -8.5351 -8.4980 -8.4943 -2.6457 -2.6452 -0.8138 -0.8003 -0.1383 -0.1195 0.2072 0.2486 0.4777 0.6353 0.9647 1.1201 1.3190 1.4307 1.4652 1.6048 1.7432 1.8128 1.8660 1.9192 2.1344 2.1571 2.4617 2.5369 2.8606 2.9110 3.0973 3.1601 3.3291 3.3454 3.4551 3.4741 3.6095 3.6175 5.5929 5.6047 7.2732 7.2963 8.1001 8.1185 8.4249 8.4643 8.7136 8.7439 k =-0.1160 0.1540 0.8311 ( 9736 PWs) bands (ev): -11.6253 -11.6247 -11.6210 -11.6207 -11.2161 -11.2154 -11.1409 -11.1408 -11.1372 -11.1367 -9.0115 -9.0113 -8.5945 -8.5913 -8.5368 -8.5342 -8.4979 -8.4939 -2.6381 -2.6377 -0.7963 -0.7805 -0.1295 -0.1108 0.2034 0.2528 0.4716 0.6434 0.9531 1.1286 1.3028 1.4225 1.4530 1.6065 1.7404 1.8171 1.8613 1.9198 2.1287 2.1520 2.4445 2.5270 2.8542 2.9094 3.0914 3.1576 3.3154 3.3333 3.4488 3.4710 3.6001 3.6085 5.6137 5.6281 7.2958 7.3217 8.1334 8.1546 8.4052 8.4470 8.6413 8.6752 k =-0.1289 0.1712 0.8311 ( 9728 PWs) bands (ev): -11.6253 -11.6247 -11.6210 -11.6206 -11.2161 -11.2153 -11.1409 -11.1408 -11.1372 -11.1366 -9.0127 -9.0125 -8.5974 -8.5939 -8.5351 -8.5326 -8.4975 -8.4933 -2.6301 -2.6299 -0.7772 -0.7589 -0.1195 -0.1021 0.1986 0.2578 0.4670 0.6510 0.9413 1.1369 1.2858 1.4080 1.4457 1.6080 1.7376 1.8216 1.8563 1.9197 2.1238 2.1474 2.4273 2.5168 2.8469 2.9056 3.0864 3.1542 3.3015 3.3209 3.4425 3.4677 3.5902 3.5989 5.6347 5.6521 7.3187 7.3475 8.1653 8.1895 8.3818 8.4257 8.5690 8.6073 k =-0.1418 0.1883 0.8311 ( 9714 PWs) bands (ev): -11.6253 -11.6246 -11.6210 -11.6206 -11.2161 -11.2152 -11.1409 -11.1408 -11.1372 -11.1366 -9.0142 -9.0140 -8.6012 -8.5974 -8.5326 -8.5302 -8.4968 -8.4925 -2.6221 -2.6218 -0.7568 -0.7357 -0.1083 -0.0934 0.1927 0.2641 0.4640 0.6581 0.9293 1.1451 1.2682 1.3896 1.4413 1.6094 1.7347 1.8264 1.8511 1.9187 2.1198 2.1434 2.4103 2.5066 2.8387 2.8994 3.0823 3.1496 3.2875 3.3087 3.4361 3.4642 3.5799 3.5886 5.6554 5.6760 7.3411 7.3729 8.1920 8.2202 8.3556 8.4027 8.4987 8.5415 k =-0.1418 0.1883 0.8311 ( 9714 PWs) bands (ev): -11.6253 -11.6246 -11.6210 -11.6206 -11.2161 -11.2152 -11.1409 -11.1408 -11.1372 -11.1366 -9.0142 -9.0140 -8.6012 -8.5974 -8.5326 -8.5302 -8.4968 -8.4925 -2.6221 -2.6218 -0.7568 -0.7357 -0.1083 -0.0934 0.1927 0.2641 0.4640 0.6581 0.9293 1.1451 1.2682 1.3896 1.4413 1.6094 1.7347 1.8264 1.8511 1.9187 2.1198 2.1434 2.4103 2.5066 2.8387 2.8994 3.0823 3.1496 3.2875 3.3087 3.4361 3.4642 3.5799 3.5886 5.6554 5.6760 7.3411 7.3729 8.1920 8.2202 8.3556 8.4027 8.4987 8.5415 k =-0.1512 0.2008 0.8155 ( 9727 PWs) bands (ev): -11.6253 -11.6246 -11.6210 -11.6205 -11.2161 -11.2151 -11.1409 -11.1408 -11.1372 -11.1366 -9.0157 -9.0155 -8.6044 -8.6004 -8.5300 -8.5285 -8.4956 -8.4914 -2.6167 -2.6153 -0.7414 -0.7161 -0.1018 -0.0809 0.1854 0.2699 0.4594 0.6632 0.9127 1.1606 1.2506 1.3745 1.4352 1.6074 1.7341 1.8248 1.8499 1.9175 2.1241 2.1472 2.3992 2.5045 2.8303 2.8901 3.0821 3.1446 3.2787 3.2997 3.4282 3.4616 3.5663 3.5783 5.6714 5.6968 7.3554 7.3903 8.1843 8.2218 8.3541 8.4033 8.4525 8.5114 k =-0.1607 0.2133 0.7998 ( 9734 PWs) bands (ev): -11.6253 -11.6246 -11.6209 -11.6205 -11.2161 -11.2151 -11.1410 -11.1408 -11.1373 -11.1365 -9.0180 -9.0177 -8.6077 -8.6036 -8.5294 -8.5288 -8.4915 -8.4874 -2.6113 -2.6087 -0.7245 -0.6950 -0.0953 -0.0672 0.1779 0.2774 0.4553 0.6665 0.8970 1.1764 1.2319 1.3585 1.4277 1.6032 1.7331 1.8228 1.8483 1.9173 2.1293 2.1518 2.3867 2.5019 2.8221 2.8804 3.0815 3.1380 3.2702 3.2915 3.4199 3.4588 3.5515 3.5672 5.6885 5.7193 7.3706 7.4089 8.1573 8.2036 8.3649 8.4135 8.4175 8.4897 k =-0.1701 0.2258 0.7841 ( 9732 PWs) bands (ev): -11.6253 -11.6246 -11.6209 -11.6205 -11.2161 -11.2150 -11.1410 -11.1408 -11.1372 -11.1365 -9.0208 -9.0204 -8.6111 -8.6070 -8.5307 -8.5304 -8.4850 -8.4811 -2.6059 -2.6020 -0.7063 -0.6725 -0.0889 -0.0525 0.1700 0.2866 0.4519 0.6685 0.8820 1.1877 1.2163 1.3425 1.4184 1.5969 1.7315 1.8201 1.8464 1.9183 2.1353 2.1572 2.3730 2.4987 2.8143 2.8702 3.0803 3.1296 3.2619 3.2839 3.4118 3.4558 3.5361 3.5557 5.7063 5.7427 7.3861 7.4282 8.1166 8.1673 8.3797 8.3906 8.4363 8.4784 k =-0.1795 0.2383 0.7684 ( 9737 PWs) bands (ev): -11.6254 -11.6246 -11.6209 -11.6204 -11.2161 -11.2149 -11.1410 -11.1408 -11.1372 -11.1365 -9.0239 -9.0236 -8.6145 -8.6104 -8.5333 -8.5328 -8.4770 -8.4732 -2.6005 -2.5955 -0.6870 -0.6488 -0.0828 -0.0370 0.1617 0.2976 0.4492 0.6694 0.8678 1.1783 1.2199 1.3268 1.4068 1.5888 1.7291 1.8164 1.8443 1.9205 2.1424 2.1633 2.3583 2.4950 2.8068 2.8597 3.0782 3.1196 3.2539 3.2768 3.4044 3.4527 3.5207 3.5442 5.7244 5.7666 7.4014 7.4475 8.0682 8.1195 8.3669 8.4014 8.4575 8.4827 k =-0.1889 0.2509 0.7528 ( 9735 PWs) bands (ev): -11.6254 -11.6245 -11.6209 -11.6204 -11.2161 -11.2148 -11.1410 -11.1408 -11.1372 -11.1365 -9.0274 -9.0271 -8.6179 -8.6137 -8.5364 -8.5357 -8.4682 -8.4645 -2.5953 -2.5891 -0.6667 -0.6241 -0.0770 -0.0209 0.1530 0.3105 0.4478 0.6698 0.8541 1.1565 1.2336 1.3121 1.3929 1.5794 1.7256 1.8115 1.8425 1.9239 2.1501 2.1702 2.3428 2.4912 2.7999 2.8489 3.0751 3.1080 3.2461 3.2703 3.3980 3.4498 3.5057 3.5328 5.7424 5.7903 7.4158 7.4664 8.0160 8.0657 8.3551 8.4112 8.4777 8.5036 k =-0.1984 0.2634 0.7371 ( 9739 PWs) bands (ev): -11.6254 -11.6245 -11.6208 -11.6204 -11.2161 -11.2147 -11.1411 -11.1408 -11.1372 -11.1364 -9.0311 -9.0308 -8.6211 -8.6170 -8.5396 -8.5389 -8.4589 -8.4554 -2.5903 -2.5829 -0.6456 -0.5987 -0.0717 -0.0045 0.1438 0.3250 0.4478 0.6703 0.8407 1.1323 1.2456 1.3000 1.3768 1.5687 1.7212 1.8055 1.8409 1.9282 2.1577 2.1785 2.3268 2.4873 2.7935 2.8380 3.0706 3.0954 3.2388 3.2642 3.3930 3.4470 3.4917 3.5221 5.7598 5.8132 7.4292 7.4843 7.9626 8.0097 8.3479 8.4162 8.5016 8.5304 k =-0.2078 0.2759 0.7214 ( 9745 PWs) bands (ev): -11.6254 -11.6245 -11.6208 -11.6203 -11.2161 -11.2146 -11.1411 -11.1408 -11.1372 -11.1364 -9.0349 -9.0345 -8.6242 -8.6202 -8.5427 -8.5421 -8.4496 -8.4462 -2.5855 -2.5770 -0.6240 -0.5728 -0.0670 0.0120 0.1343 0.3406 0.4498 0.6716 0.8274 1.1073 1.2498 1.2948 1.3587 1.5569 1.7159 1.7984 1.8398 1.9332 2.1643 2.1886 2.3103 2.4837 2.7878 2.8271 3.0641 3.0825 3.2318 3.2586 3.3895 3.4442 3.4790 3.5121 5.7763 5.8349 7.4412 7.5009 7.9098 7.9539 8.3444 8.4204 8.5275 8.5577 k =-0.2172 0.2884 0.7058 ( 9745 PWs) bands (ev): -11.6254 -11.6245 -11.6208 -11.6203 -11.2161 -11.2146 -11.1411 -11.1408 -11.1372 -11.1364 -9.0387 -9.0383 -8.6272 -8.6232 -8.5458 -8.5452 -8.4404 -8.4371 -2.5809 -2.5713 -0.6021 -0.5468 -0.0629 0.0283 0.1244 0.3568 0.4546 0.6741 0.8139 1.0821 1.2426 1.2987 1.3397 1.5443 1.7101 1.7907 1.8393 1.9384 2.1691 2.2005 2.2939 2.4806 2.7828 2.8163 3.0538 3.0713 3.2252 3.2535 3.3875 3.4412 3.4683 3.5033 5.7914 5.8548 7.4518 7.5158 7.8589 7.9000 8.3436 8.4253 8.5531 8.5837 k =-0.2266 0.3009 0.6901 ( 9752 PWs) bands (ev): -11.6254 -11.6245 -11.6208 -11.6203 -11.2161 -11.2145 -11.1411 -11.1408 -11.1372 -11.1364 -9.0424 -9.0420 -8.6300 -8.6261 -8.5488 -8.5482 -8.4315 -8.4283 -2.5767 -2.5660 -0.5803 -0.5211 -0.0594 0.0440 0.1143 0.3723 0.4629 0.6786 0.8000 1.0570 1.2292 1.3016 1.3249 1.5310 1.7041 1.7825 1.8392 1.9436 2.1719 2.2133 2.2781 2.4784 2.7785 2.8059 3.0392 3.0627 3.2191 3.2489 3.3870 3.4378 3.4598 3.4958 5.8049 5.8728 7.4611 7.5287 7.8110 7.8494 8.3446 8.4310 8.5771 8.6075 k =-0.2361 0.3134 0.6744 ( 9760 PWs) bands (ev): -11.6254 -11.6245 -11.6207 -11.6203 -11.2161 -11.2144 -11.1411 -11.1408 -11.1372 -11.1364 -9.0460 -9.0456 -8.6325 -8.6287 -8.5516 -8.5511 -8.4231 -8.4200 -2.5727 -2.5611 -0.5588 -0.4960 -0.0566 0.0590 0.1044 0.3863 0.4755 0.6854 0.7858 1.0322 1.2133 1.2871 1.3269 1.5172 1.6980 1.7744 1.8396 1.9485 2.1727 2.2243 2.2654 2.4771 2.7745 2.7962 3.0223 3.0554 3.2135 3.2449 3.3877 3.4338 3.4539 3.4899 5.8166 5.8884 7.4691 7.5393 7.7668 7.8032 8.3465 8.4369 8.5987 8.6287 k =-0.2455 0.3260 0.6588 ( 9762 PWs) bands (ev): -11.6254 -11.6244 -11.6207 -11.6202 -11.2161 -11.2143 -11.1412 -11.1408 -11.1372 -11.1364 -9.0494 -9.0489 -8.6349 -8.6311 -8.5542 -8.5536 -8.4152 -8.4123 -2.5691 -2.5566 -0.5381 -0.4720 -0.0545 0.0729 0.0950 0.3983 0.4921 0.6948 0.7714 1.0078 1.1963 1.2652 1.3350 1.5031 1.6921 1.7667 1.8405 1.9529 2.1713 2.2262 2.2627 2.4770 2.7705 2.7878 3.0045 3.0486 3.2084 3.2415 3.3895 3.4294 3.4500 3.4858 5.8264 5.9016 7.4760 7.5471 7.7268 7.7629 8.3486 8.4422 8.6175 8.6468 k =-0.2549 0.3385 0.6431 ( 9762 PWs) bands (ev): -11.6254 -11.6244 -11.6207 -11.6202 -11.2160 -11.2143 -11.1412 -11.1408 -11.1372 -11.1364 -9.0524 -9.0520 -8.6370 -8.6333 -8.5566 -8.5559 -8.4081 -8.4052 -2.5659 -2.5526 -0.5184 -0.4496 -0.0534 0.0846 0.0875 0.4084 0.5119 0.7070 0.7575 0.9838 1.1787 1.2425 1.3428 1.4893 1.6863 1.7597 1.8418 1.9565 2.1679 2.2165 2.2722 2.4779 2.7655 2.7817 2.9867 3.0422 3.2038 3.2387 3.3919 3.4253 3.4476 3.4834 5.8342 5.9123 7.4817 7.5514 7.6915 7.7302 8.3503 8.4462 8.6335 8.6620 k =-0.2643 0.3510 0.6274 ( 9758 PWs) bands (ev): -11.6254 -11.6244 -11.6207 -11.6202 -11.2160 -11.2142 -11.1411 -11.1408 -11.1372 -11.1364 -9.0552 -9.0548 -8.6388 -8.6352 -8.5588 -8.5580 -8.4017 -8.3988 -2.5631 -2.5491 -0.5002 -0.4293 -0.0535 0.0794 0.0973 0.4172 0.5328 0.7213 0.7455 0.9603 1.1610 1.2203 1.3494 1.4759 1.6808 1.7537 1.8436 1.9593 2.1624 2.2036 2.2854 2.4796 2.7590 2.7782 2.9696 3.0363 3.1998 3.2365 3.3947 3.4220 3.4461 3.4829 5.8402 5.9205 7.4862 7.5515 7.6609 7.7068 8.3511 8.4484 8.6467 8.6743 k =-0.2738 0.3635 0.6118 ( 9757 PWs) bands (ev): -11.6254 -11.6244 -11.6206 -11.6202 -11.2160 -11.2142 -11.1412 -11.1408 -11.1372 -11.1363 -9.0576 -9.0572 -8.6404 -8.6368 -8.5608 -8.5597 -8.3961 -8.3933 -2.5607 -2.5460 -0.4839 -0.4116 -0.0552 0.0750 0.1074 0.4250 0.5525 0.7299 0.7447 0.9371 1.1436 1.1995 1.3546 1.4634 1.6755 1.7492 1.8456 1.9611 2.1546 2.1915 2.2986 2.4817 2.7516 2.7766 2.9539 3.0312 3.1964 3.2349 3.3973 3.4198 3.4453 3.4840 5.8444 5.9263 7.4890 7.5477 7.6357 7.6931 8.3507 8.4484 8.6575 8.6838 k =-0.2832 0.3760 0.5961 ( 9755 PWs) bands (ev): -11.6254 -11.6244 -11.6206 -11.6201 -11.2160 -11.2141 -11.1411 -11.1408 -11.1371 -11.1363 -9.0596 -9.0592 -8.6417 -8.6381 -8.5624 -8.5612 -8.3914 -8.3887 -2.5588 -2.5436 -0.4700 -0.3969 -0.0587 0.0735 0.1163 0.4320 0.5676 0.7281 0.7618 0.9146 1.1270 1.1806 1.3586 1.4520 1.6705 1.7462 1.8479 1.9620 2.1447 2.1812 2.3104 2.4838 2.7444 2.7757 2.9405 3.0271 3.1936 3.2339 3.3994 3.4190 3.4450 3.4867 5.8470 5.9300 7.4898 7.5415 7.6167 7.6876 8.3490 8.4461 8.6658 8.6906 k =-0.2926 0.3885 0.5804 ( 9749 PWs) bands (ev): -11.6254 -11.6244 -11.6206 -11.6201 -11.2160 -11.2141 -11.1411 -11.1408 -11.1371 -11.1363 -9.0612 -9.0608 -8.6428 -8.6391 -8.5638 -8.5624 -8.3877 -8.3851 -2.5573 -2.5416 -0.4588 -0.3855 -0.0640 0.0750 0.1242 0.4379 0.5752 0.7328 0.7806 0.8945 1.1119 1.1640 1.3618 1.4419 1.6659 1.7448 1.8502 1.9618 2.1332 2.1730 2.3200 2.4856 2.7378 2.7750 2.9300 3.0242 3.1914 3.2333 3.4004 3.4196 3.4455 3.4905 5.8482 5.9317 7.4890 7.5346 7.6048 7.6880 8.3458 8.4417 8.6718 8.6949 k =-0.3020 0.4011 0.5648 ( 9749 PWs) bands (ev): -11.6254 -11.6244 -11.6206 -11.6201 -11.2160 -11.2141 -11.1411 -11.1408 -11.1371 -11.1363 -9.0623 -9.0619 -8.6435 -8.6398 -8.5649 -8.5633 -8.3850 -8.3824 -2.5562 -2.5403 -0.4507 -0.3777 -0.0705 0.0791 0.1313 0.4422 0.5749 0.7459 0.7943 0.8817 1.0986 1.1500 1.3644 1.4333 1.6620 1.7451 1.8524 1.9607 2.1209 2.1667 2.3270 2.4867 2.7321 2.7741 2.9231 3.0227 3.1897 3.2334 3.4005 3.4213 3.4466 3.4953 5.8481 5.9318 7.4874 7.5282 7.6002 7.6922 8.3413 8.4354 8.6751 8.6966 k =-0.3115 0.4136 0.5491 ( 9748 PWs) bands (ev): -11.6254 -11.6244 -11.6206 -11.6201 -11.2160 -11.2140 -11.1411 -11.1408 -11.1371 -11.1363 -9.0630 -9.0626 -8.6439 -8.6402 -8.5656 -8.5638 -8.3833 -8.3807 -2.5556 -2.5395 -0.4460 -0.3738 -0.0776 0.0848 0.1379 0.4443 0.5694 0.7622 0.7967 0.8849 1.0874 1.1390 1.3671 1.4261 1.6588 1.7470 1.8544 1.9589 2.1084 2.1620 2.3310 2.4868 2.7275 2.7728 2.9200 3.0226 3.1886 3.2338 3.4001 3.4233 3.4487 3.5006 5.8470 5.9304 7.4867 7.5232 7.6018 7.6988 8.3357 8.4273 8.6757 8.6955 k =-0.3209 0.4261 0.5334 ( 9752 PWs) bands (ev): -11.6254 -11.6244 -11.6206 -11.6201 -11.2160 -11.2140 -11.1411 -11.1408 -11.1371 -11.1363 -9.0632 -9.0629 -8.6441 -8.6403 -8.5661 -8.5641 -8.3826 -8.3800 -2.5554 -2.5393 -0.4446 -0.3738 -0.0846 0.0908 0.1446 0.4433 0.5625 0.7616 0.8054 0.9033 1.0782 1.1314 1.3702 1.4204 1.6566 1.7504 1.8559 1.9568 2.0963 2.1585 2.3318 2.4858 2.7241 2.7714 2.9208 3.0239 3.1880 3.2348 3.3996 3.4252 3.4518 3.5063 5.8450 5.9278 7.4883 7.5202 7.6083 7.7068 8.3289 8.4178 8.6731 8.6915 k =-0.3209 0.4261 0.5334 ( 9752 PWs) bands (ev): -11.6254 -11.6244 -11.6206 -11.6201 -11.2160 -11.2140 -11.1411 -11.1408 -11.1371 -11.1363 -9.0632 -9.0629 -8.6441 -8.6403 -8.5661 -8.5641 -8.3826 -8.3800 -2.5554 -2.5393 -0.4446 -0.3738 -0.0846 0.0908 0.1446 0.4433 0.5625 0.7616 0.8054 0.9033 1.0782 1.1314 1.3702 1.4204 1.6566 1.7504 1.8559 1.9568 2.0963 2.1585 2.3318 2.4858 2.7241 2.7714 2.9208 3.0239 3.1880 3.2348 3.3996 3.4252 3.4518 3.5063 5.8450 5.9278 7.4883 7.5202 7.6083 7.7068 8.3289 8.4178 8.6731 8.6915 k =-0.3112 0.4132 0.5172 ( 9748 PWs) bands (ev): -11.6253 -11.6243 -11.6206 -11.6202 -11.2160 -11.2141 -11.1411 -11.1408 -11.1371 -11.1363 -9.0664 -9.0661 -8.6357 -8.6318 -8.5723 -8.5699 -8.3799 -8.3773 -2.5554 -2.5390 -0.4480 -0.3788 -0.0952 0.0787 0.1524 0.4342 0.5732 0.7523 0.8099 0.8963 1.0801 1.1069 1.3571 1.4088 1.6451 1.7364 1.8684 1.9547 2.0868 2.1612 2.3394 2.4876 2.7332 2.7801 2.9260 3.0274 3.1891 3.2385 3.4018 3.4282 3.4544 3.5094 5.8689 5.9496 7.5192 7.5552 7.6370 7.7370 8.3971 8.4862 8.7368 8.7538 k =-0.3015 0.4003 0.5011 ( 9736 PWs) bands (ev): -11.6253 -11.6243 -11.6206 -11.6202 -11.2160 -11.2141 -11.1411 -11.1407 -11.1371 -11.1364 -9.0712 -9.0709 -8.6275 -8.6235 -8.5764 -8.5736 -8.3771 -8.3745 -2.5564 -2.5397 -0.4524 -0.3849 -0.1042 0.0624 0.1669 0.4248 0.5871 0.7441 0.8157 0.8898 1.0762 1.0881 1.3435 1.3981 1.6319 1.7236 1.8795 1.9509 2.0789 2.1648 2.3485 2.4889 2.7417 2.7884 2.9319 3.0311 3.1914 3.2434 3.4025 3.4298 3.4562 3.5114 5.8919 5.9692 7.5504 7.5902 7.6629 7.7636 8.4595 8.5471 8.7915 8.8072 k =-0.2917 0.3874 0.4849 ( 9732 PWs) bands (ev): -11.6253 -11.6243 -11.6206 -11.6202 -11.2160 -11.2141 -11.1410 -11.1407 -11.1372 -11.1364 -9.0777 -9.0773 -8.6197 -8.6157 -8.5783 -8.5750 -8.3744 -8.3716 -2.5583 -2.5415 -0.4576 -0.3916 -0.1119 0.0449 0.1842 0.4149 0.6041 0.7376 0.8227 0.8842 1.0538 1.0877 1.3299 1.3883 1.6169 1.7126 1.8877 1.9466 2.0730 2.1686 2.3587 2.4897 2.7496 2.7960 2.9386 3.0349 3.1948 3.2498 3.4013 3.4295 3.4575 3.5125 5.9137 5.9867 7.5817 7.6249 7.6861 7.7866 8.5139 8.5974 8.8337 8.8479 k =-0.2820 0.3744 0.4688 ( 9728 PWs) bands (ev): -11.6252 -11.6243 -11.6207 -11.6203 -11.2160 -11.2141 -11.1410 -11.1406 -11.1371 -11.1364 -9.0858 -9.0854 -8.6125 -8.6085 -8.5775 -8.5737 -8.3716 -8.3688 -2.5612 -2.5445 -0.4632 -0.3983 -0.1185 0.0273 0.2023 0.4045 0.6238 0.7332 0.8307 0.8799 1.0291 1.0892 1.3168 1.3792 1.6004 1.7036 1.8919 1.9426 2.0694 2.1724 2.3699 2.4898 2.7569 2.8029 2.9460 3.0388 3.1993 3.2574 3.3983 3.4272 3.4587 3.5130 5.9343 6.0019 7.6128 7.6589 7.7071 7.8062 8.5573 8.6326 8.8624 8.8739 k =-0.2723 0.3615 0.4526 ( 9732 PWs) bands (ev): -11.6252 -11.6243 -11.6207 -11.6203 -11.2160 -11.2141 -11.1410 -11.1406 -11.1372 -11.1365 -9.0955 -9.0952 -8.6060 -8.6022 -8.5741 -8.5700 -8.3688 -8.3660 -2.5650 -2.5484 -0.4688 -0.4045 -0.1243 0.0103 0.2199 0.3938 0.6457 0.7315 0.8396 0.8770 1.0049 1.0900 1.3048 1.3705 1.5833 1.6964 1.8913 1.9398 2.0682 2.1757 2.3816 2.4891 2.7635 2.8088 2.9541 3.0430 3.2046 3.2661 3.3933 3.4229 3.4601 3.5134 5.9535 6.0147 7.6433 7.6914 7.7266 7.8228 8.5858 8.6475 8.8778 8.8896 k =-0.2626 0.3486 0.4364 ( 9740 PWs) bands (ev): -11.6251 -11.6243 -11.6207 -11.6203 -11.2160 -11.2141 -11.1410 -11.1406 -11.1371 -11.1365 -9.1067 -9.1064 -8.5997 -8.5964 -8.5683 -8.5641 -8.3660 -8.3632 -2.5698 -2.5535 -0.4741 -0.4099 -0.1294 -0.0059 0.2357 0.3830 0.6690 0.7325 0.8490 0.8754 0.9825 1.0896 1.2943 1.3622 1.5661 1.6905 1.8865 1.9381 2.0695 2.1785 2.3935 2.4874 2.7695 2.8137 2.9628 3.0472 3.2105 3.2758 3.3866 3.4169 3.4617 3.5143 5.9712 6.0253 7.6724 7.7206 7.7470 7.8369 8.5949 8.6386 8.8812 8.9035 k =-0.2528 0.3357 0.4203 ( 9734 PWs) bands (ev): -11.6251 -11.6243 -11.6207 -11.6204 -11.2159 -11.2141 -11.1410 -11.1406 -11.1371 -11.1365 -9.1192 -9.1189 -8.5934 -8.5905 -8.5609 -8.5567 -8.3633 -8.3604 -2.5755 -2.5595 -0.4788 -0.4141 -0.1339 -0.0211 0.2484 0.3724 0.6926 0.7364 0.8582 0.8748 0.9637 1.0878 1.2855 1.3542 1.5497 1.6854 1.8788 1.9365 2.0728 2.1807 2.4052 2.4845 2.7749 2.8178 2.9717 3.0514 3.2170 3.2860 3.3788 3.4098 3.4639 3.5160 5.9870 6.0334 7.6986 7.7448 7.7711 7.8491 8.5815 8.6072 8.8795 8.9156 k =-0.2431 0.3228 0.4041 ( 9748 PWs) bands (ev): -11.6251 -11.6243 -11.6207 -11.6204 -11.2159 -11.2142 -11.1410 -11.1405 -11.1371 -11.1366 -9.1330 -9.1327 -8.5867 -8.5842 -8.5525 -8.5483 -8.3605 -8.3577 -2.5820 -2.5664 -0.4827 -0.4170 -0.1379 -0.0350 0.2571 0.3625 0.7149 0.7433 0.8636 0.8765 0.9518 1.0849 1.2785 1.3466 1.5347 1.6809 1.8697 1.9345 2.0776 2.1822 2.4160 2.4804 2.7798 2.8210 2.9805 3.0553 3.2237 3.2958 3.3706 3.4021 3.4670 3.5192 6.0008 6.0392 7.7192 7.7668 7.7977 7.8604 8.5456 8.5585 8.8758 8.9234 k =-0.2334 0.3099 0.3879 ( 9751 PWs) bands (ev): -11.6250 -11.6243 -11.6207 -11.6204 -11.2158 -11.2142 -11.1410 -11.1405 -11.1371 -11.1366 -9.1477 -9.1474 -8.5792 -8.5770 -8.5436 -8.5394 -8.3579 -8.3550 -2.5892 -2.5742 -0.4853 -0.4185 -0.1413 -0.0475 0.2610 0.3539 0.7338 0.7529 0.8572 0.8866 0.9496 1.0813 1.2731 1.3396 1.5217 1.6763 1.8604 1.9318 2.0832 2.1831 2.4256 2.4748 2.7844 2.8234 2.9888 3.0586 3.2305 3.3036 3.3640 3.3949 3.4712 3.5242 6.0122 6.0425 7.7328 7.7898 7.8235 7.8725 8.4889 8.5002 8.8690 8.9241 k =-0.2237 0.2970 0.3718 ( 9753 PWs) bands (ev): -11.6249 -11.6242 -11.6207 -11.6205 -11.2157 -11.2141 -11.1410 -11.1405 -11.1371 -11.1366 -9.1632 -9.1629 -8.5710 -8.5691 -8.5344 -8.5303 -8.3552 -8.3524 -2.5972 -2.5827 -0.4867 -0.4182 -0.1443 -0.0585 0.2598 0.3467 0.7477 0.7636 0.8441 0.9025 0.9559 1.0777 1.2689 1.3331 1.5111 1.6713 1.8517 1.9286 2.0891 2.1835 2.4333 2.4678 2.7886 2.8252 2.9960 3.0610 3.2371 3.3069 3.3614 3.3895 3.4772 3.5312 6.0207 6.0436 7.7402 7.8115 7.8466 7.8883 8.4177 8.4351 8.8566 8.9161 k =-0.2139 0.2841 0.3556 ( 9755 PWs) bands (ev): -11.6249 -11.6242 -11.6207 -11.6205 -11.2157 -11.2141 -11.1410 -11.1405 -11.1371 -11.1366 -9.1792 -9.1790 -8.5622 -8.5604 -8.5250 -8.5210 -8.3526 -8.3498 -2.6057 -2.5918 -0.4865 -0.4162 -0.1468 -0.0679 0.2542 0.3406 0.7569 0.7714 0.8306 0.9229 0.9670 1.0753 1.2654 1.3278 1.5033 1.6655 1.8443 1.9252 2.0949 2.1835 2.4384 2.4597 2.7926 2.8266 3.0015 3.0618 3.2435 3.3049 3.3633 3.3879 3.4855 3.5405 6.0255 6.0425 7.7428 7.8258 7.8698 7.9090 8.3391 8.3638 8.8374 8.8991 k =-0.2042 0.2711 0.3394 ( 9741 PWs) bands (ev): -11.6248 -11.6242 -11.6206 -11.6205 -11.2156 -11.2141 -11.1409 -11.1404 -11.1370 -11.1366 -9.1957 -9.1954 -8.5527 -8.5511 -8.5157 -8.5118 -8.3501 -8.3473 -2.6147 -2.6015 -0.4847 -0.4125 -0.1487 -0.0756 0.2453 0.3350 0.7589 0.7742 0.8223 0.9474 0.9790 1.0756 1.2623 1.3239 1.4981 1.6584 1.8388 1.9216 2.1002 2.1831 2.4385 2.4525 2.7966 2.8276 3.0045 3.0607 3.2494 3.3000 3.3670 3.3921 3.4963 3.5520 6.0254 6.0401 7.7412 7.8297 7.8957 7.9326 8.2565 8.2894 8.8113 8.8736 k =-0.1945 0.2582 0.3233 ( 9745 PWs) bands (ev): -11.6247 -11.6242 -11.6206 -11.6205 -11.2155 -11.2140 -11.1409 -11.1404 -11.1370 -11.1367 -9.2124 -9.2121 -8.5428 -8.5414 -8.5065 -8.5026 -8.3477 -8.3450 -2.6242 -2.6117 -0.4811 -0.4069 -0.1501 -0.0815 0.2342 0.3294 0.7492 0.7753 0.8209 0.9744 0.9890 1.0803 1.2595 1.3222 1.4954 1.6500 1.8359 1.9182 2.1049 2.1825 2.4303 2.4494 2.8004 2.8284 3.0044 3.0572 3.2552 3.2953 3.3719 3.4015 3.5100 3.5658 6.0198 6.0365 7.7351 7.8248 7.9218 7.9561 8.1726 8.2164 8.7792 8.8410 k =-0.1848 0.2453 0.3071 ( 9745 PWs) bands (ev): -11.6246 -11.6241 -11.6206 -11.6205 -11.2153 -11.2140 -11.1409 -11.1404 -11.1370 -11.1367 -9.2290 -9.2288 -8.5326 -8.5312 -8.4974 -8.4936 -8.3453 -8.3426 -2.6339 -2.6221 -0.4758 -0.3994 -0.1509 -0.0857 0.2218 0.3234 0.7325 0.7743 0.8230 0.9944 1.0030 1.0901 1.2574 1.3229 1.4943 1.6402 1.8359 1.9150 2.1088 2.1818 2.4173 2.4470 2.8042 2.8291 3.0008 3.0509 3.2608 3.2926 3.3796 3.4141 3.5265 3.5817 6.0092 6.0305 7.7242 7.8121 7.9410 7.9755 8.0925 8.1528 8.7429 8.8035 k =-0.1750 0.2324 0.2910 ( 9745 PWs) bands (ev): -11.6246 -11.6241 -11.6206 -11.6205 -11.2152 -11.2140 -11.1409 -11.1403 -11.1370 -11.1367 -9.2456 -9.2454 -8.5221 -8.5208 -8.4885 -8.4849 -8.3431 -8.3404 -2.6439 -2.6328 -0.4686 -0.3902 -0.1511 -0.0882 0.2088 0.3171 0.7132 0.7698 0.8254 0.9970 1.0289 1.1044 1.2572 1.3260 1.4940 1.6295 1.8392 1.9124 2.1121 2.1810 2.4021 2.4429 2.8079 2.8296 2.9937 3.0419 3.2669 3.2927 3.3912 3.4288 3.5454 3.5994 5.9945 6.0209 7.7074 7.7907 7.9362 7.9679 8.0441 8.1141 8.7043 8.7632 k =-0.1653 0.2195 0.2748 ( 9741 PWs) bands (ev): -11.6245 -11.6241 -11.6205 -11.6204 -11.2151 -11.2139 -11.1408 -11.1403 -11.1369 -11.1367 -9.2620 -9.2617 -8.5115 -8.5104 -8.4799 -8.4764 -8.3409 -8.3383 -2.6539 -2.6436 -0.4596 -0.3792 -0.1507 -0.0891 0.1957 0.3105 0.6932 0.7617 0.8269 0.9963 1.0505 1.1226 1.2604 1.3313 1.4930 1.6189 1.8457 1.9104 2.1147 2.1802 2.3853 2.4368 2.8113 2.8301 2.9835 3.0304 3.2740 3.2956 3.4070 3.4455 3.5664 3.6186 5.9759 6.0071 7.6838 7.7590 7.8885 7.9144 8.0583 8.1109 8.6657 8.7225 k =-0.1556 0.2066 0.2586 ( 9741 PWs) bands (ev): -11.6244 -11.6241 -11.6205 -11.6204 -11.2150 -11.2139 -11.1408 -11.1403 -11.1369 -11.1367 -9.2779 -9.2777 -8.5010 -8.4999 -8.4715 -8.4681 -8.3388 -8.3363 -2.6639 -2.6544 -0.4487 -0.3665 -0.1496 -0.0885 0.1829 0.3040 0.6732 0.7504 0.8269 0.9935 1.0643 1.1443 1.2681 1.3382 1.4901 1.6093 1.8553 1.9095 2.1169 2.1796 2.3675 2.4287 2.8143 2.8305 2.9710 3.0169 3.2824 3.3007 3.4269 3.4642 3.5890 3.6391 5.9536 5.9888 7.6518 7.7157 7.8158 7.8606 8.0891 8.1295 8.6288 8.6835 k =-0.1459 0.1937 0.2425 ( 9737 PWs) bands (ev): -11.6244 -11.6240 -11.6204 -11.6204 -11.2148 -11.2138 -11.1408 -11.1403 -11.1368 -11.1367 -9.2934 -9.2932 -8.4905 -8.4895 -8.4635 -8.4602 -8.3368 -8.3345 -2.6739 -2.6651 -0.4361 -0.3523 -0.1478 -0.0867 0.1706 0.2976 0.6535 0.7361 0.8254 0.9889 1.0694 1.1688 1.2801 1.3462 1.4846 1.6018 1.8678 1.9100 2.1188 2.1791 2.3488 2.4191 2.8167 2.8309 2.9569 3.0018 3.2922 3.3076 3.4505 3.4850 3.6127 3.6604 5.9276 5.9659 7.6100 7.6613 7.7441 7.8084 8.1237 8.1572 8.5953 8.6477 k =-0.1361 0.1808 0.2263 ( 9733 PWs) bands (ev): -11.6243 -11.6240 -11.6204 -11.6204 -11.2147 -11.2138 -11.1408 -11.1403 -11.1368 -11.1367 -9.3082 -9.3081 -8.4803 -8.4794 -8.4559 -8.4527 -8.3350 -8.3327 -2.6836 -2.6756 -0.4217 -0.3367 -0.1453 -0.0839 0.1592 0.2918 0.6343 0.7190 0.8225 0.9827 1.0675 1.1937 1.2955 1.3543 1.4769 1.5965 1.8820 1.9131 2.1206 2.1789 2.3295 2.4082 2.8185 2.8312 2.9420 2.9858 3.3032 3.3158 3.4774 3.5081 3.6370 3.6822 5.8982 5.9386 7.5581 7.5984 7.6800 7.7576 8.1598 8.1890 8.5663 8.6163 k =-0.1264 0.1679 0.2101 ( 9737 PWs) bands (ev): -11.6242 -11.6240 -11.6204 -11.6203 -11.2146 -11.2137 -11.1408 -11.1403 -11.1368 -11.1367 -9.3224 -9.3223 -8.4704 -8.4695 -8.4486 -8.4456 -8.3332 -8.3311 -2.6931 -2.6857 -0.4057 -0.3199 -0.1421 -0.0803 0.1490 0.2868 0.6157 0.6995 0.8183 0.9749 1.0608 1.2168 1.3125 1.3617 1.4691 1.5930 1.8953 1.9212 2.1224 2.1788 2.3100 2.3964 2.8193 2.8315 2.9272 2.9694 3.3151 3.3249 3.5072 3.5334 3.6616 3.7042 5.8655 5.9071 7.4991 7.5308 7.6233 7.7067 8.1964 8.2227 8.5424 8.5898 k =-0.1167 0.1549 0.1940 ( 9729 PWs) bands (ev): -11.6242 -11.6239 -11.6203 -11.6203 -11.2144 -11.2136 -11.1407 -11.1402 -11.1367 -11.1367 -9.3359 -9.3357 -8.4609 -8.4601 -8.4418 -8.4389 -8.3316 -8.3296 -2.7022 -2.6955 -0.3881 -0.3023 -0.1383 -0.0762 0.1403 0.2829 0.5977 0.6776 0.8132 0.9657 1.0513 1.2353 1.3293 1.3682 1.4639 1.5905 1.9049 1.9368 2.1245 2.1790 2.2904 2.3841 2.8194 2.8316 2.9130 2.9532 3.3274 3.3349 3.5393 3.5609 3.6862 3.7260 5.8301 5.8719 7.4370 7.4624 7.5709 7.6549 8.2329 8.2573 8.5235 8.5683 k =-0.1070 0.1420 0.1778 ( 9725 PWs) bands (ev): -11.6241 -11.6239 -11.6203 -11.6203 -11.2143 -11.2136 -11.1407 -11.1402 -11.1367 -11.1367 -9.3485 -9.3483 -8.4519 -8.4511 -8.4353 -8.4327 -8.3301 -8.3282 -2.7109 -2.7048 -0.3691 -0.2840 -0.1341 -0.0720 0.1334 0.2804 0.5802 0.6536 0.8074 0.9551 1.0402 1.2456 1.3446 1.3759 1.4633 1.5881 1.9124 1.9580 2.1268 2.1793 2.2711 2.3713 2.8186 2.8314 2.8998 2.9374 3.3397 3.3455 3.5733 3.5903 3.7103 3.7473 5.7924 5.8334 7.3751 7.3958 7.5206 7.6023 8.2687 8.2918 8.5094 8.5513 k =-0.0972 0.1291 0.1616 ( 9731 PWs) bands (ev): -11.6241 -11.6239 -11.6203 -11.6202 -11.2142 -11.2136 -11.1406 -11.1402 -11.1367 -11.1367 -9.3602 -9.3600 -8.4434 -8.4428 -8.4294 -8.4269 -8.3287 -8.3269 -2.7190 -2.7136 -0.3489 -0.2656 -0.1298 -0.0680 0.1287 0.2796 0.5630 0.6276 0.8013 0.9433 1.0287 1.2445 1.3587 1.3869 1.4672 1.5855 1.9203 1.9817 2.1293 2.1797 2.2524 2.3584 2.8172 2.8307 2.8879 2.9224 3.3515 3.3566 3.6085 3.6212 3.7336 3.7677 5.7529 5.7925 7.3155 7.3326 7.4718 7.5495 8.3033 8.3252 8.4998 8.5382 k =-0.0875 0.1162 0.1455 ( 9727 PWs) bands (ev): -11.6240 -11.6239 -11.6202 -11.6202 -11.2141 -11.2135 -11.1406 -11.1402 -11.1367 -11.1366 -9.3709 -9.3708 -8.4356 -8.4350 -8.4240 -8.4217 -8.3274 -8.3258 -2.7265 -2.7218 -0.3276 -0.2475 -0.1256 -0.0647 0.1269 0.2807 0.5461 0.5999 0.7951 0.9303 1.0178 1.2325 1.3737 1.4002 1.4741 1.5824 1.9293 2.0068 2.1318 2.1798 2.2348 2.3455 2.8153 2.8294 2.8776 2.9085 3.3628 3.3678 3.6443 3.6532 3.7560 3.7870 5.7126 5.7500 7.2596 7.2738 7.4250 7.4975 8.3361 8.3568 8.4939 8.5286 k =-0.0778 0.1033 0.1293 ( 9731 PWs) bands (ev): -11.6240 -11.6238 -11.6202 -11.6202 -11.2140 -11.2135 -11.1406 -11.1402 -11.1367 -11.1366 -9.3807 -9.3805 -8.4284 -8.4279 -8.4190 -8.4169 -8.3263 -8.3248 -2.7334 -2.7293 -0.3055 -0.2300 -0.1219 -0.0625 0.1284 0.2839 0.5291 0.5709 0.7893 0.9162 1.0082 1.2132 1.3896 1.4139 1.4824 1.5788 1.9395 2.0323 2.1338 2.1793 2.2192 2.3326 2.8131 2.8276 2.8689 2.8957 3.3734 3.3786 3.6800 3.6857 3.7771 3.8050 5.6722 5.7069 7.2082 7.2199 7.3809 7.4474 8.3665 8.3858 8.4912 8.5216 k =-0.0681 0.0904 0.1131 ( 9727 PWs) bands (ev): -11.6239 -11.6238 -11.6202 -11.6201 -11.2139 -11.2134 -11.1406 -11.1402 -11.1366 -11.1366 -9.3894 -9.3893 -8.4219 -8.4215 -8.4146 -8.4126 -8.3252 -8.3239 -2.7396 -2.7361 -0.2827 -0.2135 -0.1191 -0.0619 0.1339 0.2895 0.5113 0.5411 0.7842 0.9013 1.0007 1.1896 1.4053 1.4267 1.4909 1.5746 1.9510 2.0577 2.1344 2.1778 2.2071 2.3198 2.8107 2.8251 2.8618 2.8843 3.3833 3.3888 3.7149 3.7178 3.7966 3.8213 5.6327 5.6642 7.1618 7.1715 7.3403 7.4001 8.3940 8.4114 8.4913 8.5166 k =-0.0583 0.0775 0.0970 ( 9733 PWs) bands (ev): -11.6239 -11.6238 -11.6201 -11.6201 -11.2138 -11.2134 -11.1405 -11.1402 -11.1366 -11.1366 -9.3970 -9.3969 -8.4163 -8.4159 -8.4107 -8.4089 -8.3243 -8.3232 -2.7451 -2.7421 -0.2595 -0.1983 -0.1175 -0.0634 0.1438 0.2972 0.4909 0.5126 0.7804 0.8856 0.9958 1.1643 1.4201 1.4381 1.4993 1.5701 1.9636 2.0823 2.1317 2.1757 2.1995 2.3069 2.8084 2.8222 2.8562 2.8744 3.3925 3.3979 3.7479 3.7487 3.8145 3.8358 5.5953 5.6232 7.1210 7.1288 7.3040 7.3566 8.4179 8.4334 8.4936 8.5132 k =-0.0486 0.0646 0.0808 ( 9741 PWs) bands (ev): -11.6239 -11.6238 -11.6201 -11.6201 -11.2137 -11.2134 -11.1405 -11.1403 -11.1366 -11.1366 -9.4035 -9.4034 -8.4115 -8.4112 -8.4073 -8.4057 -8.3235 -8.3225 -2.7497 -2.7472 -0.2361 -0.1846 -0.1173 -0.0675 0.1583 0.3070 0.4648 0.4887 0.7781 0.8697 0.9938 1.1385 1.4333 1.4479 1.5071 1.5652 1.9771 2.1053 2.1246 2.1755 2.1955 2.2940 2.8063 2.8190 2.8518 2.8659 3.4007 3.4057 3.7773 3.7781 3.8305 3.8483 5.5612 5.5850 7.0860 7.0922 7.2729 7.3176 8.4379 8.4514 8.4977 8.5109 k =-0.0389 0.0516 0.0647 ( 9745 PWs) bands (ev): -11.6239 -11.6238 -11.6201 -11.6201 -11.2136 -11.2134 -11.1405 -11.1403 -11.1366 -11.1366 -9.4088 -9.4087 -8.4076 -8.4073 -8.4043 -8.4031 -8.3229 -8.3221 -2.7535 -2.7515 -0.2130 -0.1723 -0.1185 -0.0743 0.1774 0.3183 0.4343 0.4688 0.7779 0.8539 0.9949 1.1134 1.4446 1.4559 1.5142 1.5601 1.9914 2.1112 2.1285 2.1785 2.1931 2.2808 2.8046 2.8157 2.8485 2.8590 3.4078 3.4122 3.8025 3.8043 3.8445 3.8587 5.5315 5.5509 7.0571 7.0619 7.2475 7.2839 8.4534 8.4656 8.5029 8.5096 k =-0.0292 0.0387 0.0485 ( 9745 PWs) bands (ev): -11.6238 -11.6238 -11.6201 -11.6201 -11.2136 -11.2134 -11.1405 -11.1403 -11.1366 -11.1366 -9.4130 -9.4129 -8.4046 -8.4044 -8.4019 -8.4009 -8.3223 -8.3217 -2.7565 -2.7550 -0.1903 -0.1615 -0.1212 -0.0840 0.2005 0.3292 0.4040 0.4500 0.7799 0.8386 0.9993 1.0897 1.4538 1.4620 1.5209 1.5549 2.0061 2.0978 2.1467 2.1840 2.1915 2.2672 2.8036 2.8125 2.8462 2.8535 3.4137 3.4172 3.8232 3.8255 3.8565 3.8669 5.5074 5.5223 7.0345 7.0380 7.2284 7.2561 8.4648 8.4761 8.5078 8.5096 k =-0.0194 0.0258 0.0323 ( 9749 PWs) bands (ev): -11.6238 -11.6238 -11.6201 -11.6201 -11.2135 -11.2134 -11.1404 -11.1403 -11.1366 -11.1366 -9.4160 -9.4159 -8.4025 -8.4025 -8.4000 -8.3994 -8.3219 -8.3215 -2.7585 -2.7575 -0.1685 -0.1519 -0.1251 -0.0965 0.2270 0.3326 0.3823 0.4316 0.7843 0.8243 1.0069 1.0679 1.4607 1.4661 1.5271 1.5496 2.0212 2.0830 2.1612 2.1860 2.1965 2.2532 2.8033 2.8095 2.8448 2.8494 3.4181 3.4206 3.8385 3.8407 3.8662 3.8729 5.4901 5.5001 7.0185 7.0207 7.2158 7.2344 8.4729 8.4822 8.5104 8.5123 k =-0.0097 0.0129 0.0162 ( 9741 PWs) bands (ev): -11.6238 -11.6238 -11.6200 -11.6200 -11.2135 -11.2134 -11.1404 -11.1404 -11.1366 -11.1366 -9.4178 -9.4178 -8.4013 -8.4013 -8.3988 -8.3985 -8.3216 -8.3214 -2.7596 -2.7592 -0.1480 -0.1434 -0.1302 -0.1114 0.2559 0.3149 0.3831 0.4136 0.7911 0.8114 1.0177 1.0484 1.4654 1.4681 1.5330 1.5442 2.0366 2.0676 2.1712 2.1829 2.2090 2.2386 2.8038 2.8070 2.8444 2.8466 3.4211 3.4224 3.8479 3.8493 3.8732 3.8764 5.4803 5.4854 7.0090 7.0101 7.2100 7.2194 8.4786 8.4839 8.5126 8.5143 k = 0.0000 0.0000 0.0000 ( 9741 PWs) bands (ev): -11.6238 -11.6238 -11.6200 -11.6200 -11.2134 -11.2134 -11.1404 -11.1404 -11.1366 -11.1366 -9.4184 -9.4184 -8.4009 -8.4009 -8.3982 -8.3982 -8.3214 -8.3214 -2.7599 -2.7599 -0.1365 -0.1365 -0.1286 -0.1286 0.2861 0.2861 0.3967 0.3967 0.8002 0.8002 1.0316 1.0316 1.4679 1.4679 1.5387 1.5387 2.0521 2.0521 2.1780 2.1780 2.2236 2.2236 2.8050 2.8050 2.8449 2.8449 3.4226 3.4226 3.8516 3.8516 3.8766 3.8766 5.4787 5.4787 7.0062 7.0062 7.2113 7.2113 8.4824 8.4824 8.5143 8.5143 k = 0.0000 0.0000 0.0000 ( 9741 PWs) bands (ev): -11.6238 -11.6238 -11.6200 -11.6200 -11.2134 -11.2134 -11.1404 -11.1404 -11.1366 -11.1366 -9.4184 -9.4184 -8.4009 -8.4009 -8.3982 -8.3982 -8.3214 -8.3214 -2.7599 -2.7599 -0.1365 -0.1365 -0.1286 -0.1286 0.2861 0.2861 0.3967 0.3967 0.8002 0.8002 1.0316 1.0316 1.4679 1.4679 1.5387 1.5387 2.0521 2.0521 2.1780 2.1780 2.2236 2.2236 2.8050 2.8050 2.8449 2.8449 3.4226 3.4226 3.8516 3.8516 3.8766 3.8766 5.4787 5.4787 7.0062 7.0062 7.2113 7.2113 8.4824 8.4824 8.5143 8.5143 k = 0.0179 0.0134-0.0000 ( 9753 PWs) bands (ev): -11.6238 -11.6238 -11.6201 -11.6201 -11.2134 -11.2134 -11.1404 -11.1404 -11.1366 -11.1366 -9.4177 -9.4177 -8.4010 -8.4010 -8.3983 -8.3983 -8.3224 -8.3224 -2.7594 -2.7594 -0.1478 -0.1478 -0.1178 -0.1178 0.2857 0.2857 0.3984 0.3984 0.8002 0.8002 1.0341 1.0341 1.4676 1.4676 1.5392 1.5392 2.0514 2.0514 2.1785 2.1785 2.2238 2.2238 2.8043 2.8043 2.8454 2.8454 3.4219 3.4219 3.8501 3.8501 3.8732 3.8732 5.4816 5.4816 7.0083 7.0083 7.2125 7.2125 8.4768 8.4768 8.5084 8.5084 k = 0.0357 0.0269 0.0000 ( 9737 PWs) bands (ev): -11.6238 -11.6238 -11.6200 -11.6200 -11.2135 -11.2135 -11.1404 -11.1404 -11.1365 -11.1365 -9.4158 -9.4158 -8.4011 -8.4011 -8.3984 -8.3984 -8.3252 -8.3252 -2.7579 -2.7579 -0.1629 -0.1629 -0.1044 -0.1044 0.2847 0.2847 0.4034 0.4034 0.8001 0.8001 1.0415 1.0415 1.4667 1.4667 1.5407 1.5407 2.0495 2.0495 2.1800 2.1800 2.2243 2.2243 2.8022 2.8022 2.8466 2.8466 3.4200 3.4200 3.8455 3.8455 3.8633 3.8633 5.4900 5.4900 7.0145 7.0145 7.2163 7.2163 8.4602 8.4602 8.4908 8.4908 k = 0.0536 0.0403 0.0000 ( 9737 PWs) bands (ev): -11.6238 -11.6238 -11.6200 -11.6200 -11.2135 -11.2135 -11.1404 -11.1404 -11.1365 -11.1365 -9.4126 -9.4126 -8.4013 -8.4013 -8.3985 -8.3985 -8.3299 -8.3299 -2.7554 -2.7554 -0.1786 -0.1786 -0.0913 -0.0913 0.2836 0.2836 0.4112 0.4112 0.8004 0.8004 1.0531 1.0531 1.4653 1.4653 1.5432 1.5432 2.0463 2.0463 2.1822 2.1822 2.2254 2.2254 2.7989 2.7989 2.8484 2.8484 3.4168 3.4168 3.8370 3.8370 3.8480 3.8480 5.5034 5.5034 7.0249 7.0249 7.2227 7.2227 8.4331 8.4331 8.4622 8.4622 k = 0.0714 0.0538-0.0000 ( 9725 PWs) bands (ev): -11.6238 -11.6238 -11.6200 -11.6200 -11.2135 -11.2135 -11.1404 -11.1404 -11.1365 -11.1365 -9.4082 -9.4082 -8.4015 -8.4015 -8.3988 -8.3988 -8.3365 -8.3365 -2.7520 -2.7520 -0.1949 -0.1949 -0.0788 -0.0788 0.2829 0.2829 0.4211 0.4211 0.8016 0.8016 1.0683 1.0683 1.4635 1.4635 1.5466 1.5466 2.0417 2.0417 2.1848 2.1848 2.2274 2.2274 2.7946 2.7946 2.8507 2.8507 3.4124 3.4124 3.8206 3.8206 3.8326 3.8326 5.5207 5.5207 7.0394 7.0394 7.2317 7.2317 8.3961 8.3961 8.4233 8.4233 k = 0.0893 0.0672-0.0000 ( 9717 PWs) bands (ev): -11.6239 -11.6239 -11.6200 -11.6200 -11.2135 -11.2135 -11.1404 -11.1404 -11.1365 -11.1365 -9.4024 -9.4024 -8.4019 -8.4019 -8.3991 -8.3991 -8.3448 -8.3448 -2.7478 -2.7478 -0.2116 -0.2116 -0.0666 -0.0666 0.2831 0.2831 0.4327 0.4327 0.8040 0.8040 1.0862 1.0862 1.4614 1.4614 1.5510 1.5510 2.0359 2.0359 2.1875 2.1875 2.2306 2.2306 2.7894 2.7894 2.8533 2.8533 3.4070 3.4070 3.7952 3.7952 3.8189 3.8189 5.5406 5.5406 7.0579 7.0579 7.2434 7.2434 8.3502 8.3502 8.3753 8.3753 k = 0.1071 0.0807 0.0000 ( 9717 PWs) bands (ev): -11.6239 -11.6239 -11.6200 -11.6200 -11.2135 -11.2135 -11.1405 -11.1405 -11.1365 -11.1365 -9.3955 -9.3955 -8.4023 -8.4023 -8.3994 -8.3994 -8.3548 -8.3548 -2.7427 -2.7427 -0.2287 -0.2287 -0.0549 -0.0549 0.2847 0.2847 0.4455 0.4455 0.8082 0.8082 1.1058 1.1058 1.4592 1.4592 1.5562 1.5562 2.0286 2.0286 2.1900 2.1900 2.2355 2.2355 2.7834 2.7834 2.8560 2.8560 3.4006 3.4006 3.7651 3.7651 3.8038 3.8038 5.5618 5.5618 7.0803 7.0803 7.2578 7.2578 8.2964 8.2964 8.3195 8.3195 k = 0.1250 0.0941-0.0000 ( 9721 PWs) bands (ev): -11.6239 -11.6239 -11.6200 -11.6200 -11.2136 -11.2136 -11.1405 -11.1405 -11.1365 -11.1365 -9.3874 -9.3874 -8.4027 -8.4027 -8.3999 -8.3999 -8.3665 -8.3665 -2.7368 -2.7368 -0.2462 -0.2462 -0.0435 -0.0435 0.2878 0.2878 0.4592 0.4592 0.8142 0.8142 1.1263 1.1263 1.4573 1.4573 1.5622 1.5622 2.0199 2.0199 2.1922 2.1922 2.2421 2.2421 2.7767 2.7767 2.8588 2.8588 3.3934 3.3934 3.7322 3.7322 3.7867 3.7867 5.5830 5.5830 7.1066 7.1066 7.2749 7.2749 8.2360 8.2360 8.2572 8.2572 k = 0.1429 0.1076-0.0000 ( 9729 PWs) bands (ev): -11.6240 -11.6240 -11.6199 -11.6199 -11.2136 -11.2136 -11.1405 -11.1405 -11.1365 -11.1365 -9.3780 -9.3780 -8.4032 -8.4032 -8.4004 -8.4004 -8.3798 -8.3798 -2.7303 -2.7303 -0.2639 -0.2639 -0.0323 -0.0323 0.2926 0.2926 0.4734 0.4734 0.8223 0.8223 1.1467 1.1467 1.4559 1.4559 1.5690 1.5690 2.0097 2.0097 2.1942 2.1942 2.2504 2.2504 2.7694 2.7694 2.8618 2.8618 3.3856 3.3856 3.6976 3.6976 3.7676 3.7676 5.6028 5.6028 7.1364 7.1364 7.2946 7.2946 8.1702 8.1702 8.1897 8.1897 k = 0.1607 0.1210 0.0000 ( 9745 PWs) bands (ev): -11.6241 -11.6241 -11.6199 -11.6199 -11.2137 -11.2137 -11.1406 -11.1406 -11.1365 -11.1365 -9.3676 -9.3676 -8.4038 -8.4038 -8.4016 -8.4016 -8.3940 -8.3940 -2.7233 -2.7233 -0.2818 -0.2818 -0.0210 -0.0210 0.2990 0.2990 0.4880 0.4880 0.8323 0.8323 1.1661 1.1661 1.4554 1.4554 1.5765 1.5765 1.9980 1.9980 2.1962 2.1962 2.2601 2.2601 2.7614 2.7614 2.8647 2.8647 3.3773 3.3773 3.6621 3.6621 3.7467 3.7467 5.6201 5.6201 7.1697 7.1697 7.3164 7.3164 8.1002 8.1002 8.1184 8.1184 k = 0.1786 0.1345 0.0000 ( 9753 PWs) bands (ev): -11.6242 -11.6242 -11.6199 -11.6199 -11.2137 -11.2137 -11.1406 -11.1406 -11.1365 -11.1365 -9.3560 -9.3560 -8.4119 -8.4119 -8.4044 -8.4044 -8.4005 -8.4005 -2.7157 -2.7157 -0.2998 -0.2998 -0.0096 -0.0096 0.3070 0.3070 0.5029 0.5029 0.8442 0.8442 1.1835 1.1835 1.4563 1.4563 1.5848 1.5848 1.9850 1.9850 2.1984 2.1984 2.2711 2.2711 2.7529 2.7529 2.8677 2.8677 3.3688 3.3688 3.6265 3.6265 3.7242 3.7242 5.6342 5.6342 7.2061 7.2061 7.3400 7.3400 8.0274 8.0274 8.0445 8.0445 k = 0.1964 0.1479-0.0000 ( 9761 PWs) bands (ev): -11.6242 -11.6242 -11.6199 -11.6199 -11.2138 -11.2138 -11.1407 -11.1407 -11.1365 -11.1365 -9.3434 -9.3434 -8.4291 -8.4291 -8.4050 -8.4050 -8.4014 -8.4014 -2.7078 -2.7078 -0.3176 -0.3176 0.0022 0.0022 0.3163 0.3163 0.5180 0.5180 0.8575 0.8575 1.1982 1.1982 1.4591 1.4591 1.5937 1.5937 1.9707 1.9707 2.2011 2.2011 2.2830 2.2830 2.7439 2.7439 2.8706 2.8706 3.3602 3.3602 3.5914 3.5914 3.7004 3.7004 5.6443 5.6443 7.2453 7.2453 7.3646 7.3646 7.9529 7.9529 7.9692 7.9692 k = 0.2143 0.1614-0.0000 ( 9761 PWs) bands (ev): -11.6243 -11.6243 -11.6199 -11.6199 -11.2138 -11.2138 -11.1407 -11.1407 -11.1364 -11.1364 -9.3297 -9.3297 -8.4477 -8.4477 -8.4057 -8.4057 -8.4021 -8.4021 -2.6996 -2.6996 -0.3353 -0.3353 0.0145 0.0145 0.3267 0.3267 0.5333 0.5333 0.8720 0.8720 1.2095 1.2095 1.4639 1.4639 1.6033 1.6033 1.9553 1.9553 2.2043 2.2043 2.2957 2.2957 2.7344 2.7344 2.8736 2.8736 3.3518 3.3518 3.5574 3.5574 3.6754 3.6754 5.6502 5.6502 7.2867 7.2867 7.3894 7.3894 7.8778 7.8778 7.8934 7.8934 k = 0.2321 0.1748-0.0000 ( 9761 PWs) bands (ev): -11.6243 -11.6243 -11.6199 -11.6199 -11.2139 -11.2139 -11.1408 -11.1408 -11.1364 -11.1364 -9.3151 -9.3151 -8.4675 -8.4675 -8.4063 -8.4063 -8.4027 -8.4027 -2.6913 -2.6913 -0.3526 -0.3526 0.0274 0.0274 0.3379 0.3379 0.5487 0.5487 0.8870 0.8870 1.2172 1.2172 1.4709 1.4709 1.6133 1.6133 1.9392 1.9392 2.2080 2.2080 2.3090 2.3090 2.7246 2.7246 2.8765 2.8765 3.3437 3.3437 3.5248 3.5248 3.6497 3.6497 5.6518 5.6518 7.3291 7.3291 7.4139 7.4139 7.8032 7.8032 7.8181 7.8181 k = 0.2500 0.1883-0.0000 ( 9757 PWs) bands (ev): -11.6244 -11.6244 -11.6199 -11.6199 -11.2139 -11.2139 -11.1408 -11.1408 -11.1364 -11.1364 -9.2997 -9.2997 -8.4882 -8.4882 -8.4070 -8.4070 -8.4033 -8.4033 -2.6830 -2.6830 -0.3695 -0.3695 0.0411 0.0411 0.3496 0.3496 0.5642 0.5642 0.9021 0.9021 1.2216 1.2216 1.4797 1.4797 1.6237 1.6237 1.9226 1.9226 2.2123 2.2123 2.3226 2.3226 2.7145 2.7145 2.8792 2.8792 3.3361 3.3361 3.4940 3.4940 3.6234 3.6234 5.6492 5.6492 7.3703 7.3703 7.4383 7.4383 7.7303 7.7303 7.7442 7.7442 k = 0.2679 0.2017-0.0000 ( 9765 PWs) bands (ev): -11.6245 -11.6245 -11.6198 -11.6198 -11.2140 -11.2140 -11.1409 -11.1409 -11.1364 -11.1364 -9.2834 -9.2834 -8.5097 -8.5097 -8.4077 -8.4077 -8.4039 -8.4039 -2.6747 -2.6747 -0.3857 -0.3857 0.0557 0.0557 0.3614 0.3614 0.5799 0.5799 0.9165 0.9165 1.2234 1.2234 1.4900 1.4900 1.6341 1.6341 1.9060 1.9060 2.2172 2.2172 2.3364 2.3364 2.7043 2.7043 2.8819 2.8819 3.3290 3.3290 3.4653 3.4653 3.5969 3.5969 5.6430 5.6430 7.4052 7.4052 7.4656 7.4656 7.6603 7.6603 7.6725 7.6725 k = 0.2857 0.2152-0.0000 ( 9773 PWs) bands (ev): -11.6245 -11.6245 -11.6198 -11.6198 -11.2140 -11.2140 -11.1409 -11.1409 -11.1364 -11.1364 -9.2665 -9.2665 -8.5318 -8.5318 -8.4084 -8.4084 -8.4045 -8.4045 -2.6666 -2.6666 -0.4013 -0.4013 0.0712 0.0712 0.3731 0.3731 0.5957 0.5957 0.9294 0.9294 1.2234 1.2234 1.5010 1.5010 1.6443 1.6443 1.8899 1.8899 2.2224 2.2224 2.3500 2.3500 2.6941 2.6941 2.8844 2.8844 3.3225 3.3225 3.4389 3.4389 3.5703 3.5703 5.6335 5.6335 7.4261 7.4261 7.4996 7.4996 7.5954 7.5954 7.6045 7.6045 k = 0.3036 0.2286-0.0000 ( 9766 PWs) bands (ev): -11.6246 -11.6246 -11.6198 -11.6198 -11.2141 -11.2141 -11.1409 -11.1409 -11.1364 -11.1364 -9.2490 -9.2490 -8.5543 -8.5543 -8.4090 -8.4090 -8.4051 -8.4051 -2.6587 -2.6587 -0.4160 -0.4160 0.0875 0.0875 0.3842 0.3842 0.6117 0.6117 0.9400 0.9400 1.2228 1.2228 1.5122 1.5122 1.6537 1.6537 1.8748 1.8748 2.2281 2.2281 2.3634 2.3634 2.6841 2.6841 2.8867 2.8867 3.3166 3.3166 3.4150 3.4150 3.5441 3.5441 5.6215 5.6215 7.4303 7.4303 7.5188 7.5188 7.5363 7.5363 7.5639 7.5639 k = 0.3214 0.2421-0.0000 ( 9766 PWs) bands (ev): -11.6246 -11.6246 -11.6198 -11.6198 -11.2141 -11.2141 -11.1410 -11.1410 -11.1364 -11.1364 -9.2311 -9.2311 -8.5770 -8.5770 -8.4096 -8.4096 -8.4056 -8.4056 -2.6512 -2.6512 -0.4298 -0.4298 0.1045 0.1045 0.3944 0.3944 0.6278 0.6278 0.9474 0.9474 1.2227 1.2227 1.5231 1.5231 1.6619 1.6619 1.8613 1.8613 2.2340 2.2340 2.3761 2.3761 2.6745 2.6745 2.8889 2.8889 3.3112 3.3112 3.3939 3.3939 3.5185 3.5185 5.6076 5.6076 7.4135 7.4135 7.4713 7.4713 7.4918 7.4918 7.5986 7.5986 k = 0.3393 0.2555 0.0000 ( 9770 PWs) bands (ev): -11.6247 -11.6247 -11.6198 -11.6198 -11.2142 -11.2142 -11.1410 -11.1410 -11.1364 -11.1364 -9.2130 -9.2130 -8.5997 -8.5997 -8.4102 -8.4102 -8.4062 -8.4062 -2.6442 -2.6442 -0.4426 -0.4426 0.1222 0.1222 0.4033 0.4033 0.6440 0.6440 0.9510 0.9510 1.2239 1.2239 1.5333 1.5333 1.6684 1.6684 1.8499 1.8499 2.2400 2.2400 2.3881 2.3881 2.6655 2.6655 2.8907 2.8907 3.3061 3.3061 3.3757 3.3757 3.4937 3.4937 5.5926 5.5926 7.3751 7.3751 7.4146 7.4146 7.4707 7.4707 7.6437 7.6437 k = 0.3571 0.2690 0.0000 ( 9770 PWs) bands (ev): -11.6248 -11.6248 -11.6197 -11.6197 -11.2142 -11.2142 -11.1411 -11.1411 -11.1364 -11.1364 -9.1949 -9.1949 -8.6221 -8.6221 -8.4108 -8.4108 -8.4066 -8.4066 -2.6377 -2.6377 -0.4542 -0.4542 0.1403 0.1403 0.4109 0.4109 0.6602 0.6602 0.9506 0.9506 1.2268 1.2268 1.5426 1.5426 1.6728 1.6728 1.8412 1.8412 2.2460 2.2460 2.3990 2.3990 2.6572 2.6572 2.8923 2.8923 3.3010 3.3010 3.3609 3.3609 3.4702 3.4702 5.5771 5.5771 7.3293 7.3293 7.3619 7.3619 7.4572 7.4572 7.6887 7.6887 k = 0.3750 0.2824-0.0000 ( 9762 PWs) bands (ev): -11.6248 -11.6248 -11.6197 -11.6197 -11.2142 -11.2142 -11.1411 -11.1411 -11.1364 -11.1364 -9.1770 -9.1770 -8.6438 -8.6438 -8.4113 -8.4113 -8.4071 -8.4071 -2.6317 -2.6317 -0.4647 -0.4647 0.1585 0.1585 0.4167 0.4167 0.6763 0.6763 0.9464 0.9464 1.2315 1.2315 1.5508 1.5508 1.6750 1.6750 1.8351 1.8351 2.2519 2.2519 2.4086 2.4086 2.6499 2.6499 2.8937 2.8937 3.2956 3.2956 3.3496 3.3496 3.4480 3.4480 5.5617 5.5617 7.2848 7.2848 7.3143 7.3143 7.4444 7.4444 7.7317 7.7317 k = 0.3929 0.2959-0.0000 ( 9766 PWs) bands (ev): -11.6249 -11.6249 -11.6197 -11.6197 -11.2143 -11.2143 -11.1411 -11.1411 -11.1363 -11.1363 -9.1597 -9.1597 -8.6645 -8.6645 -8.4117 -8.4117 -8.4075 -8.4075 -2.6265 -2.6265 -0.4738 -0.4738 0.1764 0.1764 0.4207 0.4207 0.6923 0.6923 0.9389 0.9389 1.2375 1.2375 1.5578 1.5578 1.6754 1.6754 1.8315 1.8315 2.2574 2.2574 2.4167 2.4167 2.6437 2.6437 2.8947 2.8947 3.2899 3.2899 3.3418 3.3418 3.4276 3.4276 5.5472 5.5472 7.2444 7.2444 7.2721 7.2721 7.4313 7.4313 7.7715 7.7715 k = 0.4107 0.3093 0.0000 ( 9758 PWs) bands (ev): -11.6249 -11.6249 -11.6197 -11.6197 -11.2143 -11.2143 -11.1411 -11.1411 -11.1364 -11.1364 -9.1435 -9.1435 -8.6837 -8.6837 -8.4121 -8.4121 -8.4078 -8.4078 -2.6219 -2.6219 -0.4817 -0.4817 0.1935 0.1935 0.4230 0.4230 0.7077 0.7077 0.9291 0.9291 1.2442 1.2442 1.5634 1.5634 1.6744 1.6744 1.8299 1.8299 2.2625 2.2625 2.4233 2.4233 2.6387 2.6387 2.8955 2.8955 3.2842 3.2842 3.3370 3.3370 3.4092 3.4092 5.5340 5.5340 7.2093 7.2093 7.2359 7.2359 7.4185 7.4185 7.8071 7.8071 k = 0.4286 0.3228-0.0000 ( 9762 PWs) bands (ev): -11.6249 -11.6249 -11.6197 -11.6197 -11.2143 -11.2143 -11.1412 -11.1412 -11.1363 -11.1363 -9.1288 -9.1288 -8.7008 -8.7008 -8.4124 -8.4124 -8.4081 -8.4081 -2.6182 -2.6182 -0.4882 -0.4882 0.2093 0.2093 0.4237 0.4237 0.7224 0.7224 0.9180 0.9180 1.2508 1.2508 1.5677 1.5677 1.6728 1.6728 1.8295 1.8295 2.2669 2.2669 2.4284 2.4284 2.6349 2.6349 2.8961 2.8961 3.2790 3.2790 3.3346 3.3346 3.3929 3.3929 5.5226 5.5226 7.1801 7.1801 7.2059 7.2059 7.4067 7.4067 7.8377 7.8377 k = 0.4464 0.3362-0.0000 ( 9770 PWs) bands (ev): -11.6249 -11.6249 -11.6197 -11.6197 -11.2143 -11.2143 -11.1412 -11.1412 -11.1363 -11.1363 -9.1163 -9.1163 -8.7153 -8.7153 -8.4127 -8.4127 -8.4084 -8.4084 -2.6152 -2.6152 -0.4933 -0.4933 0.2229 0.2229 0.4232 0.4232 0.7357 0.7357 0.9069 0.9069 1.2567 1.2567 1.5707 1.5707 1.6712 1.6712 1.8299 1.8299 2.2706 2.2706 2.4321 2.4321 2.6322 2.6322 2.8965 2.8965 3.2748 3.2748 3.3340 3.3340 3.3792 3.3792 5.5133 5.5133 7.1570 7.1570 7.1823 7.1823 7.3966 7.3966 7.8624 7.8624 k = 0.4643 0.3497 0.0000 ( 9774 PWs) bands (ev): -11.6250 -11.6250 -11.6197 -11.6197 -11.2144 -11.2144 -11.1412 -11.1412 -11.1364 -11.1364 -9.1067 -9.1067 -8.7263 -8.7263 -8.4129 -8.4129 -8.4085 -8.4085 -2.6130 -2.6130 -0.4970 -0.4970 0.2336 0.2336 0.4222 0.4222 0.7468 0.7468 0.8971 0.8971 1.2613 1.2613 1.5727 1.5727 1.6699 1.6699 1.8305 1.8305 2.2733 2.2733 2.4345 2.4345 2.6304 2.6304 2.8967 2.8967 3.2717 3.2717 3.3347 3.3347 3.3684 3.3684 5.5064 5.5064 7.1404 7.1404 7.1653 7.1653 7.3889 7.3889 7.8806 7.8806 k = 0.4821 0.3631 0.0000 ( 9782 PWs) bands (ev): -11.6250 -11.6250 -11.6197 -11.6197 -11.2144 -11.2144 -11.1412 -11.1412 -11.1364 -11.1364 -9.1006 -9.1006 -8.7332 -8.7332 -8.4130 -8.4130 -8.4086 -8.4086 -2.6118 -2.6118 -0.4992 -0.4992 0.2405 0.2405 0.4212 0.4212 0.7543 0.7543 0.8902 0.8902 1.2642 1.2642 1.5737 1.5737 1.6691 1.6691 1.8310 1.8310 2.2750 2.2750 2.4359 2.4359 2.6294 2.6294 2.8969 2.8969 3.2698 3.2698 3.3360 3.3360 3.3609 3.3609 5.5022 5.5022 7.1303 7.1303 7.1550 7.1550 7.3841 7.3841 7.8917 7.8917 k = 0.5000 0.3766-0.0000 ( 9790 PWs) bands (ev): -11.6250 -11.6250 -11.6197 -11.6197 -11.2144 -11.2144 -11.1412 -11.1412 -11.1364 -11.1364 -9.0986 -9.0986 -8.7356 -8.7356 -8.4130 -8.4130 -8.4087 -8.4087 -2.6113 -2.6113 -0.4999 -0.4999 0.2429 0.2429 0.4208 0.4208 0.7570 0.7570 0.8876 0.8876 1.2652 1.2652 1.5740 1.5740 1.6689 1.6689 1.8311 1.8311 2.2755 2.2755 2.4363 2.4363 2.6291 2.6291 2.8969 2.8969 3.2692 3.2692 3.3367 3.3367 3.3581 3.3581 5.5008 5.5008 7.1270 7.1270 7.1516 7.1516 7.3825 7.3825 7.8955 7.8955 k = 0.5000 0.3766-0.0000 ( 9790 PWs) bands (ev): -11.6250 -11.6250 -11.6197 -11.6197 -11.2144 -11.2144 -11.1412 -11.1412 -11.1364 -11.1364 -9.0986 -9.0986 -8.7356 -8.7356 -8.4130 -8.4130 -8.4087 -8.4087 -2.6113 -2.6113 -0.4999 -0.4999 0.2429 0.2429 0.4208 0.4208 0.7570 0.7570 0.8876 0.8876 1.2652 1.2652 1.5740 1.5740 1.6689 1.6689 1.8311 1.8311 2.2755 2.2755 2.4363 2.4363 2.6291 2.6291 2.8969 2.8969 3.2692 3.2692 3.3367 3.3367 3.3581 3.3581 5.5008 5.5008 7.1270 7.1270 7.1516 7.1516 7.3825 7.3825 7.8955 7.8955 k = 0.4906 0.3891 0.0157 ( 9778 PWs) bands (ev): -11.6250 -11.6249 -11.6197 -11.6197 -11.2145 -11.2143 -11.1412 -11.1412 -11.1364 -11.1363 -9.0983 -9.0983 -8.7354 -8.7352 -8.4134 -8.4133 -8.4090 -8.4088 -2.6114 -2.6104 -0.5018 -0.4967 0.2353 0.2476 0.4022 0.4387 0.7436 0.7678 0.8867 0.8894 1.2518 1.2778 1.5642 1.5829 1.6547 1.6838 1.8213 1.8414 2.2740 2.2758 2.4261 2.4450 2.6229 2.6361 2.8922 2.9028 3.2645 3.2739 3.3300 3.3432 3.3572 3.3599 5.4993 5.5058 7.1278 7.1294 7.1500 7.1563 7.3823 7.3903 7.8961 7.8996 k = 0.4811 0.4016 0.0313 ( 9782 PWs) bands (ev): -11.6251 -11.6249 -11.6197 -11.6197 -11.2146 -11.2143 -11.1412 -11.1412 -11.1364 -11.1363 -9.0976 -9.0975 -8.7347 -8.7342 -8.4147 -8.4146 -8.4096 -8.4091 -2.6108 -2.6088 -0.5024 -0.4921 0.2253 0.2488 0.3836 0.4553 0.7282 0.7757 0.8870 0.8915 1.2378 1.2894 1.5535 1.5903 1.6425 1.6989 1.8123 1.8519 2.2711 2.2745 2.4146 2.4520 2.6180 2.6435 2.8889 2.9100 3.2598 3.2785 3.3235 3.3484 3.3585 3.3622 5.5013 5.5143 7.1318 7.1348 7.1515 7.1642 7.3899 7.4056 7.9016 7.9085 k = 0.4717 0.4141 0.0470 ( 9770 PWs) bands (ev): -11.6251 -11.6248 -11.6198 -11.6196 -11.2146 -11.2142 -11.1412 -11.1412 -11.1365 -11.1363 -9.0964 -9.0963 -8.7333 -8.7326 -8.4176 -8.4174 -8.4097 -8.4090 -2.6094 -2.6064 -0.5018 -0.4863 0.2132 0.2459 0.3658 0.4704 0.7113 0.7805 0.8884 0.8938 1.2234 1.2997 1.5418 1.5945 1.6345 1.7131 1.8047 1.8621 2.2670 2.2717 2.4024 2.4569 2.6148 2.6510 2.8868 2.9180 3.2552 3.2826 3.3177 3.3509 3.3632 3.3652 5.5066 5.5260 7.1390 7.1431 7.1560 7.1755 7.4052 7.4280 7.9118 7.9220 k = 0.4623 0.4266 0.0627 ( 9766 PWs) bands (ev): -11.6251 -11.6248 -11.6198 -11.6196 -11.2147 -11.2141 -11.1412 -11.1412 -11.1365 -11.1362 -9.0947 -9.0946 -8.7314 -8.7304 -8.4220 -8.4217 -8.4093 -8.4085 -2.6073 -2.6033 -0.5000 -0.4792 0.1993 0.2384 0.3497 0.4835 0.6935 0.7825 0.8900 0.8969 1.2088 1.3084 1.5293 1.5931 1.6333 1.7256 1.7996 1.8718 2.2617 2.2673 2.3897 2.4601 2.6137 2.6583 2.8858 2.9269 3.2506 3.2850 3.3135 3.3524 3.3672 3.3716 5.5152 5.5410 7.1493 7.1539 7.1640 7.1903 7.4279 7.4573 7.9269 7.9402 k = 0.4529 0.4391 0.0783 ( 9772 PWs) bands (ev): -11.6252 -11.6247 -11.6199 -11.6196 -11.2148 -11.2141 -11.1412 -11.1412 -11.1366 -11.1362 -9.0926 -9.0925 -8.7289 -8.7276 -8.4277 -8.4274 -8.4087 -8.4078 -2.6046 -2.5995 -0.4970 -0.4710 0.1839 0.2262 0.3354 0.4945 0.6752 0.7824 0.8904 0.9013 1.1941 1.3149 1.5162 1.5866 1.6384 1.7347 1.7983 1.8807 2.2553 2.2612 2.3772 2.4618 2.6146 2.6654 2.8857 2.9361 3.2459 3.2843 3.3128 3.3543 3.3705 3.3800 5.5268 5.5589 7.1622 7.1665 7.1761 7.2089 7.4578 7.4930 7.9468 7.9631 k = 0.4434 0.4517 0.0940 ( 9770 PWs) bands (ev): -11.6252 -11.6247 -11.6199 -11.6196 -11.2149 -11.2140 -11.1412 -11.1411 -11.1366 -11.1362 -9.0901 -9.0900 -8.7258 -8.7243 -8.4347 -8.4343 -8.4078 -8.4067 -2.6013 -2.5952 -0.4931 -0.4618 0.1671 0.2101 0.3228 0.5031 0.6567 0.7811 0.8891 0.9066 1.1793 1.3191 1.5029 1.5779 1.6468 1.7391 1.8020 1.8886 2.2478 2.2534 2.3651 2.4624 2.6174 2.6722 2.8865 2.9455 3.2412 3.2800 3.3159 3.3569 3.3741 3.3893 5.5412 5.5795 7.1772 7.1802 7.1932 7.2314 7.4944 7.5349 7.9715 7.9905 k = 0.4340 0.4642 0.1097 ( 9770 PWs) bands (ev): -11.6253 -11.6247 -11.6200 -11.6196 -11.2150 -11.2140 -11.1413 -11.1411 -11.1367 -11.1362 -9.0873 -9.0872 -8.7222 -8.7205 -8.4427 -8.4423 -8.4067 -8.4055 -2.5975 -2.5905 -0.4883 -0.4517 0.1489 0.1915 0.3111 0.5092 0.6386 0.7793 0.8863 0.9122 1.1648 1.3203 1.4897 1.5686 1.6567 1.7392 1.8102 1.8952 2.2392 2.2441 2.3539 2.4627 2.6217 2.6788 2.8878 2.9549 3.2363 3.2737 3.3213 3.3603 3.3782 3.3991 5.5581 5.6025 7.1941 7.1953 7.2147 7.2578 7.5373 7.5827 8.0011 8.0224 k = 0.4246 0.4767 0.1254 ( 9768 PWs) bands (ev): -11.6253 -11.6246 -11.6200 -11.6197 -11.2151 -11.2140 -11.1413 -11.1411 -11.1367 -11.1362 -9.0842 -9.0841 -8.7180 -8.7161 -8.4517 -8.4512 -8.4055 -8.4041 -2.5934 -2.5853 -0.4828 -0.4409 0.1292 0.1720 0.2994 0.5128 0.6211 0.7777 0.8819 0.9174 1.1505 1.3184 1.4772 1.5588 1.6676 1.7368 1.8207 1.9006 2.2293 2.2338 2.3440 2.4630 2.6274 2.6853 2.8895 2.9639 3.2313 3.2667 3.3278 3.3645 3.3830 3.4095 5.5772 5.6274 7.2119 7.2131 7.2399 7.2878 7.5858 7.6358 8.0355 8.0587 k = 0.4152 0.4892 0.1410 ( 9778 PWs) bands (ev): -11.6254 -11.6246 -11.6201 -11.6197 -11.2153 -11.2140 -11.1413 -11.1411 -11.1368 -11.1362 -9.0809 -9.0808 -8.7133 -8.7112 -8.4616 -8.4610 -8.4040 -8.4025 -2.5889 -2.5799 -0.4769 -0.4297 0.1082 0.1531 0.2871 0.5139 0.6047 0.7766 0.8761 0.9221 1.1368 1.3131 1.4657 1.5485 1.6788 1.7336 1.8316 1.9049 2.2180 2.2231 2.3355 2.4636 2.6341 2.6919 2.8915 2.9723 3.2260 3.2596 3.3350 3.3693 3.3886 3.4201 5.5982 5.6541 7.2307 7.2335 7.2682 7.3212 7.6395 7.6939 8.0746 8.0994 k = 0.4057 0.5017 0.1567 ( 9786 PWs) bands (ev): -11.6254 -11.6246 -11.6201 -11.6197 -11.2154 -11.2140 -11.1413 -11.1411 -11.1368 -11.1362 -9.0775 -9.0774 -8.7081 -8.7058 -8.4721 -8.4714 -8.4024 -8.4008 -2.5844 -2.5744 -0.4706 -0.4184 0.0859 0.1358 0.2739 0.5124 0.5900 0.7761 0.8689 0.9260 1.1238 1.3044 1.4552 1.5376 1.6896 1.7311 1.8412 1.9088 2.2054 2.2124 2.3285 2.4648 2.6416 2.6985 2.8936 2.9802 3.2207 3.2530 3.3424 3.3747 3.3949 3.4310 5.6207 5.6819 7.2511 7.2557 7.2992 7.3575 7.6980 7.7567 8.1184 8.1443 k = 0.3963 0.5142 0.1724 ( 9792 PWs) bands (ev): -11.6254 -11.6246 -11.6202 -11.6198 -11.2155 -11.2140 -11.1413 -11.1411 -11.1369 -11.1362 -9.0741 -9.0739 -8.7025 -8.7000 -8.4832 -8.4824 -8.4007 -8.3989 -2.5797 -2.5689 -0.4644 -0.4073 0.0628 0.1208 0.2597 0.5086 0.5773 0.7763 0.8605 0.9288 1.1118 1.2926 1.4456 1.5261 1.6979 1.7313 1.8476 1.9132 2.1924 2.2017 2.3231 2.4664 2.6497 2.7054 2.8959 2.9873 3.2151 3.2470 3.3501 3.3803 3.4018 3.4418 5.6445 5.7107 7.2732 7.2795 7.3324 7.3961 7.7605 7.8234 8.1668 8.1934 k = 0.3869 0.5268 0.1880 ( 9784 PWs) bands (ev): -11.6254 -11.6245 -11.6203 -11.6198 -11.2156 -11.2140 -11.1412 -11.1410 -11.1369 -11.1362 -9.0708 -9.0706 -8.6964 -8.6937 -8.4946 -8.4938 -8.3988 -8.3969 -2.5752 -2.5635 -0.4585 -0.3969 0.0397 0.1085 0.2443 0.5028 0.5669 0.7770 0.8509 0.9305 1.1011 1.2780 1.4368 1.5138 1.7009 1.7370 1.8496 1.9192 2.1792 2.1912 2.3192 2.4685 2.6584 2.7126 2.8983 2.9937 3.2096 3.2418 3.3578 3.3863 3.4093 3.4526 5.6691 5.7399 7.2966 7.3051 7.3672 7.4365 7.8266 7.8937 8.2196 8.2465 k = 0.3775 0.5393 0.2037 ( 9768 PWs) bands (ev): -11.6254 -11.6245 -11.6203 -11.6198 -11.2156 -11.2140 -11.1412 -11.1410 -11.1370 -11.1362 -9.0678 -9.0675 -8.6898 -8.6869 -8.5062 -8.5052 -8.3968 -8.3948 -2.5709 -2.5583 -0.4531 -0.3876 0.0171 0.0991 0.2281 0.4953 0.5589 0.7781 0.8405 0.9307 1.0921 1.2612 1.4284 1.5009 1.6990 1.7476 1.8471 1.9268 2.1663 2.1814 2.3168 2.4709 2.6674 2.7202 2.9007 2.9994 3.2044 3.2377 3.3653 3.3924 3.4169 3.4629 5.6944 5.7692 7.3213 7.3322 7.4032 7.4779 7.8957 7.9668 8.2767 8.3033 k = 0.3680 0.5518 0.2194 ( 9770 PWs) bands (ev): -11.6254 -11.6245 -11.6204 -11.6199 -11.2157 -11.2140 -11.1412 -11.1410 -11.1370 -11.1362 -9.0651 -9.0648 -8.6829 -8.6799 -8.5177 -8.5167 -8.3947 -8.3926 -2.5669 -2.5535 -0.4485 -0.3798 -0.0044 0.0928 0.2110 0.4869 0.5534 0.7795 0.8297 0.9294 1.0850 1.2425 1.4200 1.4874 1.6945 1.7598 1.8411 1.9352 2.1537 2.1727 2.3158 2.4735 2.6768 2.7281 2.9033 3.0045 3.1995 3.2345 3.3726 3.3986 3.4245 3.4727 5.7200 5.7982 7.3470 7.3607 7.4395 7.5195 7.9670 8.0421 8.3376 8.3635 k = 0.3586 0.5643 0.2350 ( 9762 PWs) bands (ev): -11.6254 -11.6244 -11.6204 -11.6199 -11.2158 -11.2140 -11.1412 -11.1409 -11.1370 -11.1362 -9.0629 -9.0626 -8.6756 -8.6724 -8.5290 -8.5278 -8.3924 -8.3902 -2.5633 -2.5492 -0.4450 -0.3740 -0.0243 0.0899 0.1936 0.4781 0.5502 0.7807 0.8189 0.9265 1.0800 1.2223 1.4115 1.4735 1.6887 1.7709 1.8341 1.9432 2.1414 2.1656 2.3162 2.4761 2.6863 2.7364 2.9061 3.0091 3.1952 3.2324 3.3795 3.4048 3.4316 3.4816 5.7457 5.8265 7.3738 7.3906 7.4758 7.5607 8.0399 8.1187 8.4019 8.4268 k = 0.3492 0.5768 0.2507 ( 9752 PWs) bands (ev): -11.6254 -11.6244 -11.6204 -11.6200 -11.2158 -11.2140 -11.1411 -11.1409 -11.1371 -11.1363 -9.0615 -9.0612 -8.6681 -8.6647 -8.5397 -8.5384 -8.3901 -8.3878 -2.5603 -2.5456 -0.4428 -0.3705 -0.0424 0.0901 0.1762 0.4693 0.5493 0.7807 0.8095 0.9222 1.0771 1.2008 1.4025 1.4595 1.6820 1.7770 1.8302 1.9498 2.1294 2.1606 2.3180 2.4788 2.6960 2.7450 2.9091 3.0132 3.1919 3.2313 3.3858 3.4107 3.4381 3.4896 5.7712 5.8539 7.4014 7.4217 7.5113 7.6006 8.1135 8.1957 8.4689 8.4923 k = 0.3398 0.5893 0.2664 ( 9752 PWs) bands (ev): -11.6254 -11.6244 -11.6205 -11.6200 -11.2159 -11.2140 -11.1411 -11.1409 -11.1371 -11.1363 -9.0609 -9.0606 -8.6602 -8.6567 -8.5496 -8.5481 -8.3876 -8.3853 -2.5579 -2.5426 -0.4420 -0.3694 -0.0585 0.0926 0.1601 0.4606 0.5509 0.7776 0.8037 0.9166 1.0761 1.1784 1.3927 1.4458 1.6745 1.7739 1.8339 1.9544 2.1177 2.1578 2.3211 2.4813 2.7056 2.7538 2.9125 3.0169 3.1895 3.2313 3.3914 3.4162 3.4437 3.4964 5.7964 5.8801 7.4297 7.4538 7.5456 7.6387 8.1869 8.2721 8.5375 8.5593 k = 0.3303 0.6019 0.2820 ( 9744 PWs) bands (ev): -11.6254 -11.6244 -11.6205 -11.6200 -11.2159 -11.2140 -11.1411 -11.1408 -11.1371 -11.1363 -9.0614 -9.0611 -8.6522 -8.6486 -8.5585 -8.5568 -8.3851 -8.3827 -2.5563 -2.5405 -0.4426 -0.3706 -0.0726 0.0946 0.1478 0.4520 0.5552 0.7706 0.8029 0.9101 1.0766 1.1552 1.3820 1.4326 1.6661 1.7636 1.8438 1.9568 2.1066 2.1572 2.3258 2.4837 2.7150 2.7626 2.9164 3.0205 3.1882 3.2325 3.3961 3.4211 3.4483 3.5020 5.8210 5.9048 7.4587 7.4867 7.5780 7.6742 8.2591 8.3466 8.6063 8.6264 k = 0.3209 0.6144 0.2977 ( 9752 PWs) bands (ev): -11.6254 -11.6244 -11.6206 -11.6201 -11.2160 -11.2140 -11.1411 -11.1408 -11.1371 -11.1363 -9.0632 -9.0629 -8.6441 -8.6403 -8.5661 -8.5641 -8.3826 -8.3800 -2.5554 -2.5393 -0.4446 -0.3738 -0.0846 0.0908 0.1446 0.4433 0.5625 0.7616 0.8054 0.9033 1.0782 1.1314 1.3702 1.4204 1.6566 1.7504 1.8559 1.9568 2.0963 2.1585 2.3318 2.4858 2.7241 2.7714 2.9208 3.0239 3.1880 3.2348 3.3996 3.4252 3.4518 3.5063 5.8450 5.9278 7.4883 7.5202 7.6083 7.7068 8.3289 8.4178 8.6731 8.6915 k = 0.3209 0.6144 0.2977 ( 9752 PWs) bands (ev): -11.6254 -11.6244 -11.6206 -11.6201 -11.2160 -11.2140 -11.1411 -11.1408 -11.1371 -11.1363 -9.0632 -9.0629 -8.6441 -8.6403 -8.5661 -8.5641 -8.3826 -8.3800 -2.5554 -2.5393 -0.4446 -0.3738 -0.0846 0.0908 0.1446 0.4433 0.5625 0.7616 0.8054 0.9033 1.0782 1.1314 1.3702 1.4204 1.6566 1.7504 1.8559 1.9568 2.0963 2.1585 2.3318 2.4858 2.7241 2.7714 2.9208 3.0239 3.1880 3.2348 3.3996 3.4252 3.4518 3.5063 5.8450 5.9278 7.4883 7.5202 7.6083 7.7068 8.3289 8.4178 8.6731 8.6915 k = 0.3008 0.6085 0.3051 ( 9747 PWs) bands (ev): -11.6254 -11.6243 -11.6206 -11.6201 -11.2160 -11.2141 -11.1411 -11.1408 -11.1371 -11.1363 -9.0650 -9.0647 -8.6404 -8.6366 -8.5682 -8.5660 -8.3815 -8.3789 -2.5555 -2.5392 -0.4457 -0.3759 -0.0902 0.0828 0.1500 0.4390 0.5672 0.7563 0.8072 0.9014 1.0795 1.1190 1.3640 1.4149 1.6524 1.7436 1.8621 1.9558 2.0921 2.1595 2.3345 2.4859 2.7285 2.7753 2.9236 3.0257 3.1886 3.2361 3.3989 3.4213 3.4595 3.5091 5.8567 5.9385 7.5036 7.5381 7.6217 7.7200 8.3619 8.4505 8.7015 8.7198 k = 0.2808 0.6026 0.3124 ( 9751 PWs) bands (ev): -11.6253 -11.6243 -11.6206 -11.6202 -11.2160 -11.2141 -11.1411 -11.1408 -11.1372 -11.1364 -9.0680 -9.0677 -8.6375 -8.6338 -8.5677 -8.5653 -8.3807 -8.3780 -2.5561 -2.5399 -0.4464 -0.3782 -0.0963 0.0691 0.1614 0.4345 0.5725 0.7498 0.8091 0.9023 1.0816 1.1044 1.3565 1.4104 1.6496 1.7364 1.8686 1.9540 2.0886 2.1605 2.3363 2.4843 2.7332 2.7789 2.9277 3.0279 3.1899 3.2374 3.3945 3.4135 3.4726 3.5136 5.8694 5.9500 7.5215 7.5598 7.6348 7.7309 8.3961 8.4833 8.7258 8.7451 k = 0.2607 0.5967 0.3198 ( 9745 PWs) bands (ev): -11.6253 -11.6243 -11.6206 -11.6202 -11.2160 -11.2141 -11.1411 -11.1408 -11.1371 -11.1364 -9.0719 -9.0716 -8.6362 -8.6328 -8.5642 -8.5614 -8.3802 -8.3775 -2.5571 -2.5412 -0.4466 -0.3806 -0.1028 0.0524 0.1756 0.4305 0.5775 0.7428 0.8110 0.9056 1.0824 1.0896 1.3477 1.4078 1.6478 1.7290 1.8753 1.9518 2.0858 2.1613 2.3373 2.4812 2.7379 2.7821 2.9333 3.0307 3.1918 3.2383 3.3871 3.4063 3.4859 3.5185 5.8832 5.9621 7.5415 7.5850 7.6482 7.7405 8.4305 8.5154 8.7459 8.7675 k = 0.2407 0.5908 0.3272 ( 9732 PWs) bands (ev): -11.6252 -11.6243 -11.6206 -11.6202 -11.2159 -11.2141 -11.1410 -11.1407 -11.1371 -11.1364 -9.0765 -9.0762 -8.6366 -8.6334 -8.5577 -8.5547 -8.3801 -8.3773 -2.5585 -2.5430 -0.4464 -0.3830 -0.1098 0.0341 0.1913 0.4274 0.5813 0.7356 0.8135 0.9106 1.0678 1.0888 1.3379 1.4074 1.6466 1.7215 1.8817 1.9497 2.0836 2.1619 2.3373 2.4765 2.7428 2.7850 2.9403 3.0343 3.1939 3.2387 3.3783 3.3997 3.4980 3.5230 5.8982 5.9747 7.5632 7.6128 7.6629 7.7495 8.4641 8.5463 8.7625 8.7873 k = 0.2206 0.5850 0.3345 ( 9737 PWs) bands (ev): -11.6252 -11.6243 -11.6206 -11.6202 -11.2159 -11.2142 -11.1410 -11.1407 -11.1371 -11.1364 -9.0815 -9.0812 -8.6383 -8.6355 -8.5488 -8.5457 -8.3804 -8.3776 -2.5602 -2.5453 -0.4455 -0.3854 -0.1169 0.0150 0.2078 0.4252 0.5836 0.7283 0.8169 0.9166 1.0486 1.0914 1.3281 1.4090 1.6456 1.7142 1.8879 1.9478 2.0821 2.1622 2.3367 2.4703 2.7476 2.7876 2.9490 3.0387 3.1961 3.2384 3.3692 3.3935 3.5079 3.5268 5.9142 5.9878 7.5856 7.6418 7.6803 7.7593 8.4962 8.5754 8.7764 8.8053 k = 0.2006 0.5791 0.3419 ( 9746 PWs) bands (ev): -11.6252 -11.6243 -11.6207 -11.6203 -11.2159 -11.2142 -11.1410 -11.1407 -11.1371 -11.1365 -9.0866 -9.0863 -8.6408 -8.6384 -8.5385 -8.5352 -8.3811 -8.3783 -2.5620 -2.5479 -0.4442 -0.3877 -0.1242 -0.0045 0.2248 0.4242 0.5841 0.7209 0.8215 0.9229 1.0291 1.0936 1.3197 1.4119 1.6443 1.7074 1.8936 1.9464 2.0814 2.1620 2.3355 2.4628 2.7524 2.7898 2.9592 3.0440 3.1982 3.2374 3.3605 3.3873 3.5151 3.5296 5.9312 6.0011 7.6080 7.6686 7.7032 7.7711 8.5255 8.6017 8.7894 8.8227 k = 0.1805 0.5732 0.3493 ( 9753 PWs) bands (ev): -11.6251 -11.6244 -11.6207 -11.6203 -11.2158 -11.2143 -11.1410 -11.1407 -11.1371 -11.1365 -9.0918 -9.0915 -8.6438 -8.6417 -8.5271 -8.5238 -8.3823 -8.3795 -2.5639 -2.5507 -0.4423 -0.3898 -0.1313 -0.0238 0.2420 0.4243 0.5830 0.7131 0.8273 0.9287 1.0104 1.0945 1.3137 1.4155 1.6425 1.7010 1.8989 1.9455 2.0813 2.1613 2.3341 2.4540 2.7570 2.7917 2.9710 3.0502 3.1998 3.2356 3.3524 3.3811 3.5191 3.5320 5.9489 6.0144 7.6293 7.6900 7.7333 7.7862 8.5512 8.6238 8.8034 8.8406 k = 0.1604 0.5673 0.3566 ( 9765 PWs) bands (ev): -11.6251 -11.6244 -11.6207 -11.6204 -11.2158 -11.2144 -11.1410 -11.1407 -11.1371 -11.1365 -9.0967 -9.0964 -8.6468 -8.6450 -8.5154 -8.5121 -8.3841 -8.3812 -2.5658 -2.5537 -0.4399 -0.3919 -0.1380 -0.0428 0.2593 0.4250 0.5806 0.7047 0.8339 0.9332 0.9941 1.0936 1.3112 1.4192 1.6402 1.6952 1.9038 1.9451 2.0821 2.1599 2.3327 2.4442 2.7615 2.7931 2.9842 3.0574 3.2008 3.2329 3.3452 3.3749 3.5199 3.5337 5.9670 6.0274 7.6489 7.7065 7.7682 7.8059 8.5726 8.6404 8.8207 8.8603 k = 0.1404 0.5614 0.3640 ( 9765 PWs) bands (ev): -11.6251 -11.6244 -11.6207 -11.6204 -11.2157 -11.2145 -11.1410 -11.1407 -11.1371 -11.1366 -9.1014 -9.1011 -8.6498 -8.6483 -8.5036 -8.5003 -8.3863 -8.3834 -2.5676 -2.5567 -0.4371 -0.3940 -0.1441 -0.0610 0.2766 0.4261 0.5776 0.6954 0.8409 0.9343 0.9827 1.0905 1.3125 1.4222 1.6377 1.6898 1.9084 1.9450 2.0838 2.1579 2.3318 2.4336 2.7657 2.7941 2.9987 3.0654 3.2009 3.2293 3.3389 3.3687 3.5187 3.5342 5.9851 6.0397 7.6667 7.7194 7.8046 7.8303 8.5894 8.6510 8.8424 8.8820 k = 0.1203 0.5555 0.3714 ( 9756 PWs) bands (ev): -11.6250 -11.6244 -11.6207 -11.6204 -11.2156 -11.2145 -11.1409 -11.1407 -11.1371 -11.1366 -9.1056 -9.1054 -8.6526 -8.6513 -8.4920 -8.4887 -8.3892 -8.3862 -2.5693 -2.5597 -0.4339 -0.3960 -0.1493 -0.0782 0.2937 0.4268 0.5750 0.6851 0.8480 0.9300 0.9787 1.0853 1.3176 1.4239 1.6355 1.6844 1.9127 1.9450 2.0865 2.1550 2.3315 2.4223 2.7698 2.7947 3.0143 3.0740 3.2000 3.2248 3.3336 3.3624 3.5164 3.5333 6.0028 6.0509 7.6827 7.7293 7.8405 7.8582 8.6021 8.6560 8.8684 8.9056 k = 0.1003 0.5497 0.3787 ( 9754 PWs) bands (ev): -11.6249 -11.6245 -11.6207 -11.6205 -11.2155 -11.2146 -11.1409 -11.1408 -11.1370 -11.1366 -9.1093 -9.1091 -8.6550 -8.6539 -8.4809 -8.4777 -8.3925 -8.3896 -2.5707 -2.5625 -0.4304 -0.3982 -0.1533 -0.0941 0.3106 0.4262 0.5736 0.6735 0.8547 0.9215 0.9814 1.0781 1.3259 1.4238 1.6341 1.6789 1.9169 1.9449 2.0902 2.1512 2.3324 2.4108 2.7736 2.7947 3.0307 3.0829 3.1981 3.2195 3.3294 3.3561 3.5138 3.5311 6.0196 6.0606 7.6971 7.7367 7.8744 7.8874 8.6114 8.6568 8.8969 8.9299 k = 0.0802 0.5438 0.3861 ( 9754 PWs) bands (ev): -11.6249 -11.6245 -11.6207 -11.6205 -11.2154 -11.2147 -11.1409 -11.1408 -11.1370 -11.1367 -9.1124 -9.1123 -8.6570 -8.6562 -8.4705 -8.4674 -8.3963 -8.3934 -2.5717 -2.5651 -0.4268 -0.4006 -0.1558 -0.1084 0.3272 0.4236 0.5746 0.6609 0.8609 0.9120 0.9879 1.0694 1.3366 1.4214 1.6340 1.6731 1.9210 1.9443 2.0949 2.1465 2.3345 2.3992 2.7771 2.7943 3.0473 3.0914 3.1952 3.2133 3.3265 3.3497 3.5115 3.5278 6.0350 6.0684 7.7099 7.7419 7.9050 7.9153 8.6184 8.6548 8.9258 8.9534 k = 0.0602 0.5379 0.3935 ( 9754 PWs) bands (ev): -11.6248 -11.6245 -11.6206 -11.6205 -11.2153 -11.2148 -11.1409 -11.1408 -11.1370 -11.1367 -9.1149 -9.1148 -8.6586 -8.6580 -8.4610 -8.4582 -8.4003 -8.3976 -2.5724 -2.5674 -0.4231 -0.4031 -0.1566 -0.1211 0.3435 0.4184 0.5785 0.6475 0.8666 0.9031 0.9963 1.0596 1.3490 1.4165 1.6355 1.6670 1.9251 1.9432 2.1005 2.1410 2.3381 2.3879 2.7804 2.7935 3.0636 3.0988 3.1918 3.2065 3.3249 3.3436 3.5101 3.5239 6.0485 6.0740 7.7210 7.7452 7.9313 7.9394 8.6239 8.6513 8.9528 8.9742 k = 0.0401 0.5320 0.4008 ( 9750 PWs) bands (ev): -11.6248 -11.6246 -11.6206 -11.6205 -11.2152 -11.2148 -11.1408 -11.1408 -11.1369 -11.1368 -9.1167 -9.1166 -8.6598 -8.6593 -8.4529 -8.4505 -8.4042 -8.4019 -2.5727 -2.5693 -0.4194 -0.4059 -0.1557 -0.1320 0.3591 0.4105 0.5853 0.6335 0.8719 0.8952 1.0060 1.0491 1.3622 1.4091 1.6385 1.6607 1.9291 1.9415 2.1068 2.1347 2.3432 2.3770 2.7834 2.7922 3.0787 3.1037 3.1889 3.1996 3.3249 3.3379 3.5098 3.5198 6.0598 6.0769 7.7302 7.7464 7.9518 7.9576 8.6288 8.6470 8.9755 8.9901 k = 0.0201 0.5261 0.4082 ( 9744 PWs) bands (ev): -11.6247 -11.6246 -11.6206 -11.6206 -11.2151 -11.2149 -11.1408 -11.1408 -11.1369 -11.1368 -9.1178 -9.1177 -8.6604 -8.6602 -8.4468 -8.4454 -8.4070 -8.4057 -2.5725 -2.5708 -0.4157 -0.4090 -0.1527 -0.1409 0.3740 0.4001 0.5949 0.6197 0.8771 0.8885 1.0164 1.0383 1.3755 1.3995 1.6429 1.6544 1.9328 1.9391 2.1136 2.1278 2.3497 2.3668 2.7861 2.7905 3.0915 3.1047 3.1876 3.1935 3.3263 3.3330 3.5108 3.5160 6.0684 6.0770 7.7374 7.7456 7.9655 7.9685 8.6333 8.6424 8.9918 8.9991 k = 0.0000 0.5202 0.4156 ( 9750 PWs) bands (ev): -11.6247 -11.6247 -11.6206 -11.6206 -11.2150 -11.2150 -11.1408 -11.1408 -11.1368 -11.1368 -9.1181 -9.1181 -8.6605 -8.6605 -8.4440 -8.4440 -8.4077 -8.4077 -2.5719 -2.5719 -0.4122 -0.4122 -0.1478 -0.1478 0.3878 0.3878 0.6066 0.6066 0.8825 0.8825 1.0273 1.0273 1.3881 1.3881 1.6483 1.6483 1.9362 1.9362 2.1207 2.1207 2.3577 2.3577 2.7885 2.7885 3.1006 3.1006 3.1892 3.1892 3.3290 3.3290 3.5129 3.5129 6.0742 6.0742 7.7426 7.7426 7.9712 7.9712 8.6378 8.6378 8.9999 8.9999 k = 0.0000 0.5202 0.4156 ( 9750 PWs) bands (ev): -11.6247 -11.6247 -11.6206 -11.6206 -11.2150 -11.2150 -11.1408 -11.1408 -11.1368 -11.1368 -9.1181 -9.1181 -8.6605 -8.6605 -8.4440 -8.4440 -8.4077 -8.4077 -2.5719 -2.5719 -0.4122 -0.4122 -0.1478 -0.1478 0.3878 0.3878 0.6066 0.6066 0.8825 0.8825 1.0273 1.0273 1.3881 1.3881 1.6483 1.6483 1.9362 1.9362 2.1207 2.1207 2.3577 2.3577 2.7885 2.7885 3.1006 3.1006 3.1892 3.1892 3.3290 3.3290 3.5129 3.5129 6.0742 6.0742 7.7426 7.7426 7.9712 7.9712 8.6378 8.6378 8.9999 8.9999 k = 0.0096 0.5075 0.4315 ( 9740 PWs) bands (ev): -11.6246 -11.6246 -11.6206 -11.6206 -11.2151 -11.2150 -11.1408 -11.1408 -11.1368 -11.1368 -9.1178 -9.1178 -8.6603 -8.6603 -8.4444 -8.4443 -8.4079 -8.4078 -2.5729 -2.5718 -0.4220 -0.4058 -0.1618 -0.1349 0.3705 0.4041 0.5922 0.6211 0.8725 0.8905 1.0072 1.0554 1.3880 1.3887 1.6422 1.6554 1.9287 1.9438 2.1121 2.1300 2.3506 2.3655 2.7856 2.7913 3.0983 3.1032 3.1892 3.1914 3.3290 3.3303 3.5112 3.5146 6.0689 6.0746 7.7343 7.7471 7.9689 7.9764 8.6344 8.6368 8.9943 8.9992 k = 0.0192 0.4947 0.4475 ( 9750 PWs) bands (ev): -11.6247 -11.6246 -11.6206 -11.6206 -11.2151 -11.2150 -11.1408 -11.1408 -11.1369 -11.1368 -9.1169 -9.1168 -8.6597 -8.6596 -8.4455 -8.4453 -8.4085 -8.4084 -2.5747 -2.5725 -0.4347 -0.4030 -0.1761 -0.1238 0.3521 0.4186 0.5791 0.6341 0.8616 0.8951 0.9989 1.0882 1.3885 1.3898 1.6372 1.6631 1.9217 1.9514 2.1044 2.1396 2.3443 2.3739 2.7827 2.7939 3.0965 3.1059 3.1917 3.1959 3.3302 3.3327 3.5093 3.5161 6.0587 6.0702 7.7229 7.7474 7.9701 7.9842 8.6265 8.6313 8.9833 8.9923 k = 0.0288 0.4819 0.4635 ( 9744 PWs) bands (ev): -11.6247 -11.6246 -11.6206 -11.6206 -11.2151 -11.2150 -11.1409 -11.1407 -11.1369 -11.1368 -9.1152 -9.1151 -8.6586 -8.6584 -8.4473 -8.4470 -8.4095 -8.4093 -2.5772 -2.5740 -0.4498 -0.4044 -0.1899 -0.1148 0.3325 0.4305 0.5687 0.6445 0.8516 0.8977 1.0028 1.1233 1.3897 1.3913 1.6333 1.6714 1.9153 1.9588 2.0977 2.1495 2.3389 2.3826 2.7800 2.7964 3.0953 3.1086 3.1965 3.2025 3.3327 3.3363 3.5074 3.5176 6.0441 6.0610 7.7089 7.7432 7.9749 7.9940 8.6144 8.6213 8.9680 8.9799 k = 0.0385 0.4692 0.4795 ( 9744 PWs) bands (ev): -11.6247 -11.6246 -11.6207 -11.6206 -11.2152 -11.2150 -11.1409 -11.1407 -11.1369 -11.1368 -9.1130 -9.1128 -8.6571 -8.6569 -8.4497 -8.4493 -8.4109 -8.4105 -2.5806 -2.5764 -0.4671 -0.4103 -0.2025 -0.1083 0.3115 0.4380 0.5622 0.6514 0.8445 0.9019 1.0154 1.1588 1.3916 1.3933 1.6308 1.6800 1.9098 1.9657 2.0923 2.1593 2.3344 2.3913 2.7777 2.7990 3.0946 3.1112 3.2035 3.2112 3.3365 3.3409 3.5053 3.5191 6.0253 6.0475 7.6930 7.7347 7.9832 8.0054 8.5983 8.6072 8.9497 8.9632 k = 0.0481 0.4564 0.4955 ( 9746 PWs) bands (ev): -11.6247 -11.6247 -11.6207 -11.6206 -11.2152 -11.2150 -11.1409 -11.1407 -11.1369 -11.1368 -9.1101 -9.1099 -8.6552 -8.6549 -8.4528 -8.4523 -8.4126 -8.4122 -2.5845 -2.5794 -0.4862 -0.4205 -0.2136 -0.1045 0.2885 0.4398 0.5599 0.6557 0.8425 0.9102 1.0330 1.1937 1.3939 1.3961 1.6299 1.6888 1.9052 1.9720 2.0884 2.1689 2.3307 2.3997 2.7760 2.8018 3.0944 3.1136 3.2125 3.2216 3.3413 3.3464 3.5032 3.5205 6.0028 6.0300 7.6754 7.7224 7.9946 8.0182 8.5785 8.5891 8.9295 8.9436 k = 0.0577 0.4436 0.5115 ( 9742 PWs) bands (ev): -11.6247 -11.6247 -11.6207 -11.6206 -11.2153 -11.2150 -11.1409 -11.1407 -11.1369 -11.1368 -9.1066 -9.1064 -8.6528 -8.6524 -8.4566 -8.4560 -8.4147 -8.4142 -2.5891 -2.5832 -0.5067 -0.4349 -0.2231 -0.1031 0.2635 0.4350 0.5607 0.6604 0.8462 0.9232 1.0533 1.2267 1.3965 1.4004 1.6305 1.6975 1.9018 1.9775 2.0864 2.1780 2.3281 2.4074 2.7752 2.8050 3.0947 3.1159 3.2231 3.2337 3.3470 3.3529 3.5011 3.5220 5.9772 6.0091 7.6566 7.7071 8.0083 8.0321 8.5555 8.5677 8.9086 8.9222 k = 0.0673 0.4309 0.5274 ( 9732 PWs) bands (ev): -11.6247 -11.6247 -11.6207 -11.6206 -11.2153 -11.2151 -11.1409 -11.1406 -11.1370 -11.1367 -9.1025 -9.1023 -8.6500 -8.6496 -8.4609 -8.4602 -8.4172 -8.4166 -2.5942 -2.5876 -0.5284 -0.4526 -0.2311 -0.1042 0.2365 0.4235 0.5635 0.6685 0.8549 0.9405 1.0749 1.2570 1.3992 1.4064 1.6330 1.7060 1.8997 1.9821 2.0863 2.1862 2.3263 2.4140 2.7757 2.8090 3.0952 3.1182 3.2349 3.2473 3.3534 3.3603 3.4989 3.5236 5.9491 5.9854 7.6368 7.6893 8.0238 8.0467 8.5300 8.5434 8.8876 8.9005 k = 0.0769 0.4181 0.5434 ( 9740 PWs) bands (ev): -11.6248 -11.6247 -11.6208 -11.6206 -11.2154 -11.2151 -11.1409 -11.1406 -11.1370 -11.1368 -9.0980 -9.0977 -8.6469 -8.6464 -8.4657 -8.4649 -8.4200 -8.4193 -2.5997 -2.5925 -0.5509 -0.4730 -0.2380 -0.1075 0.2079 0.4058 0.5683 0.6814 0.8674 0.9613 1.0969 1.2836 1.4020 1.4147 1.6374 1.7142 1.8988 1.9862 2.0880 2.1932 2.3256 2.4191 2.7777 2.8140 3.0960 3.1205 3.2476 3.2620 3.3600 3.3687 3.4968 3.5253 5.9192 5.9593 7.6164 7.6697 8.0402 8.0616 8.5026 8.5173 8.8675 8.8793 k = 0.0865 0.4053 0.5594 ( 9734 PWs) bands (ev): -11.6248 -11.6247 -11.6208 -11.6206 -11.2154 -11.2151 -11.1409 -11.1406 -11.1370 -11.1368 -9.0929 -9.0926 -8.6434 -8.6428 -8.4711 -8.4702 -8.4231 -8.4224 -2.6056 -2.5978 -0.5738 -0.4952 -0.2443 -0.1126 0.1779 0.3829 0.5754 0.6987 0.8829 0.9845 1.1188 1.3058 1.4050 1.4251 1.6437 1.7219 1.8993 1.9899 2.0915 2.1985 2.3261 2.4222 2.7814 2.8202 3.0969 3.1228 3.2607 3.2776 3.3665 3.3779 3.4948 3.5273 5.8880 5.9316 7.5955 7.6489 8.0566 8.0760 8.4744 8.4904 8.8486 8.8597 k = 0.0962 0.3926 0.5754 ( 9722 PWs) bands (ev): -11.6248 -11.6247 -11.6208 -11.6206 -11.2155 -11.2151 -11.1409 -11.1406 -11.1370 -11.1367 -9.0874 -9.0871 -8.6396 -8.6389 -8.4769 -8.4758 -8.4266 -8.4258 -2.6116 -2.6035 -0.5970 -0.5185 -0.2501 -0.1191 0.1471 0.3563 0.5853 0.7192 0.9010 1.0090 1.1401 1.3237 1.4083 1.4376 1.6519 1.7293 1.9009 1.9938 2.0965 2.2019 2.3277 2.4232 2.7870 2.8276 3.0980 3.1251 3.2740 3.2939 3.3727 3.3879 3.4930 3.5296 5.8563 5.9029 7.5744 7.6273 8.0719 8.0890 8.4468 8.4643 8.8314 8.8424 k = 0.1058 0.3798 0.5914 ( 9724 PWs) bands (ev): -11.6248 -11.6247 -11.6208 -11.6206 -11.2155 -11.2152 -11.1410 -11.1406 -11.1370 -11.1368 -9.0815 -9.0812 -8.6355 -8.6347 -8.4830 -8.4818 -8.4304 -8.4295 -2.6178 -2.6094 -0.6200 -0.5423 -0.2557 -0.1268 0.1159 0.3274 0.5975 0.7419 0.9210 1.0340 1.1605 1.3377 1.4118 1.4514 1.6617 1.7365 1.9034 1.9981 2.1026 2.2033 2.3304 2.4217 2.7945 2.8365 3.0993 3.1274 3.2870 3.3104 3.3783 3.3984 3.4916 3.5323 5.8247 5.8736 7.5533 7.6053 8.0844 8.0992 8.4217 8.4412 8.8163 8.8281 k = 0.1154 0.3670 0.6074 ( 9730 PWs) bands (ev): -11.6248 -11.6247 -11.6209 -11.6206 -11.2156 -11.2152 -11.1410 -11.1406 -11.1371 -11.1368 -9.0753 -9.0750 -8.6311 -8.6303 -8.4894 -8.4881 -8.4345 -8.4335 -2.6240 -2.6155 -0.6427 -0.5661 -0.2612 -0.1354 0.0847 0.2974 0.6116 0.7660 0.9427 1.0587 1.1795 1.3489 1.4156 1.4655 1.6726 1.7438 1.9066 2.0033 2.1095 2.2027 2.3340 2.4178 2.8039 2.8466 3.1007 3.1298 3.2995 3.3268 3.3832 3.4091 3.4908 3.5352 5.7936 5.8444 7.5326 7.5833 8.0919 8.1048 8.4013 8.4233 8.8038 8.8170 k = 0.1250 0.3543 0.6233 ( 9722 PWs) bands (ev): -11.6249 -11.6247 -11.6209 -11.6206 -11.2156 -11.2153 -11.1409 -11.1406 -11.1371 -11.1368 -9.0689 -9.0685 -8.6266 -8.6256 -8.4960 -8.4946 -8.4388 -8.4378 -2.6301 -2.6216 -0.6648 -0.5896 -0.2664 -0.1445 0.0539 0.2671 0.6270 0.7910 0.9654 1.0826 1.1968 1.3583 1.4196 1.4792 1.6839 1.7517 1.9102 2.0095 2.1170 2.2004 2.3382 2.4116 2.8149 2.8578 3.1023 3.1322 3.3112 3.3429 3.3872 3.4198 3.4906 3.5385 5.7636 5.8156 7.5123 7.5616 8.0920 8.1043 8.3883 8.4130 8.7942 8.8093 k = 0.1346 0.3415 0.6393 ( 9726 PWs) bands (ev): -11.6249 -11.6248 -11.6209 -11.6207 -11.2157 -11.2153 -11.1410 -11.1406 -11.1371 -11.1368 -9.0623 -9.0619 -8.6219 -8.6207 -8.5026 -8.5011 -8.4434 -8.4424 -2.6361 -2.6277 -0.6860 -0.6123 -0.2714 -0.1539 0.0237 0.2373 0.6431 0.8165 0.9888 1.1053 1.2122 1.3666 1.4240 1.4922 1.6946 1.7607 1.9142 2.0168 2.1245 2.1972 2.3426 2.4032 2.8271 2.8699 3.1042 3.1346 3.3219 3.3583 3.3904 3.4304 3.4911 3.5420 5.7352 5.7877 7.4927 7.5405 8.0834 8.0963 8.3847 8.4116 8.7877 8.8052 k = 0.1442 0.3287 0.6553 ( 9728 PWs) bands (ev): -11.6249 -11.6248 -11.6210 -11.6207 -11.2158 -11.2154 -11.1410 -11.1406 -11.1371 -11.1368 -9.0556 -9.0552 -8.6171 -8.6157 -8.5092 -8.5075 -8.4483 -8.4472 -2.6418 -2.6337 -0.7063 -0.6340 -0.2759 -0.1633 -0.0055 0.2085 0.6595 0.8421 1.0124 1.1265 1.2255 1.3743 1.4285 1.5043 1.7039 1.7711 1.9186 2.0247 2.1315 2.1939 2.3468 2.3930 2.8401 2.8825 3.1064 3.1372 3.3316 3.3724 3.3932 3.4405 3.4924 3.5455 5.7087 5.7611 7.4740 7.5201 8.0671 8.0807 8.3906 8.4188 8.7846 8.8047 k = 0.1538 0.3160 0.6713 ( 9728 PWs) bands (ev): -11.6249 -11.6248 -11.6210 -11.6207 -11.2158 -11.2154 -11.1409 -11.1406 -11.1371 -11.1368 -9.0490 -9.0486 -8.6123 -8.6107 -8.5157 -8.5137 -8.4533 -8.4522 -2.6472 -2.6395 -0.7253 -0.6544 -0.2800 -0.1727 -0.0334 0.1810 0.6756 0.8677 1.0357 1.1458 1.2367 1.3816 1.4330 1.5157 1.7114 1.7828 1.9235 2.0328 2.1372 2.1922 2.3503 2.3812 2.8535 2.8952 3.1089 3.1400 3.3400 3.3837 3.3968 3.4503 3.4944 3.5489 5.6845 5.7359 7.4565 7.5007 8.0450 8.0591 8.4045 8.4328 8.7849 8.8076 k = 0.1635 0.3032 0.6873 ( 9726 PWs) bands (ev): -11.6250 -11.6249 -11.6210 -11.6207 -11.2159 -11.2155 -11.1409 -11.1406 -11.1371 -11.1368 -9.0424 -9.0420 -8.6076 -8.6057 -8.5217 -8.5195 -8.4585 -8.4573 -2.6523 -2.6450 -0.7430 -0.6734 -0.2833 -0.1818 -0.0598 0.1551 0.6911 0.8928 1.0581 1.1630 1.2461 1.3886 1.4374 1.5268 1.7171 1.7952 1.9290 2.0404 2.1406 2.1937 2.3523 2.3687 2.8667 2.9076 3.1117 3.1430 3.3473 3.3895 3.4042 3.4595 3.4969 3.5520 5.6628 5.7125 7.4401 7.4826 8.0197 8.0337 8.4238 8.4515 8.7885 8.8138 k = 0.1731 0.2904 0.7033 ( 9732 PWs) bands (ev): -11.6250 -11.6249 -11.6211 -11.6208 -11.2160 -11.2155 -11.1409 -11.1406 -11.1371 -11.1368 -9.0361 -9.0357 -8.6032 -8.6010 -8.5272 -8.5247 -8.4639 -8.4626 -2.6569 -2.6501 -0.7591 -0.6909 -0.2857 -0.1907 -0.0845 0.1312 0.7056 0.9173 1.0794 1.1777 1.2540 1.3951 1.4415 1.5376 1.7213 1.8072 1.9353 2.0468 2.1417 2.1994 2.3486 2.3596 2.8795 2.9191 3.1148 3.1463 3.3536 3.3912 3.4140 3.4682 3.4995 3.5545 5.6437 5.6909 7.4252 7.4659 7.9931 8.0067 8.4464 8.4730 8.7951 8.8232 k = 0.1827 0.2777 0.7192 ( 9726 PWs) bands (ev): -11.6250 -11.6249 -11.6211 -11.6208 -11.2160 -11.2156 -11.1409 -11.1406 -11.1371 -11.1369 -9.0302 -9.0298 -8.5993 -8.5966 -8.5320 -8.5291 -8.4693 -8.4680 -2.6610 -2.6548 -0.7736 -0.7066 -0.2872 -0.1992 -0.1071 0.1095 0.7189 0.9407 1.0991 1.1896 1.2610 1.4011 1.4451 1.5482 1.7243 1.8181 1.9425 2.0509 2.1423 2.2086 2.3356 2.3576 2.8913 2.9294 3.1181 3.1500 3.3589 3.3918 3.4234 3.4763 3.5023 3.5562 5.6274 5.6713 7.4119 7.4508 7.9668 7.9798 8.4703 8.4956 8.8044 8.8351 k = 0.1923 0.2649 0.7352 ( 9734 PWs) bands (ev): -11.6250 -11.6249 -11.6211 -11.6208 -11.2161 -11.2156 -11.1409 -11.1407 -11.1371 -11.1369 -9.0247 -9.0243 -8.5960 -8.5928 -8.5356 -8.5324 -8.4747 -8.4734 -2.6646 -2.6591 -0.7864 -0.7204 -0.2875 -0.2076 -0.1272 0.0902 0.7307 0.9626 1.1170 1.1982 1.2676 1.4064 1.4481 1.5587 1.7265 1.8274 1.9504 2.0521 2.1443 2.2201 2.3202 2.3559 2.9020 2.9380 3.1216 3.1539 3.3634 3.3921 3.4316 3.4834 3.5052 3.5571 5.6138 5.6539 7.4003 7.4374 7.9419 7.9542 8.4938 8.5177 8.8158 8.8491 k = 0.2019 0.2521 0.7512 ( 9738 PWs) bands (ev): -11.6250 -11.6249 -11.6211 -11.6208 -11.2161 -11.2157 -11.1409 -11.1407 -11.1371 -11.1369 -9.0198 -9.0194 -8.5934 -8.5898 -8.5381 -8.5345 -8.4799 -8.4787 -2.6676 -2.6629 -0.7974 -0.7323 -0.2865 -0.2161 -0.1446 0.0735 0.7409 0.9825 1.1329 1.2033 1.2743 1.4107 1.4507 1.5686 1.7279 1.8348 1.9589 2.0501 2.1491 2.2327 2.3043 2.3529 2.9115 2.9447 3.1251 3.1578 3.3673 3.3924 3.4385 3.4892 3.5086 3.5570 5.6030 5.6386 7.3904 7.4258 7.9195 7.9310 8.5155 8.5384 8.8284 8.8641 k = 0.2115 0.2394 0.7672 ( 9736 PWs) bands (ev): -11.6250 -11.6249 -11.6211 -11.6208 -11.2161 -11.2157 -11.1409 -11.1407 -11.1371 -11.1369 -9.0156 -9.0152 -8.5917 -8.5878 -8.5391 -8.5353 -8.4849 -8.4837 -2.6700 -2.6661 -0.8065 -0.7421 -0.2842 -0.2248 -0.1589 0.0596 0.7494 1.0001 1.1468 1.2052 1.2808 1.4140 1.4528 1.5778 1.7288 1.8404 1.9676 2.0455 2.1570 2.2447 2.2894 2.3483 2.9197 2.9495 3.1284 3.1616 3.3708 3.3928 3.4441 3.4929 3.5131 3.5558 5.5949 5.6255 7.3824 7.4162 7.9003 7.9109 8.5344 8.5565 8.8410 8.8789 k = 0.2212 0.2266 0.7832 ( 9732 PWs) bands (ev): -11.6250 -11.6249 -11.6211 -11.6209 -11.2161 -11.2157 -11.1409 -11.1407 -11.1371 -11.1369 -9.0122 -9.0119 -8.5907 -8.5866 -8.5390 -8.5350 -8.4894 -8.4883 -2.6718 -2.6688 -0.8136 -0.7498 -0.2805 -0.2339 -0.1697 0.0485 0.7560 1.0145 1.1589 1.2044 1.2867 1.4161 1.4546 1.5858 1.7292 1.8444 1.9760 2.0394 2.1676 2.2510 2.2803 2.3421 2.9264 2.9525 3.1314 3.1649 3.3737 3.3931 3.4484 3.4949 3.5184 3.5538 5.5893 5.6148 7.3761 7.4086 7.8849 7.8947 8.5497 8.5714 8.8525 8.8921 k = 0.2308 0.2138 0.7992 ( 9724 PWs) bands (ev): -11.6250 -11.6249 -11.6211 -11.6209 -11.2161 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0097 -9.0094 -8.5903 -8.5861 -8.5382 -8.5341 -8.4930 -8.4922 -2.6730 -2.6708 -0.8187 -0.7553 -0.2755 -0.2431 -0.1771 0.0406 0.7608 1.0254 1.1691 1.2014 1.2915 1.4174 1.4560 1.5919 1.7294 1.8470 1.9836 2.0328 2.1802 2.2433 2.2846 2.3345 2.9317 2.9539 3.1337 3.1675 3.3761 3.3933 3.4515 3.4956 3.5239 3.5511 5.5859 5.6066 7.3717 7.4032 7.8736 7.8826 8.5609 8.5824 8.8615 8.9024 k = 0.2404 0.2010 0.8151 ( 9732 PWs) bands (ev): -11.6250 -11.6250 -11.6212 -11.6209 -11.2162 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0082 -9.0079 -8.5902 -8.5859 -8.5372 -8.5332 -8.4954 -8.4949 -2.6736 -2.6722 -0.8218 -0.7587 -0.2692 -0.2522 -0.1814 0.0357 0.7637 1.0322 1.1772 1.1974 1.2946 1.4180 1.4569 1.5959 1.7294 1.8485 1.9896 2.0273 2.1938 2.2296 2.2940 2.3266 2.9351 2.9543 3.1352 3.1692 3.3777 3.3933 3.4533 3.4958 3.5286 3.5482 5.5843 5.6012 7.3691 7.3999 7.8667 7.8753 8.5677 8.5891 8.8672 8.9088 k = 0.2500 0.1883 0.8311 ( 9736 PWs) bands (ev): -11.6251 -11.6250 -11.6212 -11.6209 -11.2162 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0077 -9.0074 -8.5902 -8.5859 -8.5368 -8.5328 -8.4962 -8.4959 -2.6738 -2.6727 -0.8228 -0.7598 -0.2636 -0.2587 -0.1828 0.0341 0.7647 1.0345 1.1811 1.1949 1.2957 1.4182 1.4572 1.5972 1.7294 1.8489 1.9920 2.0250 2.2029 2.2200 2.2993 2.3221 2.9363 2.9544 3.1357 3.1698 3.3783 3.3933 3.4540 3.4958 3.5306 3.5468 5.5839 5.5993 7.3682 7.3988 7.8644 7.8728 8.5699 8.5914 8.8691 8.9110 k = 0.2500 0.1883 0.8311 ( 9736 PWs) bands (ev): -11.6251 -11.6250 -11.6212 -11.6209 -11.2162 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0077 -9.0074 -8.5902 -8.5859 -8.5368 -8.5328 -8.4962 -8.4959 -2.6738 -2.6727 -0.8228 -0.7598 -0.2636 -0.2587 -0.1828 0.0341 0.7647 1.0345 1.1811 1.1949 1.2957 1.4182 1.4572 1.5972 1.7294 1.8489 1.9920 2.0250 2.2029 2.2200 2.2993 2.3221 2.9363 2.9544 3.1357 3.1698 3.3783 3.3933 3.4540 3.4958 3.5306 3.5468 5.5839 5.5993 7.3682 7.3988 7.8644 7.8728 8.5699 8.5914 8.8691 8.9110 k = 0.2639 0.1987 0.8180 ( 9731 PWs) bands (ev): -11.6250 -11.6250 -11.6211 -11.6209 -11.2162 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0079 -9.0075 -8.5902 -8.5859 -8.5369 -8.5330 -8.4960 -8.4956 -2.6737 -2.6725 -0.8231 -0.7605 -0.2650 -0.2547 -0.1810 0.0361 0.7627 1.0309 1.1779 1.1948 1.2971 1.4178 1.4585 1.5968 1.7295 1.8485 1.9901 2.0241 2.1972 2.2224 2.3019 2.3271 2.9354 2.9538 3.1357 3.1692 3.3784 3.3944 3.4532 3.4950 3.5309 3.5487 5.5833 5.5992 7.3667 7.3972 7.8659 7.8743 8.5686 8.5897 8.8702 8.9110 k = 0.2778 0.2092 0.8049 ( 9728 PWs) bands (ev): -11.6250 -11.6250 -11.6211 -11.6209 -11.2162 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0083 -9.0079 -8.5902 -8.5860 -8.5373 -8.5333 -8.4953 -8.4948 -2.6736 -2.6721 -0.8238 -0.7628 -0.2649 -0.2469 -0.1757 0.0420 0.7567 1.0205 1.1696 1.1936 1.3013 1.4166 1.4619 1.5953 1.7300 1.8472 1.9848 2.0209 2.1870 2.2235 2.3102 2.3401 2.9327 2.9520 3.1356 3.1677 3.3787 3.3976 3.4509 3.4924 3.5326 3.5537 5.5818 5.5986 7.3625 7.3926 7.8703 7.8788 8.5648 8.5846 8.8727 8.9108 k = 0.2917 0.2197 0.7918 ( 9720 PWs) bands (ev): -11.6250 -11.6249 -11.6211 -11.6208 -11.2161 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0089 -9.0085 -8.5902 -8.5861 -8.5377 -8.5338 -8.4943 -8.4936 -2.6732 -2.6715 -0.8249 -0.7662 -0.2622 -0.2371 -0.1668 0.0516 0.7468 1.0047 1.1568 1.1911 1.3071 1.4151 1.4667 1.5932 1.7307 1.8452 1.9772 2.0154 2.1770 2.2214 2.3238 2.3577 2.9284 2.9491 3.1353 3.1653 3.3791 3.4026 3.4471 3.4886 3.5363 3.5607 5.5795 5.5974 7.3559 7.3853 7.8779 7.8866 8.5585 8.5769 8.8754 8.9100 k = 0.3056 0.2301 0.7787 ( 9723 PWs) bands (ev): -11.6250 -11.6249 -11.6211 -11.6209 -11.2161 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0096 -9.0092 -8.5903 -8.5862 -8.5383 -8.5344 -8.4931 -8.4924 -2.6726 -2.6707 -0.8261 -0.7704 -0.2569 -0.2259 -0.1542 0.0646 0.7332 0.9846 1.1406 1.1874 1.3134 1.4137 1.4721 1.5905 1.7319 1.8425 1.9680 2.0076 2.1685 2.2172 2.3404 2.3778 2.9228 2.9454 3.1347 3.1623 3.3793 3.4084 3.4423 3.4840 3.5420 3.5689 5.5769 5.5957 7.3474 7.3758 7.8884 7.8975 8.5500 8.5671 8.8770 8.9082 k = 0.3194 0.2406 0.7656 ( 9731 PWs) bands (ev): -11.6251 -11.6249 -11.6211 -11.6209 -11.2161 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0103 -9.0100 -8.5903 -8.5864 -8.5388 -8.5350 -8.4920 -8.4913 -2.6716 -2.6695 -0.8271 -0.7750 -0.2495 -0.2141 -0.1379 0.0808 0.7160 0.9609 1.1222 1.1826 1.3191 1.4126 1.4771 1.5877 1.7333 1.8392 1.9581 1.9984 2.1617 2.2121 2.3578 2.3988 2.9164 2.9410 3.1335 3.1594 3.3789 3.4135 3.4377 3.4793 3.5492 3.5779 5.5744 5.5935 7.3377 7.3649 7.9018 7.9114 8.5395 8.5560 8.8762 8.9048 k = 0.3333 0.2510 0.7526 ( 9725 PWs) bands (ev): -11.6251 -11.6249 -11.6211 -11.6208 -11.2161 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0110 -9.0107 -8.5903 -8.5865 -8.5393 -8.5356 -8.4911 -8.4903 -2.6701 -2.6679 -0.8279 -0.7795 -0.2403 -0.2022 -0.1178 0.0997 0.6955 0.9345 1.1025 1.1769 1.3238 1.4119 1.4812 1.5852 1.7349 1.8355 1.9479 1.9884 2.1562 2.2067 2.3749 2.4198 2.9095 2.9363 3.1314 3.1568 3.3776 3.4145 3.4362 3.4752 3.5575 3.5870 5.5723 5.5913 7.3277 7.3534 7.9178 7.9281 8.5274 8.5444 8.8718 8.8988 k = 0.3472 0.2615 0.7395 ( 9730 PWs) bands (ev): -11.6251 -11.6249 -11.6211 -11.6208 -11.2161 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0116 -9.0113 -8.5903 -8.5867 -8.5396 -8.5360 -8.4906 -8.4895 -2.6682 -2.6660 -0.8281 -0.7837 -0.2297 -0.1904 -0.0943 0.1209 0.6722 0.9060 1.0826 1.1704 1.3270 1.4120 1.4837 1.5835 1.7366 1.8316 1.9377 1.9783 2.1517 2.2011 2.3907 2.4399 2.9023 2.9316 3.1283 3.1549 3.3751 3.4096 3.4393 3.4717 3.5664 3.5958 5.5712 5.5892 7.3180 7.3422 7.9361 7.9474 8.5141 8.5326 8.8629 8.8893 k = 0.3611 0.2720 0.7264 ( 9733 PWs) bands (ev): -11.6251 -11.6249 -11.6211 -11.6208 -11.2161 -11.2157 -11.1409 -11.1408 -11.1372 -11.1369 -9.0122 -9.0119 -8.5903 -8.5869 -8.5399 -8.5363 -8.4903 -8.4891 -2.6659 -2.6637 -0.8275 -0.7871 -0.2182 -0.1789 -0.0680 0.1440 0.6466 0.8759 1.0628 1.1635 1.3284 1.4128 1.4842 1.5830 1.7383 1.8276 1.9277 1.9687 2.1479 2.1954 2.4046 2.4585 2.8952 2.9271 3.1243 3.1537 3.3710 3.4015 3.4440 3.4691 3.5752 3.6037 5.5714 5.5879 7.3092 7.3320 7.9567 7.9689 8.5001 8.5208 8.8490 8.8755 k = 0.3750 0.2824 0.7133 ( 9734 PWs) bands (ev): -11.6251 -11.6249 -11.6211 -11.6208 -11.2161 -11.2157 -11.1409 -11.1408 -11.1372 -11.1368 -9.0126 -9.0123 -8.5904 -8.5871 -8.5399 -8.5365 -8.4905 -8.4890 -2.6631 -2.6610 -0.8259 -0.7895 -0.2060 -0.1677 -0.0395 0.1684 0.6192 0.8448 1.0437 1.1566 1.3281 1.4143 1.4826 1.5838 1.7399 1.8238 1.9179 1.9599 2.1444 2.1895 2.4163 2.4749 2.8884 2.9231 3.1196 3.1533 3.3655 3.3921 3.4485 3.4674 3.5835 3.6104 5.5732 5.5877 7.3019 7.3236 7.9791 7.9924 8.4858 8.5093 8.8301 8.8572 k = 0.3889 0.2929 0.7002 ( 9736 PWs) bands (ev): -11.6252 -11.6248 -11.6211 -11.6208 -11.2161 -11.2156 -11.1409 -11.1408 -11.1372 -11.1368 -9.0129 -9.0126 -8.5906 -8.5874 -8.5399 -8.5365 -8.4910 -8.4891 -2.6598 -2.6579 -0.8233 -0.7906 -0.1935 -0.1569 -0.0094 0.1932 0.5908 0.8134 1.0256 1.1502 1.3262 1.4163 1.4789 1.5857 1.7412 1.8205 1.9084 1.9520 2.1412 2.1835 2.4255 2.4889 2.8819 2.9196 3.1145 3.1533 3.3586 3.3821 3.4517 3.4664 3.5907 3.6152 5.5770 5.5891 7.2966 7.3175 8.0031 8.0175 8.4715 8.4980 8.8064 8.8344 k = 0.4028 0.3033 0.6871 ( 9732 PWs) bands (ev): -11.6252 -11.6248 -11.6211 -11.6208 -11.2161 -11.2156 -11.1409 -11.1408 -11.1372 -11.1368 -9.0130 -9.0128 -8.5909 -8.5878 -8.5396 -8.5364 -8.4918 -8.4896 -2.6560 -2.6543 -0.8194 -0.7902 -0.1810 -0.1465 0.0217 0.2175 0.5623 0.7823 1.0087 1.1446 1.3227 1.4186 1.4737 1.5886 1.7420 1.8179 1.8991 1.9451 2.1381 2.1775 2.4322 2.5002 2.8758 2.9168 3.1094 3.1536 3.3508 3.3719 3.4534 3.4663 3.5963 3.6181 5.5827 5.5926 7.2935 7.3142 8.0283 8.0439 8.4573 8.4868 8.7783 8.8074 k = 0.4167 0.3138 0.6740 ( 9734 PWs) bands (ev): -11.6252 -11.6248 -11.6211 -11.6208 -11.2161 -11.2155 -11.1409 -11.1408 -11.1372 -11.1368 -9.0130 -9.0128 -8.5914 -8.5883 -8.5392 -8.5361 -8.4929 -8.4903 -2.6518 -2.6504 -0.8142 -0.7882 -0.1687 -0.1367 0.0533 0.2400 0.5349 0.7522 0.9932 1.1401 1.3179 1.4207 1.4672 1.5921 1.7422 1.8163 1.8902 1.9390 2.1351 2.1714 2.4362 2.5087 2.8700 2.9145 3.1043 3.1541 3.3422 3.3616 3.4534 3.4668 3.5998 3.6187 5.5900 5.5987 7.2929 7.3140 8.0543 8.0712 8.4432 8.4757 8.7461 8.7765 k = 0.4306 0.3243 0.6609 ( 9735 PWs) bands (ev): -11.6252 -11.6248 -11.6210 -11.6207 -11.2161 -11.2155 -11.1409 -11.1408 -11.1372 -11.1367 -9.0130 -9.0128 -8.5922 -8.5891 -8.5386 -8.5356 -8.4941 -8.4910 -2.6473 -2.6461 -0.8076 -0.7844 -0.1568 -0.1276 0.0846 0.2587 0.5102 0.7242 0.9791 1.1370 1.3119 1.4218 1.4603 1.5958 1.7419 1.8158 1.8818 1.9337 2.1323 2.1654 2.4376 2.5144 2.8645 2.9125 3.0995 3.1545 3.3332 3.3517 3.4521 3.4674 3.6011 3.6171 5.5986 5.6075 7.2949 7.3170 8.0806 8.0989 8.4293 8.4645 8.7102 8.7423 k = 0.4444 0.3347 0.6478 ( 9738 PWs) bands (ev): -11.6252 -11.6247 -11.6210 -11.6207 -11.2161 -11.2154 -11.1409 -11.1408 -11.1372 -11.1367 -9.0129 -9.0127 -8.5933 -8.5901 -8.5378 -8.5349 -8.4952 -8.4918 -2.6425 -2.6415 -0.7998 -0.7787 -0.1455 -0.1192 0.1151 0.2714 0.4902 0.6993 0.9666 1.1355 1.3050 1.4212 1.4537 1.5995 1.7410 1.8164 1.8739 1.9292 2.1295 2.1597 2.4366 2.5173 2.8593 2.9108 3.0951 3.1548 3.3238 3.3420 3.4499 3.4679 3.6001 3.6135 5.6082 5.6189 7.2995 7.3233 8.1067 8.1265 8.4153 8.4531 8.6713 8.7051 k = 0.4583 0.3452 0.6347 ( 9729 PWs) bands (ev): -11.6252 -11.6247 -11.6210 -11.6207 -11.2161 -11.2154 -11.1409 -11.1408 -11.1372 -11.1367 -9.0129 -9.0127 -8.5948 -8.5915 -8.5368 -8.5341 -8.4961 -8.4924 -2.6374 -2.6367 -0.7907 -0.7710 -0.1349 -0.1116 0.1438 0.2759 0.4764 0.6789 0.9554 1.1356 1.2971 1.4176 1.4487 1.6029 1.7397 1.8180 1.8667 1.9254 2.1269 2.1545 2.4331 2.5177 2.8541 2.9088 3.0911 3.1546 3.3144 3.3329 3.4470 3.4679 3.5971 3.6083 5.6189 5.6321 7.3068 7.3325 8.1319 8.1533 8.4011 8.4412 8.6297 8.6655 k = 0.4722 0.3556 0.6216 ( 9734 PWs) bands (ev): -11.6253 -11.6247 -11.6210 -11.6206 -11.2161 -11.2153 -11.1409 -11.1408 -11.1372 -11.1366 -9.0130 -9.0129 -8.5966 -8.5931 -8.5356 -8.5330 -8.4968 -8.4928 -2.6322 -2.6318 -0.7804 -0.7612 -0.1251 -0.1048 0.1692 0.2724 0.4690 0.6645 0.9457 1.1374 1.2883 1.4105 1.4455 1.6059 1.7381 1.8204 1.8604 1.9223 2.1245 2.1498 2.4275 2.5159 2.8490 2.9065 3.0877 3.1538 3.3052 3.3243 3.4437 3.4673 3.5923 3.6021 5.6306 5.6465 7.3165 7.3442 8.1553 8.1786 8.3865 8.4288 8.5862 8.6242 k = 0.4861 0.3661 0.6085 ( 9724 PWs) bands (ev): -11.6253 -11.6247 -11.6210 -11.6206 -11.2161 -11.2153 -11.1409 -11.1408 -11.1372 -11.1366 -9.0134 -9.0132 -8.5988 -8.5951 -8.5342 -8.5317 -8.4970 -8.4929 -2.6271 -2.6269 -0.7691 -0.7494 -0.1162 -0.0988 0.1878 0.2654 0.4657 0.6575 0.9370 1.1407 1.2787 1.4009 1.4434 1.6081 1.7365 1.8233 1.8551 1.9200 2.1221 2.1461 2.4198 2.5121 2.8439 2.9034 3.0848 3.1522 3.2962 3.3162 3.4400 3.4661 3.5863 3.5953 5.6429 5.6613 7.3282 7.3580 8.1758 8.2013 8.3715 8.4160 8.5420 8.5823 k = 0.5000 0.3766 0.5954 ( 9714 PWs) bands (ev): -11.6253 -11.6246 -11.6210 -11.6206 -11.2161 -11.2152 -11.1409 -11.1408 -11.1372 -11.1366 -9.0142 -9.0140 -8.6012 -8.5974 -8.5326 -8.5302 -8.4968 -8.4925 -2.6221 -2.6218 -0.7568 -0.7357 -0.1083 -0.0934 0.1927 0.2641 0.4640 0.6581 0.9293 1.1451 1.2682 1.3896 1.4413 1.6094 1.7347 1.8264 1.8511 1.9187 2.1198 2.1434 2.4103 2.5066 2.8387 2.8994 3.0823 3.1496 3.2875 3.3087 3.4361 3.4642 3.5799 3.5886 5.6554 5.6760 7.3411 7.3729 8.1920 8.2202 8.3555 8.4027 8.4987 8.5415 k = 0.5000 0.3766 0.5954 ( 9714 PWs) bands (ev): -11.6253 -11.6246 -11.6210 -11.6206 -11.2161 -11.2152 -11.1409 -11.1408 -11.1372 -11.1366 -9.0142 -9.0140 -8.6012 -8.5974 -8.5326 -8.5302 -8.4968 -8.4925 -2.6221 -2.6218 -0.7568 -0.7357 -0.1083 -0.0934 0.1927 0.2641 0.4640 0.6581 0.9293 1.1451 1.2682 1.3896 1.4413 1.6094 1.7347 1.8264 1.8511 1.9187 2.1198 2.1434 2.4103 2.5066 2.8387 2.8994 3.0823 3.1496 3.2875 3.3087 3.4361 3.4642 3.5799 3.5886 5.6554 5.6760 7.3411 7.3729 8.1920 8.2202 8.3555 8.4027 8.4987 8.5415 k = 0.5000 0.3766 0.5725 ( 9724 PWs) bands (ev): -11.6253 -11.6246 -11.6209 -11.6205 -11.2161 -11.2151 -11.1409 -11.1408 -11.1372 -11.1366 -9.0160 -9.0158 -8.6060 -8.6020 -8.5290 -8.5269 -8.4958 -8.4915 -2.6138 -2.6131 -0.7337 -0.7093 -0.0951 -0.0845 0.1852 0.2723 0.4626 0.6652 0.9165 1.1537 1.2487 1.3682 1.4378 1.6109 1.7314 1.8318 1.8452 1.9168 2.1166 2.1404 2.3924 2.4959 2.8292 2.8903 3.0784 3.1433 3.2731 3.2963 3.4293 3.4601 3.5687 3.5771 5.6764 5.7006 7.3637 7.3988 8.2059 8.2415 8.3272 8.3825 8.4295 8.4744 k = 0.5000 0.3766 0.5496 ( 9728 PWs) bands (ev): -11.6253 -11.6246 -11.6209 -11.6205 -11.2161 -11.2150 -11.1409 -11.1409 -11.1372 -11.1365 -9.0182 -9.0180 -8.6115 -8.6073 -8.5248 -8.5228 -8.4944 -8.4900 -2.6058 -2.6045 -0.7095 -0.6815 -0.0811 -0.0757 0.1767 0.2827 0.4629 0.6718 0.9036 1.1621 1.2289 1.3465 1.4348 1.6125 1.7279 1.8355 1.8411 1.9139 2.1144 2.1390 2.3751 2.4856 2.8191 2.8788 3.0747 3.1355 3.2595 3.2851 3.4226 3.4557 3.5572 3.5652 5.6957 5.7237 7.3838 7.4223 8.1939 8.2368 8.2999 8.3673 8.3841 8.4152 k = 0.5000 0.3766 0.5267 ( 9730 PWs) bands (ev): -11.6254 -11.6246 -11.6209 -11.6204 -11.2161 -11.2149 -11.1410 -11.1409 -11.1372 -11.1365 -9.0207 -9.0205 -8.6176 -8.6134 -8.5199 -8.5181 -8.4926 -8.4882 -2.5983 -2.5964 -0.6848 -0.6526 -0.0710 -0.0630 0.1674 0.2953 0.4648 0.6780 0.8908 1.1701 1.2087 1.3251 1.4320 1.6145 1.7240 1.8304 1.8458 1.9101 2.1132 2.1395 2.3585 2.4760 2.8085 2.8656 3.0706 3.1265 3.2471 3.2754 3.4159 3.4510 3.5457 3.5529 5.7127 5.7445 7.4004 7.4424 8.1585 8.2002 8.2561 8.3401 8.3608 8.4027 k = 0.5000 0.3766 0.5038 ( 9726 PWs) bands (ev): -11.6254 -11.6245 -11.6208 -11.6204 -11.2160 -11.2148 -11.1410 -11.1409 -11.1372 -11.1364 -9.0236 -9.0234 -8.6241 -8.6199 -8.5146 -8.5130 -8.4904 -8.4861 -2.5914 -2.5888 -0.6597 -0.6229 -0.0650 -0.0462 0.1578 0.3105 0.4682 0.6839 0.8781 1.1768 1.1894 1.3048 1.4295 1.6167 1.7200 1.8228 1.8526 1.9055 2.1129 2.1420 2.3429 2.4673 2.7978 2.8508 3.0654 3.1165 3.2363 3.2672 3.4093 3.4459 3.5343 3.5404 5.7267 5.7623 7.4126 7.4581 8.1102 8.1466 8.2010 8.2819 8.3694 8.4146 k = 0.5000 0.3766 0.4809 ( 9726 PWs) bands (ev): -11.6254 -11.6245 -11.6208 -11.6203 -11.2160 -11.2147 -11.1410 -11.1409 -11.1372 -11.1364 -9.0268 -9.0266 -8.6310 -8.6268 -8.5088 -8.5074 -8.4877 -8.4835 -2.5853 -2.5820 -0.6347 -0.5929 -0.0608 -0.0280 0.1486 0.3284 0.4726 0.6897 0.8657 1.1661 1.1872 1.2859 1.4272 1.6192 1.7158 1.8143 1.8597 1.9004 2.1138 2.1465 2.3284 2.4594 2.7869 2.8351 3.0586 3.1060 3.2272 3.2606 3.4028 3.4405 3.5229 3.5279 5.7375 5.7766 7.4195 7.4685 8.0555 8.0859 8.1459 8.2239 8.3777 8.4244 k = 0.5000 0.3766 0.4580 ( 9738 PWs) bands (ev): -11.6254 -11.6245 -11.6208 -11.6202 -11.2160 -11.2146 -11.1410 -11.1409 -11.1372 -11.1364 -9.0303 -9.0301 -8.6382 -8.6340 -8.5028 -8.5014 -8.4846 -8.4805 -2.5802 -2.5762 -0.6103 -0.5631 -0.0580 -0.0089 0.1403 0.3488 0.4780 0.6956 0.8537 1.1461 1.1939 1.2691 1.4253 1.6221 1.7117 1.8051 1.8666 1.8953 2.1159 2.1526 2.3151 2.4526 2.7761 2.8186 3.0499 3.0954 3.2200 3.2554 3.3965 3.4348 3.5115 3.5155 5.7445 5.7870 7.4208 7.4728 7.9971 8.0224 8.0924 8.1679 8.3799 8.4273 k = 0.5000 0.3766 0.4351 ( 9740 PWs) bands (ev): -11.6254 -11.6245 -11.6207 -11.6202 -11.2159 -11.2146 -11.1410 -11.1409 -11.1372 -11.1363 -9.0342 -9.0339 -8.6455 -8.6414 -8.4965 -8.4953 -8.4811 -8.4771 -2.5761 -2.5714 -0.5870 -0.5340 -0.0561 0.0110 0.1336 0.3716 0.4840 0.7015 0.8422 1.1260 1.1999 1.2550 1.4238 1.6251 1.7076 1.7951 1.8718 1.8914 2.1194 2.1603 2.3031 2.4469 2.7655 2.8018 3.0394 3.0849 3.2145 3.2515 3.3904 3.4289 3.4999 3.5037 5.7476 5.7931 7.4160 7.4707 7.9363 7.9581 8.0411 8.1146 8.3746 8.4219 k = 0.5000 0.3766 0.4122 ( 9752 PWs) bands (ev): -11.6254 -11.6245 -11.6207 -11.6202 -11.2159 -11.2145 -11.1411 -11.1409 -11.1372 -11.1363 -9.0383 -9.0380 -8.6529 -8.6489 -8.4900 -8.4890 -8.4772 -8.4733 -2.5731 -2.5677 -0.5652 -0.5064 -0.0544 0.0312 0.1293 0.3963 0.4905 0.7076 0.8315 1.1063 1.2037 1.2451 1.4229 1.6283 1.7037 1.7846 1.8720 1.8919 2.1243 2.1693 2.2926 2.4425 2.7550 2.7849 3.0274 3.0746 3.2108 3.2488 3.3845 3.4228 3.4878 3.4926 5.7466 5.7948 7.4057 7.4621 7.8739 7.8934 7.9922 8.0643 8.3614 8.4083 k = 0.5000 0.3766 0.3893 ( 9768 PWs) bands (ev): -11.6255 -11.6245 -11.6206 -11.6201 -11.2159 -11.2144 -11.1411 -11.1410 -11.1372 -11.1363 -9.0426 -9.0424 -8.6603 -8.6564 -8.4835 -8.4826 -8.4730 -8.4692 -2.5712 -2.5651 -0.5454 -0.4813 -0.0520 0.0515 0.1280 0.4225 0.4973 0.7137 0.8220 1.0873 1.2032 1.2414 1.4227 1.6315 1.6998 1.7739 1.8672 1.8968 2.1305 2.1793 2.2836 2.4392 2.7446 2.7684 3.0144 3.0644 3.2087 3.2471 3.3788 3.4165 3.4756 3.4822 5.7417 5.7921 7.3902 7.4475 7.8104 7.8285 7.9457 8.0167 8.3411 8.3870 k = 0.5000 0.3766 0.3664 ( 9774 PWs) bands (ev): -11.6255 -11.6245 -11.6206 -11.6200 -11.2158 -11.2143 -11.1411 -11.1410 -11.1371 -11.1363 -9.0471 -9.0469 -8.6676 -8.6639 -8.4770 -8.4762 -8.4684 -8.4648 -2.5705 -2.5638 -0.5281 -0.4595 -0.0478 0.0711 0.1305 0.4495 0.5044 0.7195 0.8142 1.0690 1.1983 1.2441 1.4232 1.6344 1.6959 1.7635 1.8603 1.9029 2.1381 2.1901 2.2765 2.4372 2.7340 2.7528 3.0008 3.0541 3.2078 3.2463 3.3732 3.4101 3.4635 3.4722 5.7330 5.7850 7.3707 7.4277 7.7467 7.7637 7.9012 7.9711 8.3149 8.3595 k = 0.5000 0.3766 0.3435 ( 9774 PWs) bands (ev): -11.6255 -11.6245 -11.6205 -11.6200 -11.2157 -11.2143 -11.1412 -11.1410 -11.1371 -11.1362 -9.0517 -9.0515 -8.6748 -8.6713 -8.4705 -8.4699 -8.4635 -8.4601 -2.5708 -2.5636 -0.5136 -0.4420 -0.0408 0.0894 0.1375 0.4760 0.5123 0.7245 0.8089 1.0518 1.1917 1.2503 1.4246 1.6368 1.6913 1.7541 1.8526 1.9087 2.1470 2.2013 2.2713 2.4364 2.7225 2.7390 2.9871 3.0438 3.2082 3.2465 3.3678 3.4037 3.4517 3.4627 5.7207 5.7739 7.3482 7.4040 7.6835 7.6996 7.8581 7.9267 8.2840 8.3270 k = 0.5000 0.3766 0.3206 ( 9776 PWs) bands (ev): -11.6255 -11.6245 -11.6204 -11.6199 -11.2157 -11.2142 -11.1412 -11.1411 -11.1370 -11.1362 -9.0564 -9.0562 -8.6818 -8.6785 -8.4642 -8.4637 -8.4585 -8.4552 -2.5721 -2.5645 -0.5021 -0.4295 -0.0300 0.1059 0.1493 0.4993 0.5228 0.7282 0.8069 1.0354 1.1852 1.2583 1.4271 1.6386 1.6856 1.7468 1.8444 1.9136 2.1569 2.2123 2.2686 2.4367 2.7094 2.7278 2.9736 3.0333 3.2095 3.2476 3.3625 3.3973 3.4402 3.4534 5.7054 5.7592 7.3237 7.3776 7.6216 7.6367 7.8156 7.8827 8.2497 8.2908 k = 0.5000 0.3766 0.2977 ( 9776 PWs) bands (ev): -11.6255 -11.6245 -11.6204 -11.6199 -11.2156 -11.2141 -11.1412 -11.1411 -11.1370 -11.1362 -9.0612 -9.0609 -8.6886 -8.6855 -8.4580 -8.4577 -8.4533 -8.4503 -2.5742 -2.5664 -0.4937 -0.4221 -0.0152 0.1213 0.1650 0.5140 0.5403 0.7303 0.8088 1.0200 1.1796 1.2671 1.4307 1.6395 1.6781 1.7423 1.8358 1.9173 2.1678 2.2223 2.2693 2.4380 2.6953 2.7188 2.9604 3.0226 3.2116 3.2496 3.3571 3.3911 3.4293 3.4443 5.6876 5.7414 7.2984 7.3496 7.5616 7.5755 7.7732 7.8383 8.2132 8.2523 k = 0.5000 0.3766 0.2748 ( 9776 PWs) bands (ev): -11.6254 -11.6245 -11.6203 -11.6198 -11.2155 -11.2141 -11.1412 -11.1411 -11.1369 -11.1362 -9.0658 -9.0656 -8.6951 -8.6921 -8.4521 -8.4519 -8.4480 -8.4452 -2.5771 -2.5692 -0.4883 -0.4196 0.0036 0.1365 0.1832 0.5219 0.5621 0.7317 0.8142 1.0054 1.1754 1.2763 1.4355 1.6393 1.6690 1.7407 1.8270 1.9195 2.1793 2.2302 2.2741 2.4402 2.6813 2.7111 2.9479 3.0119 3.2145 3.2524 3.3515 3.3851 3.4189 3.4356 5.6678 5.7210 7.2731 7.3210 7.5042 7.5169 7.7309 7.7935 8.1756 8.2125 k = 0.5000 0.3766 0.2519 ( 9772 PWs) bands (ev): -11.6254 -11.6246 -11.6202 -11.6198 -11.2154 -11.2141 -11.1412 -11.1411 -11.1369 -11.1362 -9.0704 -9.0702 -8.7012 -8.6985 -8.4465 -8.4463 -8.4427 -8.4402 -2.5806 -2.5727 -0.4854 -0.4213 0.0257 0.1522 0.2023 0.5269 0.5830 0.7335 0.8222 0.9916 1.1727 1.2855 1.4418 1.6378 1.6594 1.7417 1.8180 1.9200 2.1912 2.2359 2.2832 2.4432 2.6678 2.7042 2.9360 3.0011 3.2179 3.2560 3.3458 3.3796 3.4091 3.4271 5.6467 5.6987 7.2486 7.2929 7.4498 7.4612 7.6884 7.7481 8.1378 8.1724 k = 0.5000 0.3766 0.2290 ( 9788 PWs) bands (ev): -11.6254 -11.6246 -11.6202 -11.6198 -11.2154 -11.2141 -11.1413 -11.1411 -11.1368 -11.1362 -9.0747 -9.0746 -8.7069 -8.7045 -8.4412 -8.4410 -8.4376 -8.4354 -2.5844 -2.5767 -0.4848 -0.4262 0.0500 0.1685 0.2219 0.5296 0.6016 0.7371 0.8318 0.9783 1.1718 1.2942 1.4496 1.6343 1.6507 1.7443 1.8088 1.9186 2.2032 2.2402 2.2955 2.4467 2.6552 2.6978 2.9251 2.9903 3.2218 3.2604 3.3398 3.3746 3.4001 3.4188 5.6250 5.6751 7.2257 7.2660 7.3990 7.4089 7.6461 7.7026 8.1006 8.1328 k = 0.5000 0.3766 0.2061 ( 9788 PWs) bands (ev): -11.6254 -11.6246 -11.6201 -11.6197 -11.2153 -11.2140 -11.1413 -11.1411 -11.1368 -11.1362 -9.0789 -9.0787 -8.7122 -8.7100 -8.4363 -8.4360 -8.4327 -8.4307 -2.5886 -2.5812 -0.4860 -0.4335 0.0756 0.1848 0.2415 0.5298 0.6179 0.7429 0.8421 0.9655 1.1728 1.3019 1.4592 1.6282 1.6443 1.7479 1.7997 1.9153 2.2150 2.2442 2.3096 2.4505 2.6438 2.6917 2.9152 2.9794 3.2261 3.2653 3.3335 3.3702 3.3918 3.4107 5.6033 5.6509 7.2047 7.2408 7.3519 7.3606 7.6044 7.6573 8.0649 8.0944 k = 0.5000 0.3766 0.1832 ( 9782 PWs) bands (ev): -11.6253 -11.6247 -11.6200 -11.6197 -11.2152 -11.2140 -11.1413 -11.1411 -11.1367 -11.1362 -9.0827 -9.0826 -8.7171 -8.7151 -8.4318 -8.4314 -8.4281 -8.4264 -2.5928 -2.5858 -0.4883 -0.4421 0.1015 0.2005 0.2612 0.5271 0.6327 0.7506 0.8521 0.9530 1.1760 1.3079 1.4704 1.6208 1.6396 1.7514 1.7913 1.9101 2.2263 2.2485 2.3247 2.4542 2.6338 2.6857 2.9065 2.9687 3.2307 3.2707 3.3272 3.3664 3.3843 3.4028 5.5824 5.6268 7.1862 7.2179 7.3091 7.3167 7.5638 7.6128 8.0311 8.0579 k = 0.5000 0.3766 0.1603 ( 9764 PWs) bands (ev): -11.6253 -11.6246 -11.6200 -11.6196 -11.2150 -11.2140 -11.1412 -11.1411 -11.1367 -11.1362 -9.0863 -9.0861 -8.7214 -8.7196 -8.4276 -8.4273 -8.4238 -8.4224 -2.5968 -2.5905 -0.4913 -0.4515 0.1269 0.2149 0.2809 0.5213 0.6473 0.7591 0.8614 0.9407 1.1815 1.3118 1.4831 1.6142 1.6356 1.7527 1.7852 1.9033 2.2367 2.2531 2.3403 2.4575 2.6255 2.6796 2.8993 2.9580 3.2354 3.2763 3.3212 3.3633 3.3775 3.3951 5.5627 5.6033 7.1705 7.1974 7.2707 7.2775 7.5251 7.5698 8.0001 8.0239 k = 0.5000 0.3766 0.1374 ( 9780 PWs) bands (ev): -11.6253 -11.6247 -11.6199 -11.6197 -11.2150 -11.2141 -11.1412 -11.1412 -11.1366 -11.1362 -9.0894 -9.0893 -8.7252 -8.7237 -8.4239 -8.4236 -8.4200 -8.4188 -2.6007 -2.5950 -0.4946 -0.4609 0.1509 0.2272 0.3008 0.5127 0.6622 0.7672 0.8694 0.9289 1.1892 1.3130 1.4971 1.6092 1.6317 1.7490 1.7841 1.8949 2.2461 2.2581 2.3559 2.4600 2.6192 2.6732 2.8937 2.9475 3.2403 3.2815 3.3159 3.3608 3.3714 3.3877 5.5449 5.5810 7.1577 7.1797 7.2368 7.2436 7.4890 7.5291 7.9723 7.9930 k = 0.5000 0.3766 0.1145 ( 9776 PWs) bands (ev): -11.6252 -11.6247 -11.6199 -11.6196 -11.2148 -11.2141 -11.1413 -11.1412 -11.1366 -11.1362 -9.0921 -9.0920 -8.7284 -8.7272 -8.4207 -8.4204 -8.4167 -8.4157 -2.6041 -2.5992 -0.4976 -0.4700 0.1730 0.2371 0.3209 0.5015 0.6779 0.7739 0.8757 0.9178 1.1990 1.3114 1.5117 1.6057 1.6288 1.7402 1.7879 1.8853 2.2542 2.2632 2.3713 2.4610 2.6152 2.6665 2.8898 2.9374 3.2451 3.2851 3.3127 3.3588 3.3659 3.3805 5.5294 5.5606 7.1480 7.1645 7.2078 7.2154 7.4565 7.4915 7.9482 7.9657 k = 0.5000 0.3766 0.0916 ( 9770 PWs) bands (ev): -11.6252 -11.6248 -11.6198 -11.6196 -11.2147 -11.2141 -11.1412 -11.1412 -11.1365 -11.1362 -9.0944 -9.0943 -8.7311 -8.7301 -8.4180 -8.4178 -8.4140 -8.4131 -2.6070 -2.6030 -0.5002 -0.4783 0.1928 0.2442 0.3412 0.4883 0.6943 0.7781 0.8804 0.9078 1.2106 1.3068 1.5262 1.6026 1.6285 1.7283 1.7944 1.8749 2.2610 2.2679 2.3862 2.4603 2.6136 2.6593 2.8876 2.9277 3.2499 3.2857 3.3132 3.3573 3.3610 3.3738 5.5169 5.5425 7.1410 7.1518 7.1838 7.1929 7.4285 7.4579 7.9282 7.9424 k = 0.5000 0.3766 0.0687 ( 9774 PWs) bands (ev): -11.6251 -11.6248 -11.6198 -11.6196 -11.2146 -11.2142 -11.1412 -11.1412 -11.1365 -11.1363 -9.0962 -9.0961 -8.7332 -8.7324 -8.4159 -8.4157 -8.4117 -8.4111 -2.6092 -2.6061 -0.5019 -0.4857 0.2098 0.2484 0.3615 0.4733 0.7110 0.7789 0.8834 0.8995 1.2235 1.2995 1.5399 1.5979 1.6328 1.7146 1.8024 1.8640 2.2665 2.2718 2.4004 2.4574 2.6145 2.6518 2.8874 2.9187 3.2547 3.2830 3.3171 3.3549 3.3575 3.3679 5.5075 5.5271 7.1360 7.1415 7.1656 7.1762 7.4062 7.4293 7.9128 7.9234 k = 0.5000 0.3766 0.0458 ( 9782 PWs) bands (ev): -11.6251 -11.6249 -11.6198 -11.6197 -11.2146 -11.2143 -11.1412 -11.1412 -11.1364 -11.1363 -9.0975 -9.0975 -8.7346 -8.7341 -8.4143 -8.4142 -8.4101 -8.4097 -2.6107 -2.6086 -0.5025 -0.4918 0.2239 0.2496 0.3817 0.4569 0.7275 0.7756 0.8853 0.8935 1.2373 1.2898 1.5525 1.5913 1.6418 1.6998 1.8113 1.8529 2.2708 2.2745 2.4136 2.4524 2.6177 2.6441 2.8889 2.9104 3.2595 3.2788 3.3231 3.3497 3.3568 3.3633 5.5016 5.5149 7.1316 7.1341 7.1543 7.1643 7.3905 7.4065 7.9020 7.9092 k = 0.5000 0.3766 0.0229 ( 9782 PWs) bands (ev): -11.6250 -11.6249 -11.6197 -11.6197 -11.2145 -11.2143 -11.1412 -11.1412 -11.1364 -11.1363 -9.0983 -9.0983 -8.7354 -8.7352 -8.4134 -8.4133 -8.4091 -8.4089 -2.6114 -2.6104 -0.5019 -0.4965 0.2349 0.2478 0.4015 0.4393 0.7431 0.7681 0.8864 0.8897 1.2514 1.2782 1.5638 1.5832 1.6543 1.6843 1.8209 1.8418 2.2739 2.2757 2.4257 2.4453 2.6227 2.6364 2.8921 2.9030 3.2643 3.2741 3.3298 3.3435 3.3571 3.3601 5.4993 5.5060 7.1278 7.1294 7.1502 7.1564 7.3825 7.3907 7.8962 7.8998 k = 0.5000 0.3766-0.0000 ( 9790 PWs) bands (ev): -11.6250 -11.6250 -11.6197 -11.6197 -11.2144 -11.2144 -11.1412 -11.1412 -11.1364 -11.1364 -9.0986 -9.0986 -8.7356 -8.7356 -8.4130 -8.4130 -8.4087 -8.4087 -2.6113 -2.6113 -0.4999 -0.4999 0.2429 0.2429 0.4208 0.4208 0.7570 0.7570 0.8876 0.8876 1.2652 1.2652 1.5740 1.5740 1.6689 1.6689 1.8311 1.8311 2.2755 2.2755 2.4363 2.4363 2.6291 2.6291 2.8969 2.8969 3.2692 3.2692 3.3367 3.3367 3.3581 3.3581 5.5008 5.5008 7.1270 7.1270 7.1516 7.1516 7.3825 7.3825 7.8955 7.8955 k = 0.0000 0.0000 0.8311 ( 9728 PWs) bands (ev): -11.6250 -11.6250 -11.6210 -11.6210 -11.2159 -11.2159 -11.1408 -11.1408 -11.1370 -11.1370 -9.0077 -9.0077 -8.5900 -8.5900 -8.5328 -8.5328 -8.4958 -8.4958 -2.6787 -2.6787 -0.8812 -0.8812 -0.1636 -0.1636 0.2255 0.2255 0.5560 0.5560 1.0484 1.0484 1.4133 1.4133 1.5683 1.5683 1.7764 1.7764 1.8981 1.8981 2.1773 2.1773 2.5661 2.5661 2.8857 2.8857 3.1507 3.1507 3.3926 3.3926 3.4886 3.4886 3.6519 3.6519 5.4969 5.4969 7.1744 7.1744 7.9456 7.9456 8.4856 8.4856 9.0977 9.0977 k = 0.0179 0.0134 0.8311 ( 9718 PWs) bands (ev): -11.6250 -11.6250 -11.6210 -11.6210 -11.2159 -11.2159 -11.1408 -11.1408 -11.1370 -11.1370 -9.0077 -9.0076 -8.5902 -8.5897 -8.5330 -8.5326 -8.4959 -8.4958 -2.6787 -2.6786 -0.8826 -0.8779 -0.1648 -0.1644 0.1922 0.2492 0.5318 0.5904 1.0462 1.0538 1.4093 1.4164 1.5626 1.5735 1.7702 1.7829 1.8986 1.8992 2.1758 2.1788 2.5635 2.5642 2.8853 2.8874 3.1502 3.1512 3.3910 3.3949 3.4876 3.4888 3.6483 3.6527 5.4972 5.4989 7.1754 7.1781 7.9444 7.9450 8.4865 8.4867 9.0950 9.0954 k = 0.0357 0.0269 0.8311 ( 9718 PWs) bands (ev): -11.6250 -11.6250 -11.6210 -11.6209 -11.2160 -11.2159 -11.1408 -11.1408 -11.1370 -11.1370 -9.0077 -9.0076 -8.5903 -8.5894 -8.5333 -8.5325 -8.4959 -8.4958 -2.6786 -2.6783 -0.8822 -0.8729 -0.1680 -0.1673 0.1534 0.2582 0.5228 0.6307 1.0474 1.0624 1.4043 1.4185 1.5562 1.5781 1.7643 1.7898 1.9008 1.9020 2.1745 2.1804 2.5563 2.5577 2.8860 2.8903 3.1495 3.1515 3.3901 3.3978 3.4854 3.4881 3.6422 3.6508 5.4998 5.5032 7.1810 7.1864 7.9414 7.9426 8.4894 8.4900 9.0875 9.0881 k = 0.0536 0.0403 0.8311 ( 9704 PWs) bands (ev): -11.6250 -11.6250 -11.6210 -11.6209 -11.2160 -11.2158 -11.1408 -11.1408 -11.1370 -11.1370 -9.0077 -9.0076 -8.5904 -8.5891 -8.5336 -8.5324 -8.4959 -8.4958 -2.6783 -2.6779 -0.8801 -0.8661 -0.1732 -0.1719 0.1120 0.2507 0.5307 0.6742 1.0518 1.0737 1.3983 1.4199 1.5492 1.5821 1.7588 1.7969 1.9045 1.9066 2.1732 2.1820 2.5449 2.5467 2.8880 2.8944 3.1486 3.1519 3.3898 3.4014 3.4821 3.4869 3.6337 3.6463 5.5046 5.5097 7.1909 7.1990 7.9368 7.9386 8.4941 8.4952 9.0756 9.0761 k = 0.0714 0.0538 0.8311 ( 9720 PWs) bands (ev): -11.6250 -11.6250 -11.6210 -11.6209 -11.2160 -11.2158 -11.1408 -11.1408 -11.1370 -11.1369 -9.0077 -9.0076 -8.5905 -8.5888 -8.5340 -8.5324 -8.4960 -8.4958 -2.6779 -2.6775 -0.8765 -0.8576 -0.1802 -0.1782 0.0697 0.2307 0.5517 0.7191 1.0591 1.0873 1.3913 1.4204 1.5415 1.5856 1.7536 1.8041 1.9098 1.9131 2.1722 2.1838 2.5295 2.5315 2.8912 2.8995 3.1475 3.1525 3.3898 3.4055 3.4776 3.4853 3.6233 3.6396 5.5113 5.5179 7.2048 7.2156 7.9307 7.9332 8.5006 8.5023 9.0597 9.0598 k = 0.0893 0.0672 0.8311 ( 9720 PWs) bands (ev): -11.6250 -11.6250 -11.6211 -11.6209 -11.2160 -11.2158 -11.1408 -11.1408 -11.1371 -11.1369 -9.0077 -9.0075 -8.5905 -8.5884 -8.5344 -8.5324 -8.4960 -8.4958 -2.6775 -2.6769 -0.8716 -0.8477 -0.1887 -0.1857 0.0277 0.2037 0.5799 0.7643 1.0690 1.1026 1.3832 1.4203 1.5332 1.5885 1.7489 1.8114 1.9166 1.9215 2.1714 2.1858 2.5106 2.5124 2.8953 2.9055 3.1462 3.1534 3.3900 3.4099 3.4718 3.4836 3.6114 3.6309 5.5195 5.5276 7.2219 7.2354 7.9233 7.9265 8.5086 8.5111 9.0395 9.0408 k = 0.1071 0.0807 0.8311 ( 9726 PWs) bands (ev): -11.6250 -11.6250 -11.6211 -11.6209 -11.2161 -11.2158 -11.1408 -11.1408 -11.1371 -11.1370 -9.0077 -9.0075 -8.5905 -8.5880 -8.5348 -8.5324 -8.4960 -8.4958 -2.6769 -2.6762 -0.8656 -0.8364 -0.1983 -0.1942 -0.0129 0.1743 0.6110 0.8089 1.0810 1.1189 1.3740 1.4196 1.5241 1.5909 1.7446 1.8185 1.9249 1.9319 2.1710 2.1879 2.4888 2.4899 2.9003 2.9122 3.1448 3.1545 3.3901 3.4144 3.4649 3.4821 3.5987 3.6206 5.5287 5.5383 7.2417 7.2578 7.9150 7.9189 8.5177 8.5213 9.0163 9.0198 k = 0.1250 0.0941 0.8311 ( 9728 PWs) bands (ev): -11.6250 -11.6250 -11.6211 -11.6209 -11.2161 -11.2158 -11.1408 -11.1408 -11.1371 -11.1369 -9.0077 -9.0075 -8.5905 -8.5876 -8.5352 -8.5325 -8.4961 -8.4958 -2.6764 -2.6756 -0.8588 -0.8241 -0.2085 -0.2035 -0.0511 0.1451 0.6422 0.8520 1.0947 1.1353 1.3638 1.4185 1.5144 1.5928 1.7409 1.8252 1.9343 1.9442 2.1713 2.1905 2.4646 2.4647 2.9060 2.9194 3.1433 3.1561 3.3897 3.4186 3.4573 3.4813 3.5858 3.6094 5.5386 5.5494 7.2631 7.2819 7.9061 7.9107 8.5274 8.5326 8.9912 8.9978 k = 0.1429 0.1076 0.8311 ( 9724 PWs) bands (ev): -11.6250 -11.6250 -11.6211 -11.6209 -11.2161 -11.2158 -11.1408 -11.1408 -11.1371 -11.1369 -9.0077 -9.0074 -8.5904 -8.5872 -8.5355 -8.5325 -8.4961 -8.4959 -2.6758 -2.6749 -0.8516 -0.8114 -0.2191 -0.2134 -0.0859 0.1177 0.6718 0.8928 1.1097 1.1509 1.3527 1.4173 1.5043 1.5943 1.7377 1.8312 1.9447 1.9582 2.1724 2.1936 2.4371 2.4390 2.9120 2.9267 3.1417 3.1580 3.3887 3.4214 3.4500 3.4814 3.5732 3.5975 5.5486 5.5606 7.2852 7.3066 7.8971 7.9025 8.5373 8.5444 8.9652 8.9761 k = 0.1607 0.1210 0.8311 ( 9720 PWs) bands (ev): -11.6250 -11.6250 -11.6211 -11.6209 -11.2161 -11.2158 -11.1408 -11.1407 -11.1371 -11.1369 -9.0077 -9.0074 -8.5904 -8.5868 -8.5359 -8.5326 -8.4961 -8.4959 -2.6752 -2.6743 -0.8443 -0.7986 -0.2294 -0.2239 -0.1164 0.0933 0.6985 0.9306 1.1253 1.1650 1.3410 1.4161 1.4939 1.5954 1.7350 1.8365 1.9556 1.9733 2.1747 2.1973 2.4083 2.4127 2.9181 2.9339 3.1402 3.1603 3.3870 3.4206 3.4455 3.4826 3.5616 3.5857 5.5581 5.5711 7.3068 7.3306 7.8884 7.8945 8.5467 8.5563 8.9398 8.9562 k = 0.1786 0.1345 0.8311 ( 9734 PWs) bands (ev): -11.6251 -11.6250 -11.6211 -11.6209 -11.2162 -11.2158 -11.1408 -11.1408 -11.1371 -11.1369 -9.0077 -9.0074 -8.5903 -8.5865 -8.5362 -8.5327 -8.4962 -8.4959 -2.6747 -2.6738 -0.8374 -0.7864 -0.2389 -0.2347 -0.1414 0.0725 0.7215 0.9644 1.1410 1.1767 1.3288 1.4154 1.4836 1.5961 1.7329 1.8410 1.9665 1.9886 2.1786 2.2018 2.3791 2.3867 2.9239 2.9406 3.1388 3.1629 3.3848 3.4149 3.4456 3.4850 3.5513 3.5742 5.5667 5.5806 7.3268 7.3528 7.8804 7.8873 8.5549 8.5676 8.9165 8.9392 k = 0.1964 0.1479 0.8311 ( 9724 PWs) bands (ev): -11.6250 -11.6250 -11.6211 -11.6209 -11.2161 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0077 -9.0074 -8.5903 -8.5863 -8.5365 -8.5327 -8.4962 -8.4959 -2.6743 -2.6733 -0.8315 -0.7757 -0.2470 -0.2454 -0.1603 0.0560 0.7400 0.9931 1.1558 1.1854 1.3169 1.4155 1.4739 1.5967 1.7313 1.8444 1.9765 2.0029 2.1844 2.2072 2.3509 2.3626 2.9290 2.9463 3.1375 3.1654 3.3824 3.4071 3.4482 3.4882 3.5427 3.5638 5.5739 5.5885 7.3439 7.3718 7.8737 7.8812 8.5616 8.5774 8.8966 8.9262 k = 0.2143 0.1614 0.8311 ( 9722 PWs) bands (ev): -11.6250 -11.6250 -11.6211 -11.6208 -11.2161 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0077 -9.0074 -8.5902 -8.5861 -8.5367 -8.5328 -8.4962 -8.4959 -2.6740 -2.6729 -0.8268 -0.7672 -0.2548 -0.2533 -0.1732 0.0439 0.7536 1.0154 1.1686 1.1910 1.3063 1.4164 1.4654 1.5970 1.7302 1.8469 1.9847 2.0146 2.1919 2.2130 2.3256 2.3419 2.9329 2.9507 3.1366 3.1677 3.3803 3.3999 3.4511 3.4917 3.5362 3.5551 5.5794 5.5944 7.3571 7.3864 7.8686 7.8766 8.5663 8.5850 8.8816 8.9174 k = 0.2321 0.1748 0.8311 ( 9722 PWs) bands (ev): -11.6250 -11.6249 -11.6211 -11.6209 -11.2162 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0077 -9.0074 -8.5902 -8.5860 -8.5368 -8.5328 -8.4962 -8.4959 -2.6738 -2.6727 -0.8239 -0.7617 -0.2613 -0.2573 -0.1805 0.0366 0.7619 1.0296 1.1777 1.1940 1.2986 1.4176 1.4594 1.5972 1.7296 1.8484 1.9901 2.0223 2.1995 2.2180 2.3067 2.3274 2.9355 2.9534 3.1359 3.1692 3.3788 3.3950 3.4532 3.4946 3.5320 3.5491 5.5828 5.5981 7.3653 7.3956 7.8655 7.8738 8.5690 8.5898 8.8723 8.9125 k = 0.2500 0.1883 0.8311 ( 9736 PWs) bands (ev): -11.6251 -11.6250 -11.6212 -11.6209 -11.2162 -11.2157 -11.1408 -11.1407 -11.1371 -11.1369 -9.0077 -9.0074 -8.5902 -8.5859 -8.5368 -8.5328 -8.4962 -8.4959 -2.6738 -2.6727 -0.8228 -0.7598 -0.2636 -0.2587 -0.1828 0.0341 0.7647 1.0345 1.1811 1.1949 1.2957 1.4182 1.4572 1.5972 1.7294 1.8489 1.9920 2.0250 2.2029 2.2200 2.2993 2.3221 2.9363 2.9544 3.1357 3.1698 3.3783 3.3933 3.4540 3.4958 3.5306 3.5468 5.5839 5.5993 7.3682 7.3988 7.8644 7.8728 8.5699 8.5914 8.8691 8.9110 Writing output data file GaCuI4.save init_run : 2.11s CPU 11.71s WALL ( 1 calls) electrons : 840.26s CPU 852.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.45s CPU 1.69s WALL ( 1 calls) Called by electrons: c_bands : 840.23s CPU 852.02s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.96s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.11s CPU 0.65s WALL ( 1 calls) newd : 0.26s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.33s WALL ( 258 calls) cegterg : 755.27s CPU 762.72s WALL ( 494 calls) Called by sum_band: Called by *egterg: h_psi : 445.65s CPU 451.54s WALL ( 7174 calls) s_psi : 24.00s CPU 24.25s WALL ( 7174 calls) g_psi : 1.18s CPU 1.18s WALL ( 6422 calls) cdiaghg : 183.73s CPU 182.45s WALL ( 6680 calls) cegterg:over : 66.54s CPU 65.06s WALL ( 6422 calls) cegterg:upda : 24.97s CPU 26.89s WALL ( 6422 calls) cegterg:last : 20.09s CPU 20.57s WALL ( 1268 calls) Called by h_psi: h_psi:vloc : 385.33s CPU 389.56s WALL ( 7174 calls) h_psi:vnl : 59.71s CPU 60.89s WALL ( 7174 calls) add_vuspsi : 21.30s CPU 23.85s WALL ( 7174 calls) General routines calbec : 38.37s CPU 36.95s WALL ( 7174 calls) fft : 0.22s CPU 1.19s WALL ( 19 calls) ffts : 0.03s CPU 0.08s WALL ( 4 calls) fftw : 360.56s CPU 363.73s WALL ( 942248 calls) interpolate : 0.16s CPU 0.22s WALL ( 4 calls) davcio : 0.04s CPU 4.03s WALL ( 516 calls) Parallel routines fft_scatter : 171.77s CPU 172.31s WALL ( 942271 calls) PWSCF : 15m21.95s CPU 18m56.41s WALL This run was terminated on: 19:27:18 17Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=