Program PWSCF v.5.1.1 starts on 30May2015 at 21:45: 1 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: ./AgCl.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 15 4 592 433 70 Max 19 16 5 601 454 77 Sum 911 745 221 28685 21385 3509 bravais-lattice index = 14 lattice parameter (alat) = 7.5438 a.u. unit-cell volume = 507.3216 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.543786 celldm(2)= 0.898547 celldm(3)= 1.329409 celldm(4)= 0.146083 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.898547 0.000000 ) a(3) = ( 0.000000 0.194204 1.315147 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.112908 -0.164340 ) b(3) = ( 0.000000 0.000000 0.760371 ) PseudoPot. # 1 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd 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 1237 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 Cl 7.00 35.45300 Cl( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0000000 0.0000000 0.0126729), wk = 0.0029674 k( 3) = ( 0.0000000 0.0000000 0.0253457), wk = 0.0029674 k( 4) = ( 0.0000000 0.0000000 0.0380186), wk = 0.0029674 k( 5) = ( 0.0000000 0.0000000 0.0506914), wk = 0.0029674 k( 6) = ( 0.0000000 0.0000000 0.0633643), wk = 0.0029674 k( 7) = ( 0.0000000 0.0000000 0.0760371), wk = 0.0029674 k( 8) = ( 0.0000000 0.0000000 0.0887100), wk = 0.0029674 k( 9) = ( 0.0000000 0.0000000 0.1013828), wk = 0.0029674 k( 10) = ( 0.0000000 0.0000000 0.1140557), wk = 0.0029674 k( 11) = ( 0.0000000 0.0000000 0.1267285), wk = 0.0029674 k( 12) = ( 0.0000000 0.0000000 0.1394014), wk = 0.0029674 k( 13) = ( 0.0000000 0.0000000 0.1520742), wk = 0.0029674 k( 14) = ( 0.0000000 0.0000000 0.1647471), wk = 0.0029674 k( 15) = ( 0.0000000 0.0000000 0.1774199), wk = 0.0029674 k( 16) = ( 0.0000000 0.0000000 0.1900928), wk = 0.0029674 k( 17) = ( 0.0000000 0.0000000 0.2027656), wk = 0.0029674 k( 18) = ( 0.0000000 0.0000000 0.2154385), wk = 0.0029674 k( 19) = ( 0.0000000 0.0000000 0.2281113), wk = 0.0029674 k( 20) = ( 0.0000000 0.0000000 0.2407842), wk = 0.0029674 k( 21) = ( 0.0000000 0.0000000 0.2534570), wk = 0.0029674 k( 22) = ( 0.0000000 0.0000000 0.2661299), wk = 0.0029674 k( 23) = ( 0.0000000 0.0000000 0.2788027), wk = 0.0029674 k( 24) = ( 0.0000000 0.0000000 0.2914756), wk = 0.0029674 k( 25) = ( 0.0000000 0.0000000 0.3041484), wk = 0.0029674 k( 26) = ( 0.0000000 0.0000000 0.3168213), wk = 0.0029674 k( 27) = ( 0.0000000 0.0000000 0.3294941), wk = 0.0029674 k( 28) = ( 0.0000000 0.0000000 0.3421670), wk = 0.0029674 k( 29) = ( 0.0000000 0.0000000 0.3548398), wk = 0.0029674 k( 30) = ( 0.0000000 0.0000000 0.3675127), wk = 0.0029674 k( 31) = ( 0.0000000 0.0000000 0.3801855), wk = 0.0029674 k( 32) = ( 0.0000000 0.0000000 0.3801855), wk = 0.0029674 k( 33) = ( 0.0000000 0.0124987 0.3801855), wk = 0.0029674 k( 34) = ( 0.0000000 0.0249974 0.3801855), wk = 0.0029674 k( 35) = ( 0.0000000 0.0374961 0.3801855), wk = 0.0029674 k( 36) = ( 0.0000000 0.0499948 0.3801855), wk = 0.0029674 k( 37) = ( 0.0000000 0.0624935 0.3801855), wk = 0.0029674 k( 38) = ( 0.0000000 0.0749922 0.3801855), wk = 0.0029674 k( 39) = ( 0.0000000 0.0874909 0.3801855), wk = 0.0029674 k( 40) = ( 0.0000000 0.0999896 0.3801855), wk = 0.0029674 k( 41) = ( 0.0000000 0.1124883 0.3801855), wk = 0.0029674 k( 42) = ( 0.0000000 0.1249870 0.3801855), wk = 0.0029674 k( 43) = ( 0.0000000 0.1374857 0.3801855), wk = 0.0029674 k( 44) = ( 0.0000000 0.1499844 0.3801855), wk = 0.0029674 k( 45) = ( 0.0000000 0.1624831 0.3801855), wk = 0.0029674 k( 46) = ( 0.0000000 0.1749818 0.3801855), wk = 0.0029674 k( 47) = ( 0.0000000 0.1874805 0.3801855), wk = 0.0029674 k( 48) = ( 0.0000000 0.1999792 0.3801855), wk = 0.0029674 k( 49) = ( 0.0000000 0.2124779 0.3801855), wk = 0.0029674 k( 50) = ( 0.0000000 0.2249766 0.3801855), wk = 0.0029674 k( 51) = ( 0.0000000 0.2374753 0.3801855), wk = 0.0029674 k( 52) = ( 0.0000000 0.2499740 0.3801855), wk = 0.0029674 k( 53) = ( 0.0000000 0.2624727 0.3801855), wk = 0.0029674 k( 54) = ( 0.0000000 0.2749714 0.3801855), wk = 0.0029674 k( 55) = ( 0.0000000 0.2874701 0.3801855), wk = 0.0029674 k( 56) = ( 0.0000000 0.2999688 0.3801855), wk = 0.0029674 k( 57) = ( 0.0000000 0.3124675 0.3801855), wk = 0.0029674 k( 58) = ( 0.0000000 0.3249662 0.3801855), wk = 0.0029674 k( 59) = ( 0.0000000 0.3374649 0.3801855), wk = 0.0029674 k( 60) = ( 0.0000000 0.3499636 0.3801855), wk = 0.0029674 k( 61) = ( 0.0000000 0.3624623 0.3801855), wk = 0.0029674 k( 62) = ( 0.0000000 0.3749610 0.3801855), wk = 0.0029674 k( 63) = ( 0.0000000 0.3874597 0.3801855), wk = 0.0029674 k( 64) = ( 0.0000000 0.3999584 0.3801855), wk = 0.0029674 k( 65) = ( 0.0000000 0.4124571 0.3801855), wk = 0.0029674 k( 66) = ( 0.0000000 0.4249558 0.3801855), wk = 0.0029674 k( 67) = ( 0.0000000 0.4374545 0.3801855), wk = 0.0029674 k( 68) = ( 0.0000000 0.4499532 0.3801855), wk = 0.0029674 k( 69) = ( 0.0000000 0.4624519 0.3801855), wk = 0.0029674 k( 70) = ( 0.0000000 0.4749506 0.3801855), wk = 0.0029674 k( 71) = ( 0.0000000 0.4874493 0.3801855), wk = 0.0029674 k( 72) = ( 0.0000000 0.4999481 0.3801855), wk = 0.0029674 k( 73) = ( 0.0000000 0.5124468 0.3801855), wk = 0.0029674 k( 74) = ( 0.0000000 0.5124468 0.3801855), wk = 0.0029674 k( 75) = ( 0.0000000 0.5179476 0.3699143), wk = 0.0029674 k( 76) = ( 0.0000000 0.5234485 0.3596430), wk = 0.0029674 k( 77) = ( 0.0000000 0.5289494 0.3493718), wk = 0.0029674 k( 78) = ( 0.0000000 0.5344503 0.3391006), wk = 0.0029674 k( 79) = ( 0.0000000 0.5399512 0.3288293), wk = 0.0029674 k( 80) = ( 0.0000000 0.5454521 0.3185581), wk = 0.0029674 k( 81) = ( 0.0000000 0.5509530 0.3082868), wk = 0.0029674 k( 82) = ( 0.0000000 0.5564539 0.2980156), wk = 0.0029674 k( 83) = ( 0.0000000 0.5564539 0.2980156), wk = 0.0029674 k( 84) = ( 0.0125000 0.5564539 0.2980156), wk = 0.0029674 k( 85) = ( 0.0250000 0.5564539 0.2980156), wk = 0.0029674 k( 86) = ( 0.0375000 0.5564539 0.2980156), wk = 0.0029674 k( 87) = ( 0.0500000 0.5564539 0.2980156), wk = 0.0029674 k( 88) = ( 0.0625000 0.5564539 0.2980156), wk = 0.0029674 k( 89) = ( 0.0750000 0.5564539 0.2980156), wk = 0.0029674 k( 90) = ( 0.0875000 0.5564539 0.2980156), wk = 0.0029674 k( 91) = ( 0.1000000 0.5564539 0.2980156), wk = 0.0029674 k( 92) = ( 0.1125000 0.5564539 0.2980156), wk = 0.0029674 k( 93) = ( 0.1250000 0.5564539 0.2980156), wk = 0.0029674 k( 94) = ( 0.1375000 0.5564539 0.2980156), wk = 0.0029674 k( 95) = ( 0.1500000 0.5564539 0.2980156), wk = 0.0029674 k( 96) = ( 0.1625000 0.5564539 0.2980156), wk = 0.0029674 k( 97) = ( 0.1750000 0.5564539 0.2980156), wk = 0.0029674 k( 98) = ( 0.1875000 0.5564539 0.2980156), wk = 0.0029674 k( 99) = ( 0.2000000 0.5564539 0.2980156), wk = 0.0029674 k( 100) = ( 0.2125000 0.5564539 0.2980156), wk = 0.0029674 k( 101) = ( 0.2250000 0.5564539 0.2980156), wk = 0.0029674 k( 102) = ( 0.2375000 0.5564539 0.2980156), wk = 0.0029674 k( 103) = ( 0.2500000 0.5564539 0.2980156), wk = 0.0029674 k( 104) = ( 0.2625000 0.5564539 0.2980156), wk = 0.0029674 k( 105) = ( 0.2750000 0.5564539 0.2980156), wk = 0.0029674 k( 106) = ( 0.2875000 0.5564539 0.2980156), wk = 0.0029674 k( 107) = ( 0.3000000 0.5564539 0.2980156), wk = 0.0029674 k( 108) = ( 0.3125000 0.5564539 0.2980156), wk = 0.0029674 k( 109) = ( 0.3250000 0.5564539 0.2980156), wk = 0.0029674 k( 110) = ( 0.3375000 0.5564539 0.2980156), wk = 0.0029674 k( 111) = ( 0.3500000 0.5564539 0.2980156), wk = 0.0029674 k( 112) = ( 0.3625000 0.5564539 0.2980156), wk = 0.0029674 k( 113) = ( 0.3750000 0.5564539 0.2980156), wk = 0.0029674 k( 114) = ( 0.3875000 0.5564539 0.2980156), wk = 0.0029674 k( 115) = ( 0.4000000 0.5564539 0.2980156), wk = 0.0029674 k( 116) = ( 0.4125000 0.5564539 0.2980156), wk = 0.0029674 k( 117) = ( 0.4250000 0.5564539 0.2980156), wk = 0.0029674 k( 118) = ( 0.4375000 0.5564539 0.2980156), wk = 0.0029674 k( 119) = ( 0.4500000 0.5564539 0.2980156), wk = 0.0029674 k( 120) = ( 0.4625000 0.5564539 0.2980156), wk = 0.0029674 k( 121) = ( 0.4750000 0.5564539 0.2980156), wk = 0.0029674 k( 122) = ( 0.4875000 0.5564539 0.2980156), wk = 0.0029674 k( 123) = ( 0.5000000 0.5564539 0.2980156), wk = 0.0029674 k( 124) = ( 0.5000000 0.5564539 0.2980156), wk = 0.0029674 k( 125) = ( 0.5000000 0.5619548 0.2877443), wk = 0.0029674 k( 126) = ( 0.5000000 0.5674556 0.2774731), wk = 0.0029674 k( 127) = ( 0.5000000 0.5729565 0.2672018), wk = 0.0029674 k( 128) = ( 0.5000000 0.5784574 0.2569306), wk = 0.0029674 k( 129) = ( 0.5000000 0.5839583 0.2466593), wk = 0.0029674 k( 130) = ( 0.5000000 0.5894592 0.2363881), wk = 0.0029674 k( 131) = ( 0.5000000 0.5949601 0.2261169), wk = 0.0029674 k( 132) = ( 0.5000000 0.6004610 0.2158456), wk = 0.0029674 k( 133) = ( 0.5000000 0.6004610 0.2158456), wk = 0.0029674 k( 134) = ( 0.5000000 0.5986273 0.2034283), wk = 0.0029674 k( 135) = ( 0.5000000 0.5967937 0.1910110), wk = 0.0029674 k( 136) = ( 0.5000000 0.5949601 0.1785937), wk = 0.0029674 k( 137) = ( 0.5000000 0.5931265 0.1661764), wk = 0.0029674 k( 138) = ( 0.5000000 0.5912928 0.1537590), wk = 0.0029674 k( 139) = ( 0.5000000 0.5894592 0.1413417), wk = 0.0029674 k( 140) = ( 0.5000000 0.5876256 0.1289244), wk = 0.0029674 k( 141) = ( 0.5000000 0.5857919 0.1165071), wk = 0.0029674 k( 142) = ( 0.5000000 0.5839583 0.1040898), wk = 0.0029674 k( 143) = ( 0.5000000 0.5821247 0.0916725), wk = 0.0029674 k( 144) = ( 0.5000000 0.5802910 0.0792551), wk = 0.0029674 k( 145) = ( 0.5000000 0.5784574 0.0668378), wk = 0.0029674 k( 146) = ( 0.5000000 0.5766238 0.0544205), wk = 0.0029674 k( 147) = ( 0.5000000 0.5747902 0.0420032), wk = 0.0029674 k( 148) = ( 0.5000000 0.5729565 0.0295859), wk = 0.0029674 k( 149) = ( 0.5000000 0.5711229 0.0171686), wk = 0.0029674 k( 150) = ( 0.5000000 0.5692893 0.0047513), wk = 0.0029674 k( 151) = ( 0.5000000 0.5674556 -0.0076661), wk = 0.0029674 k( 152) = ( 0.5000000 0.5656220 -0.0200834), wk = 0.0029674 k( 153) = ( 0.5000000 0.5637884 -0.0325007), wk = 0.0029674 k( 154) = ( 0.5000000 0.5619548 -0.0449180), wk = 0.0029674 k( 155) = ( 0.5000000 0.5601211 -0.0573353), wk = 0.0029674 k( 156) = ( 0.5000000 0.5582875 -0.0697526), wk = 0.0029674 k( 157) = ( 0.5000000 0.5564539 -0.0821700), wk = 0.0029674 k( 158) = ( 0.5000000 0.5564539 -0.0821700), wk = 0.0029674 k( 159) = ( 0.4875000 0.5564539 -0.0821700), wk = 0.0029674 k( 160) = ( 0.4750000 0.5564539 -0.0821700), wk = 0.0029674 k( 161) = ( 0.4625000 0.5564539 -0.0821700), wk = 0.0029674 k( 162) = ( 0.4500000 0.5564539 -0.0821700), wk = 0.0029674 k( 163) = ( 0.4375000 0.5564539 -0.0821700), wk = 0.0029674 k( 164) = ( 0.4250000 0.5564539 -0.0821700), wk = 0.0029674 k( 165) = ( 0.4125000 0.5564539 -0.0821700), wk = 0.0029674 k( 166) = ( 0.4000000 0.5564539 -0.0821700), wk = 0.0029674 k( 167) = ( 0.3875000 0.5564539 -0.0821700), wk = 0.0029674 k( 168) = ( 0.3750000 0.5564539 -0.0821700), wk = 0.0029674 k( 169) = ( 0.3625000 0.5564539 -0.0821700), wk = 0.0029674 k( 170) = ( 0.3500000 0.5564539 -0.0821700), wk = 0.0029674 k( 171) = ( 0.3375000 0.5564539 -0.0821700), wk = 0.0029674 k( 172) = ( 0.3250000 0.5564539 -0.0821700), wk = 0.0029674 k( 173) = ( 0.3125000 0.5564539 -0.0821700), wk = 0.0029674 k( 174) = ( 0.3000000 0.5564539 -0.0821700), wk = 0.0029674 k( 175) = ( 0.2875000 0.5564539 -0.0821700), wk = 0.0029674 k( 176) = ( 0.2750000 0.5564539 -0.0821700), wk = 0.0029674 k( 177) = ( 0.2625000 0.5564539 -0.0821700), wk = 0.0029674 k( 178) = ( 0.2500000 0.5564539 -0.0821700), wk = 0.0029674 k( 179) = ( 0.2375000 0.5564539 -0.0821700), wk = 0.0029674 k( 180) = ( 0.2250000 0.5564539 -0.0821700), wk = 0.0029674 k( 181) = ( 0.2125000 0.5564539 -0.0821700), wk = 0.0029674 k( 182) = ( 0.2000000 0.5564539 -0.0821700), wk = 0.0029674 k( 183) = ( 0.1875000 0.5564539 -0.0821700), wk = 0.0029674 k( 184) = ( 0.1750000 0.5564539 -0.0821700), wk = 0.0029674 k( 185) = ( 0.1625000 0.5564539 -0.0821700), wk = 0.0029674 k( 186) = ( 0.1500000 0.5564539 -0.0821700), wk = 0.0029674 k( 187) = ( 0.1375000 0.5564539 -0.0821700), wk = 0.0029674 k( 188) = ( 0.1250000 0.5564539 -0.0821700), wk = 0.0029674 k( 189) = ( 0.1125000 0.5564539 -0.0821700), wk = 0.0029674 k( 190) = ( 0.1000000 0.5564539 -0.0821700), wk = 0.0029674 k( 191) = ( 0.0875000 0.5564539 -0.0821700), wk = 0.0029674 k( 192) = ( 0.0750000 0.5564539 -0.0821700), wk = 0.0029674 k( 193) = ( 0.0625000 0.5564539 -0.0821700), wk = 0.0029674 k( 194) = ( 0.0500000 0.5564539 -0.0821700), wk = 0.0029674 k( 195) = ( 0.0375000 0.5564539 -0.0821700), wk = 0.0029674 k( 196) = ( 0.0250000 0.5564539 -0.0821700), wk = 0.0029674 k( 197) = ( 0.0125000 0.5564539 -0.0821700), wk = 0.0029674 k( 198) = ( 0.0000000 0.5564539 -0.0821700), wk = 0.0029674 k( 199) = ( 0.0000000 0.5564539 -0.0821700), wk = 0.0029674 k( 200) = ( 0.0000000 0.5582875 -0.0697526), wk = 0.0029674 k( 201) = ( 0.0000000 0.5601211 -0.0573353), wk = 0.0029674 k( 202) = ( 0.0000000 0.5619548 -0.0449180), wk = 0.0029674 k( 203) = ( 0.0000000 0.5637884 -0.0325007), wk = 0.0029674 k( 204) = ( 0.0000000 0.5656220 -0.0200834), wk = 0.0029674 k( 205) = ( 0.0000000 0.5674556 -0.0076661), wk = 0.0029674 k( 206) = ( 0.0000000 0.5692893 0.0047513), wk = 0.0029674 k( 207) = ( 0.0000000 0.5711229 0.0171686), wk = 0.0029674 k( 208) = ( 0.0000000 0.5729565 0.0295859), wk = 0.0029674 k( 209) = ( 0.0000000 0.5747902 0.0420032), wk = 0.0029674 k( 210) = ( 0.0000000 0.5766238 0.0544205), wk = 0.0029674 k( 211) = ( 0.0000000 0.5784574 0.0668378), wk = 0.0029674 k( 212) = ( 0.0000000 0.5802910 0.0792551), wk = 0.0029674 k( 213) = ( 0.0000000 0.5821247 0.0916725), wk = 0.0029674 k( 214) = ( 0.0000000 0.5839583 0.1040898), wk = 0.0029674 k( 215) = ( 0.0000000 0.5857919 0.1165071), wk = 0.0029674 k( 216) = ( 0.0000000 0.5876256 0.1289244), wk = 0.0029674 k( 217) = ( 0.0000000 0.5894592 0.1413417), wk = 0.0029674 k( 218) = ( 0.0000000 0.5912928 0.1537590), wk = 0.0029674 k( 219) = ( 0.0000000 0.5931265 0.1661764), wk = 0.0029674 k( 220) = ( 0.0000000 0.5949601 0.1785937), wk = 0.0029674 k( 221) = ( 0.0000000 0.5967937 0.1910110), wk = 0.0029674 k( 222) = ( 0.0000000 0.5986273 0.2034283), wk = 0.0029674 k( 223) = ( 0.0000000 0.6004610 0.2158456), wk = 0.0029674 k( 224) = ( 0.5000000 0.5124468 0.3801855), wk = 0.0029674 k( 225) = ( 0.5000000 0.4999481 0.3801855), wk = 0.0029674 k( 226) = ( 0.5000000 0.4874493 0.3801855), wk = 0.0029674 k( 227) = ( 0.5000000 0.4749506 0.3801855), wk = 0.0029674 k( 228) = ( 0.5000000 0.4624519 0.3801855), wk = 0.0029674 k( 229) = ( 0.5000000 0.4499532 0.3801855), wk = 0.0029674 k( 230) = ( 0.5000000 0.4374545 0.3801855), wk = 0.0029674 k( 231) = ( 0.5000000 0.4249558 0.3801855), wk = 0.0029674 k( 232) = ( 0.5000000 0.4124571 0.3801855), wk = 0.0029674 k( 233) = ( 0.5000000 0.3999584 0.3801855), wk = 0.0029674 k( 234) = ( 0.5000000 0.3874597 0.3801855), wk = 0.0029674 k( 235) = ( 0.5000000 0.3749610 0.3801855), wk = 0.0029674 k( 236) = ( 0.5000000 0.3624623 0.3801855), wk = 0.0029674 k( 237) = ( 0.5000000 0.3499636 0.3801855), wk = 0.0029674 k( 238) = ( 0.5000000 0.3374649 0.3801855), wk = 0.0029674 k( 239) = ( 0.5000000 0.3249662 0.3801855), wk = 0.0029674 k( 240) = ( 0.5000000 0.3124675 0.3801855), wk = 0.0029674 k( 241) = ( 0.5000000 0.2999688 0.3801855), wk = 0.0029674 k( 242) = ( 0.5000000 0.2874701 0.3801855), wk = 0.0029674 k( 243) = ( 0.5000000 0.2749714 0.3801855), wk = 0.0029674 k( 244) = ( 0.5000000 0.2624727 0.3801855), wk = 0.0029674 k( 245) = ( 0.5000000 0.2499740 0.3801855), wk = 0.0029674 k( 246) = ( 0.5000000 0.2374753 0.3801855), wk = 0.0029674 k( 247) = ( 0.5000000 0.2249766 0.3801855), wk = 0.0029674 k( 248) = ( 0.5000000 0.2124779 0.3801855), wk = 0.0029674 k( 249) = ( 0.5000000 0.1999792 0.3801855), wk = 0.0029674 k( 250) = ( 0.5000000 0.1874805 0.3801855), wk = 0.0029674 k( 251) = ( 0.5000000 0.1749818 0.3801855), wk = 0.0029674 k( 252) = ( 0.5000000 0.1624831 0.3801855), wk = 0.0029674 k( 253) = ( 0.5000000 0.1499844 0.3801855), wk = 0.0029674 k( 254) = ( 0.5000000 0.1374857 0.3801855), wk = 0.0029674 k( 255) = ( 0.5000000 0.1249870 0.3801855), wk = 0.0029674 k( 256) = ( 0.5000000 0.1124883 0.3801855), wk = 0.0029674 k( 257) = ( 0.5000000 0.0999896 0.3801855), wk = 0.0029674 k( 258) = ( 0.5000000 0.0874909 0.3801855), wk = 0.0029674 k( 259) = ( 0.5000000 0.0749922 0.3801855), wk = 0.0029674 k( 260) = ( 0.5000000 0.0624935 0.3801855), wk = 0.0029674 k( 261) = ( 0.5000000 0.0499948 0.3801855), wk = 0.0029674 k( 262) = ( 0.5000000 0.0374961 0.3801855), wk = 0.0029674 k( 263) = ( 0.5000000 0.0249974 0.3801855), wk = 0.0029674 k( 264) = ( 0.5000000 0.0124987 0.3801855), wk = 0.0029674 k( 265) = ( 0.5000000 -0.0000000 0.3801855), wk = 0.0029674 k( 266) = ( 0.5000000 -0.0000000 0.3801855), wk = 0.0029674 k( 267) = ( 0.5000000 -0.0000000 0.3675127), wk = 0.0029674 k( 268) = ( 0.5000000 -0.0000000 0.3548398), wk = 0.0029674 k( 269) = ( 0.5000000 -0.0000000 0.3421670), wk = 0.0029674 k( 270) = ( 0.5000000 -0.0000000 0.3294941), wk = 0.0029674 k( 271) = ( 0.5000000 -0.0000000 0.3168213), wk = 0.0029674 k( 272) = ( 0.5000000 -0.0000000 0.3041484), wk = 0.0029674 k( 273) = ( 0.5000000 -0.0000000 0.2914756), wk = 0.0029674 k( 274) = ( 0.5000000 -0.0000000 0.2788027), wk = 0.0029674 k( 275) = ( 0.5000000 -0.0000000 0.2661299), wk = 0.0029674 k( 276) = ( 0.5000000 -0.0000000 0.2534570), wk = 0.0029674 k( 277) = ( 0.5000000 -0.0000000 0.2407842), wk = 0.0029674 k( 278) = ( 0.5000000 -0.0000000 0.2281113), wk = 0.0029674 k( 279) = ( 0.5000000 -0.0000000 0.2154385), wk = 0.0029674 k( 280) = ( 0.5000000 -0.0000000 0.2027656), wk = 0.0029674 k( 281) = ( 0.5000000 -0.0000000 0.1900928), wk = 0.0029674 k( 282) = ( 0.5000000 -0.0000000 0.1774199), wk = 0.0029674 k( 283) = ( 0.5000000 -0.0000000 0.1647471), wk = 0.0029674 k( 284) = ( 0.5000000 -0.0000000 0.1520742), wk = 0.0029674 k( 285) = ( 0.5000000 -0.0000000 0.1394014), wk = 0.0029674 k( 286) = ( 0.5000000 -0.0000000 0.1267285), wk = 0.0029674 k( 287) = ( 0.5000000 -0.0000000 0.1140557), wk = 0.0029674 k( 288) = ( 0.5000000 -0.0000000 0.1013828), wk = 0.0029674 k( 289) = ( 0.5000000 -0.0000000 0.0887100), wk = 0.0029674 k( 290) = ( 0.5000000 -0.0000000 0.0760371), wk = 0.0029674 k( 291) = ( 0.5000000 -0.0000000 0.0633643), wk = 0.0029674 k( 292) = ( 0.5000000 -0.0000000 0.0506914), wk = 0.0029674 k( 293) = ( 0.5000000 -0.0000000 0.0380186), wk = 0.0029674 k( 294) = ( 0.5000000 -0.0000000 0.0253457), wk = 0.0029674 k( 295) = ( 0.5000000 -0.0000000 0.0126729), wk = 0.0029674 k( 296) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029674 k( 297) = ( 0.0000000 0.0000000 0.3801855), wk = 0.0029674 k( 298) = ( 0.0125000 -0.0000000 0.3801855), wk = 0.0029674 k( 299) = ( 0.0250000 -0.0000000 0.3801855), wk = 0.0029674 k( 300) = ( 0.0375000 -0.0000000 0.3801855), wk = 0.0029674 k( 301) = ( 0.0500000 -0.0000000 0.3801855), wk = 0.0029674 k( 302) = ( 0.0625000 -0.0000000 0.3801855), wk = 0.0029674 k( 303) = ( 0.0750000 -0.0000000 0.3801855), wk = 0.0029674 k( 304) = ( 0.0875000 -0.0000000 0.3801855), wk = 0.0029674 k( 305) = ( 0.1000000 -0.0000000 0.3801855), wk = 0.0029674 k( 306) = ( 0.1125000 -0.0000000 0.3801855), wk = 0.0029674 k( 307) = ( 0.1250000 -0.0000000 0.3801855), wk = 0.0029674 k( 308) = ( 0.1375000 -0.0000000 0.3801855), wk = 0.0029674 k( 309) = ( 0.1500000 -0.0000000 0.3801855), wk = 0.0029674 k( 310) = ( 0.1625000 -0.0000000 0.3801855), wk = 0.0029674 k( 311) = ( 0.1750000 -0.0000000 0.3801855), wk = 0.0029674 k( 312) = ( 0.1875000 -0.0000000 0.3801855), wk = 0.0029674 k( 313) = ( 0.2000000 -0.0000000 0.3801855), wk = 0.0029674 k( 314) = ( 0.2125000 -0.0000000 0.3801855), wk = 0.0029674 k( 315) = ( 0.2250000 -0.0000000 0.3801855), wk = 0.0029674 k( 316) = ( 0.2375000 -0.0000000 0.3801855), wk = 0.0029674 k( 317) = ( 0.2500000 -0.0000000 0.3801855), wk = 0.0029674 k( 318) = ( 0.2625000 -0.0000000 0.3801855), wk = 0.0029674 k( 319) = ( 0.2750000 -0.0000000 0.3801855), wk = 0.0029674 k( 320) = ( 0.2875000 -0.0000000 0.3801855), wk = 0.0029674 k( 321) = ( 0.3000000 -0.0000000 0.3801855), wk = 0.0029674 k( 322) = ( 0.3125000 -0.0000000 0.3801855), wk = 0.0029674 k( 323) = ( 0.3250000 -0.0000000 0.3801855), wk = 0.0029674 k( 324) = ( 0.3375000 -0.0000000 0.3801855), wk = 0.0029674 k( 325) = ( 0.3500000 -0.0000000 0.3801855), wk = 0.0029674 k( 326) = ( 0.3625000 -0.0000000 0.3801855), wk = 0.0029674 k( 327) = ( 0.3750000 -0.0000000 0.3801855), wk = 0.0029674 k( 328) = ( 0.3875000 -0.0000000 0.3801855), wk = 0.0029674 k( 329) = ( 0.4000000 -0.0000000 0.3801855), wk = 0.0029674 k( 330) = ( 0.4125000 -0.0000000 0.3801855), wk = 0.0029674 k( 331) = ( 0.4250000 -0.0000000 0.3801855), wk = 0.0029674 k( 332) = ( 0.4375000 -0.0000000 0.3801855), wk = 0.0029674 k( 333) = ( 0.4500000 -0.0000000 0.3801855), wk = 0.0029674 k( 334) = ( 0.4625000 -0.0000000 0.3801855), wk = 0.0029674 k( 335) = ( 0.4750000 -0.0000000 0.3801855), wk = 0.0029674 k( 336) = ( 0.4875000 -0.0000000 0.3801855), wk = 0.0029674 k( 337) = ( 0.5000000 -0.0000000 0.3801855), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0029674 k( 3) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0029674 k( 4) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0029674 k( 5) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0029674 k( 6) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029674 k( 7) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029674 k( 8) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0029674 k( 9) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0029674 k( 10) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0029674 k( 11) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029674 k( 12) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0029674 k( 13) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029674 k( 14) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0029674 k( 15) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0029674 k( 16) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029674 k( 17) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0029674 k( 18) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0029674 k( 19) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029674 k( 20) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0029674 k( 21) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029674 k( 22) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0029674 k( 23) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0029674 k( 24) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0029674 k( 25) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029674 k( 26) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029674 k( 27) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0029674 k( 28) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0029674 k( 29) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0029674 k( 30) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0029674 k( 31) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 32) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 33) = ( 0.0000000 0.0112307 0.5024273), wk = 0.0029674 k( 34) = ( 0.0000000 0.0224613 0.5048546), wk = 0.0029674 k( 35) = ( 0.0000000 0.0336920 0.5072819), wk = 0.0029674 k( 36) = ( 0.0000000 0.0449227 0.5097092), wk = 0.0029674 k( 37) = ( 0.0000000 0.0561534 0.5121365), wk = 0.0029674 k( 38) = ( 0.0000000 0.0673840 0.5145638), wk = 0.0029674 k( 39) = ( 0.0000000 0.0786147 0.5169911), wk = 0.0029674 k( 40) = ( 0.0000000 0.0898454 0.5194184), wk = 0.0029674 k( 41) = ( 0.0000000 0.1010760 0.5218457), wk = 0.0029674 k( 42) = ( 0.0000000 0.1123067 0.5242730), wk = 0.0029674 k( 43) = ( 0.0000000 0.1235374 0.5267003), wk = 0.0029674 k( 44) = ( 0.0000000 0.1347681 0.5291276), wk = 0.0029674 k( 45) = ( 0.0000000 0.1459987 0.5315549), wk = 0.0029674 k( 46) = ( 0.0000000 0.1572294 0.5339822), wk = 0.0029674 k( 47) = ( 0.0000000 0.1684601 0.5364095), wk = 0.0029674 k( 48) = ( 0.0000000 0.1796908 0.5388368), wk = 0.0029674 k( 49) = ( 0.0000000 0.1909214 0.5412641), wk = 0.0029674 k( 50) = ( 0.0000000 0.2021521 0.5436914), wk = 0.0029674 k( 51) = ( 0.0000000 0.2133828 0.5461187), wk = 0.0029674 k( 52) = ( 0.0000000 0.2246134 0.5485460), wk = 0.0029674 k( 53) = ( 0.0000000 0.2358441 0.5509733), wk = 0.0029674 k( 54) = ( 0.0000000 0.2470748 0.5534006), wk = 0.0029674 k( 55) = ( 0.0000000 0.2583054 0.5558279), wk = 0.0029674 k( 56) = ( 0.0000000 0.2695361 0.5582552), wk = 0.0029674 k( 57) = ( 0.0000000 0.2807668 0.5606825), wk = 0.0029674 k( 58) = ( 0.0000000 0.2919975 0.5631098), wk = 0.0029674 k( 59) = ( 0.0000000 0.3032281 0.5655371), wk = 0.0029674 k( 60) = ( 0.0000000 0.3144588 0.5679644), wk = 0.0029674 k( 61) = ( 0.0000000 0.3256895 0.5703917), wk = 0.0029674 k( 62) = ( 0.0000000 0.3369201 0.5728190), wk = 0.0029674 k( 63) = ( 0.0000000 0.3481508 0.5752463), wk = 0.0029674 k( 64) = ( 0.0000000 0.3593815 0.5776736), wk = 0.0029674 k( 65) = ( 0.0000000 0.3706122 0.5801009), wk = 0.0029674 k( 66) = ( 0.0000000 0.3818428 0.5825281), wk = 0.0029674 k( 67) = ( 0.0000000 0.3930735 0.5849555), wk = 0.0029674 k( 68) = ( 0.0000000 0.4043042 0.5873827), wk = 0.0029674 k( 69) = ( 0.0000000 0.4155349 0.5898100), wk = 0.0029674 k( 70) = ( 0.0000000 0.4267655 0.5922373), wk = 0.0029674 k( 71) = ( 0.0000000 0.4379962 0.5946647), wk = 0.0029674 k( 72) = ( 0.0000000 0.4492269 0.5970919), wk = 0.0029674 k( 73) = ( 0.0000000 0.4604575 0.5995192), wk = 0.0029674 k( 74) = ( 0.0000000 0.4604575 0.5995192), wk = 0.0029674 k( 75) = ( 0.0000000 0.4654004 0.5870793), wk = 0.0029674 k( 76) = ( 0.0000000 0.4703431 0.5746394), wk = 0.0029674 k( 77) = ( 0.0000000 0.4752860 0.5621995), wk = 0.0029674 k( 78) = ( 0.0000000 0.4802288 0.5497596), wk = 0.0029674 k( 79) = ( 0.0000000 0.4851716 0.5373197), wk = 0.0029674 k( 80) = ( 0.0000000 0.4901144 0.5248798), wk = 0.0029674 k( 81) = ( 0.0000000 0.4950572 0.5124399), wk = 0.0029674 k( 82) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029674 k( 83) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029674 k( 84) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0029674 k( 85) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0029674 k( 86) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0029674 k( 87) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0029674 k( 88) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0029674 k( 89) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0029674 k( 90) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0029674 k( 91) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0029674 k( 92) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0029674 k( 93) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0029674 k( 94) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0029674 k( 95) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0029674 k( 96) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0029674 k( 97) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0029674 k( 98) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0029674 k( 99) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0029674 k( 100) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0029674 k( 101) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0029674 k( 102) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0029674 k( 103) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0029674 k( 104) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0029674 k( 105) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0029674 k( 106) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0029674 k( 107) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0029674 k( 108) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0029674 k( 109) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0029674 k( 110) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0029674 k( 111) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0029674 k( 112) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0029674 k( 113) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0029674 k( 114) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0029674 k( 115) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0029674 k( 116) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0029674 k( 117) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0029674 k( 118) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0029674 k( 119) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0029674 k( 120) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0029674 k( 121) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0029674 k( 122) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0029674 k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 124) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 125) = ( 0.5000000 0.5049428 0.4875601), wk = 0.0029674 k( 126) = ( 0.5000000 0.5098856 0.4751202), wk = 0.0029674 k( 127) = ( 0.5000000 0.5148284 0.4626803), wk = 0.0029674 k( 128) = ( 0.5000000 0.5197712 0.4502404), wk = 0.0029674 k( 129) = ( 0.5000000 0.5247140 0.4378005), wk = 0.0029674 k( 130) = ( 0.5000000 0.5296568 0.4253606), wk = 0.0029674 k( 131) = ( 0.5000000 0.5345996 0.4129207), wk = 0.0029674 k( 132) = ( 0.5000000 0.5395425 0.4004808), wk = 0.0029674 k( 133) = ( 0.5000000 0.5395425 0.4004808), wk = 0.0029674 k( 134) = ( 0.5000000 0.5378949 0.3837941), wk = 0.0029674 k( 135) = ( 0.5000000 0.5362473 0.3671074), wk = 0.0029674 k( 136) = ( 0.5000000 0.5345996 0.3504207), wk = 0.0029674 k( 137) = ( 0.5000000 0.5329521 0.3337340), wk = 0.0029674 k( 138) = ( 0.5000000 0.5313045 0.3170473), wk = 0.0029674 k( 139) = ( 0.5000000 0.5296568 0.3003606), wk = 0.0029674 k( 140) = ( 0.5000000 0.5280092 0.2836739), wk = 0.0029674 k( 141) = ( 0.5000000 0.5263616 0.2669872), wk = 0.0029674 k( 142) = ( 0.5000000 0.5247140 0.2503005), wk = 0.0029674 k( 143) = ( 0.5000000 0.5230664 0.2336138), wk = 0.0029674 k( 144) = ( 0.5000000 0.5214188 0.2169271), wk = 0.0029674 k( 145) = ( 0.5000000 0.5197712 0.2002404), wk = 0.0029674 k( 146) = ( 0.5000000 0.5181236 0.1835537), wk = 0.0029674 k( 147) = ( 0.5000000 0.5164760 0.1668670), wk = 0.0029674 k( 148) = ( 0.5000000 0.5148284 0.1501803), wk = 0.0029674 k( 149) = ( 0.5000000 0.5131808 0.1334936), wk = 0.0029674 k( 150) = ( 0.5000000 0.5115332 0.1168069), wk = 0.0029674 k( 151) = ( 0.5000000 0.5098856 0.1001202), wk = 0.0029674 k( 152) = ( 0.5000000 0.5082380 0.0834335), wk = 0.0029674 k( 153) = ( 0.5000000 0.5065904 0.0667468), wk = 0.0029674 k( 154) = ( 0.5000000 0.5049428 0.0500601), wk = 0.0029674 k( 155) = ( 0.5000000 0.5032952 0.0333734), wk = 0.0029674 k( 156) = ( 0.5000000 0.5016476 0.0166867), wk = 0.0029674 k( 157) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029674 k( 158) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029674 k( 159) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0029674 k( 160) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0029674 k( 161) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0029674 k( 162) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0029674 k( 163) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0029674 k( 164) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0029674 k( 165) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0029674 k( 166) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0029674 k( 167) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0029674 k( 168) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0029674 k( 169) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0029674 k( 170) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0029674 k( 171) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0029674 k( 172) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0029674 k( 173) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0029674 k( 174) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0029674 k( 175) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0029674 k( 176) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0029674 k( 177) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0029674 k( 178) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0029674 k( 179) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0029674 k( 180) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0029674 k( 181) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0029674 k( 182) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0029674 k( 183) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0029674 k( 184) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0029674 k( 185) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0029674 k( 186) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0029674 k( 187) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0029674 k( 188) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0029674 k( 189) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0029674 k( 190) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0029674 k( 191) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0029674 k( 192) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0029674 k( 193) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0029674 k( 194) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0029674 k( 195) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0029674 k( 196) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0029674 k( 197) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0029674 k( 198) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029674 k( 199) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029674 k( 200) = ( 0.0000000 0.5016476 0.0166867), wk = 0.0029674 k( 201) = ( 0.0000000 0.5032952 0.0333734), wk = 0.0029674 k( 202) = ( 0.0000000 0.5049428 0.0500601), wk = 0.0029674 k( 203) = ( 0.0000000 0.5065904 0.0667468), wk = 0.0029674 k( 204) = ( 0.0000000 0.5082380 0.0834335), wk = 0.0029674 k( 205) = ( 0.0000000 0.5098856 0.1001202), wk = 0.0029674 k( 206) = ( 0.0000000 0.5115332 0.1168069), wk = 0.0029674 k( 207) = ( 0.0000000 0.5131808 0.1334936), wk = 0.0029674 k( 208) = ( 0.0000000 0.5148284 0.1501803), wk = 0.0029674 k( 209) = ( 0.0000000 0.5164760 0.1668670), wk = 0.0029674 k( 210) = ( 0.0000000 0.5181236 0.1835537), wk = 0.0029674 k( 211) = ( 0.0000000 0.5197712 0.2002404), wk = 0.0029674 k( 212) = ( 0.0000000 0.5214188 0.2169271), wk = 0.0029674 k( 213) = ( 0.0000000 0.5230664 0.2336138), wk = 0.0029674 k( 214) = ( 0.0000000 0.5247140 0.2503005), wk = 0.0029674 k( 215) = ( 0.0000000 0.5263616 0.2669872), wk = 0.0029674 k( 216) = ( 0.0000000 0.5280092 0.2836739), wk = 0.0029674 k( 217) = ( 0.0000000 0.5296568 0.3003606), wk = 0.0029674 k( 218) = ( 0.0000000 0.5313045 0.3170473), wk = 0.0029674 k( 219) = ( 0.0000000 0.5329521 0.3337340), wk = 0.0029674 k( 220) = ( 0.0000000 0.5345996 0.3504207), wk = 0.0029674 k( 221) = ( 0.0000000 0.5362473 0.3671074), wk = 0.0029674 k( 222) = ( 0.0000000 0.5378949 0.3837941), wk = 0.0029674 k( 223) = ( 0.0000000 0.5395425 0.4004808), wk = 0.0029674 k( 224) = ( 0.5000000 0.4604575 0.5995192), wk = 0.0029674 k( 225) = ( 0.5000000 0.4492269 0.5970919), wk = 0.0029674 k( 226) = ( 0.5000000 0.4379962 0.5946647), wk = 0.0029674 k( 227) = ( 0.5000000 0.4267655 0.5922373), wk = 0.0029674 k( 228) = ( 0.5000000 0.4155349 0.5898100), wk = 0.0029674 k( 229) = ( 0.5000000 0.4043042 0.5873827), wk = 0.0029674 k( 230) = ( 0.5000000 0.3930735 0.5849555), wk = 0.0029674 k( 231) = ( 0.5000000 0.3818428 0.5825281), wk = 0.0029674 k( 232) = ( 0.5000000 0.3706122 0.5801009), wk = 0.0029674 k( 233) = ( 0.5000000 0.3593815 0.5776736), wk = 0.0029674 k( 234) = ( 0.5000000 0.3481508 0.5752463), wk = 0.0029674 k( 235) = ( 0.5000000 0.3369201 0.5728190), wk = 0.0029674 k( 236) = ( 0.5000000 0.3256895 0.5703917), wk = 0.0029674 k( 237) = ( 0.5000000 0.3144588 0.5679644), wk = 0.0029674 k( 238) = ( 0.5000000 0.3032281 0.5655371), wk = 0.0029674 k( 239) = ( 0.5000000 0.2919975 0.5631098), wk = 0.0029674 k( 240) = ( 0.5000000 0.2807668 0.5606825), wk = 0.0029674 k( 241) = ( 0.5000000 0.2695361 0.5582552), wk = 0.0029674 k( 242) = ( 0.5000000 0.2583055 0.5558279), wk = 0.0029674 k( 243) = ( 0.5000000 0.2470748 0.5534006), wk = 0.0029674 k( 244) = ( 0.5000000 0.2358441 0.5509733), wk = 0.0029674 k( 245) = ( 0.5000000 0.2246134 0.5485460), wk = 0.0029674 k( 246) = ( 0.5000000 0.2133828 0.5461187), wk = 0.0029674 k( 247) = ( 0.5000000 0.2021521 0.5436914), wk = 0.0029674 k( 248) = ( 0.5000000 0.1909214 0.5412641), wk = 0.0029674 k( 249) = ( 0.5000000 0.1796908 0.5388368), wk = 0.0029674 k( 250) = ( 0.5000000 0.1684601 0.5364095), wk = 0.0029674 k( 251) = ( 0.5000000 0.1572294 0.5339822), wk = 0.0029674 k( 252) = ( 0.5000000 0.1459987 0.5315549), wk = 0.0029674 k( 253) = ( 0.5000000 0.1347681 0.5291276), wk = 0.0029674 k( 254) = ( 0.5000000 0.1235374 0.5267003), wk = 0.0029674 k( 255) = ( 0.5000000 0.1123067 0.5242730), wk = 0.0029674 k( 256) = ( 0.5000000 0.1010760 0.5218457), wk = 0.0029674 k( 257) = ( 0.5000000 0.0898454 0.5194184), wk = 0.0029674 k( 258) = ( 0.5000000 0.0786147 0.5169911), wk = 0.0029674 k( 259) = ( 0.5000000 0.0673840 0.5145638), wk = 0.0029674 k( 260) = ( 0.5000000 0.0561534 0.5121365), wk = 0.0029674 k( 261) = ( 0.5000000 0.0449227 0.5097092), wk = 0.0029674 k( 262) = ( 0.5000000 0.0336920 0.5072819), wk = 0.0029674 k( 263) = ( 0.5000000 0.0224613 0.5048546), wk = 0.0029674 k( 264) = ( 0.5000000 0.0112307 0.5024273), wk = 0.0029674 k( 265) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 266) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 267) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0029674 k( 268) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0029674 k( 269) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0029674 k( 270) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0029674 k( 271) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0029674 k( 272) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0029674 k( 273) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0029674 k( 274) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0029674 k( 275) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0029674 k( 276) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0029674 k( 277) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0029674 k( 278) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0029674 k( 279) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0029674 k( 280) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0029674 k( 281) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0029674 k( 282) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0029674 k( 283) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0029674 k( 284) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0029674 k( 285) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0029674 k( 286) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0029674 k( 287) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0029674 k( 288) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0029674 k( 289) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0029674 k( 290) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0029674 k( 291) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0029674 k( 292) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0029674 k( 293) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0029674 k( 294) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0029674 k( 295) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0029674 k( 296) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029674 k( 297) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 298) = ( 0.0125000 0.0000000 0.5000000), wk = 0.0029674 k( 299) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0029674 k( 300) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0029674 k( 301) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0029674 k( 302) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0029674 k( 303) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0029674 k( 304) = ( 0.0875000 -0.0000000 0.5000000), wk = 0.0029674 k( 305) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0029674 k( 306) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0029674 k( 307) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0029674 k( 308) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0029674 k( 309) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0029674 k( 310) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0029674 k( 311) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0029674 k( 312) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0029674 k( 313) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0029674 k( 314) = ( 0.2125000 0.0000000 0.5000000), wk = 0.0029674 k( 315) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0029674 k( 316) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0029674 k( 317) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0029674 k( 318) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0029674 k( 319) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0029674 k( 320) = ( 0.2875000 0.0000000 0.5000000), wk = 0.0029674 k( 321) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0029674 k( 322) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0029674 k( 323) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0029674 k( 324) = ( 0.3375000 0.0000000 0.5000000), wk = 0.0029674 k( 325) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0029674 k( 326) = ( 0.3625000 0.0000000 0.5000000), wk = 0.0029674 k( 327) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0029674 k( 328) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0029674 k( 329) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0029674 k( 330) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0029674 k( 331) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0029674 k( 332) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0029674 k( 333) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0029674 k( 334) = ( 0.4625000 0.0000000 0.5000000), wk = 0.0029674 k( 335) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0029674 k( 336) = ( 0.4875000 0.0000000 0.5000000), wk = 0.0029674 k( 337) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 Dense grid: 28685 G-vectors FFT dimensions: ( 36, 36, 48) Smooth grid: 21385 G-vectors FFT dimensions: ( 36, 30, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 116, 44) NL pseudopotentials 0.12 Mb ( 58, 136) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 598) G-vector shells 0.00 Mb ( 551) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.31 Mb ( 116, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./AgCl.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.5 secs Computing kpt #: 2 total cpu time spent up to now is 43.7 secs Computing kpt #: 3 total cpu time spent up to now is 44.9 secs Computing kpt #: 4 total cpu time spent up to now is 45.9 secs Computing kpt #: 5 total cpu time spent up to now is 46.8 secs Computing kpt #: 6 total cpu time spent up to now is 47.8 secs Computing kpt #: 7 total cpu time spent up to now is 48.8 secs Computing kpt #: 8 total cpu time spent up to now is 49.8 secs Computing kpt #: 9 total cpu time spent up to now is 50.9 secs Computing kpt #: 10 total cpu time spent up to now is 51.9 secs Computing kpt #: 11 total cpu time spent up to now is 52.8 secs Computing kpt #: 12 total cpu time spent up to now is 53.8 secs Computing kpt #: 13 total cpu time spent up to now is 54.8 secs Computing kpt #: 14 total cpu time spent up to now is 55.9 secs Computing kpt #: 15 total cpu time spent up to now is 57.3 secs Computing kpt #: 16 total cpu time spent up to now is 58.3 secs Computing kpt #: 17 total cpu time spent up to now is 59.2 secs Computing kpt #: 18 total cpu time spent up to now is 60.2 secs Computing kpt #: 19 total cpu time spent up to now is 61.2 secs Computing kpt #: 20 total cpu time spent up to now is 62.3 secs Computing kpt #: 21 total cpu time spent up to now is 63.4 secs Computing kpt #: 22 total cpu time spent up to now is 64.5 secs Computing kpt #: 23 total cpu time spent up to now is 65.8 secs Computing kpt #: 24 total cpu time spent up to now is 67.2 secs Computing kpt #: 25 total cpu time spent up to now is 68.5 secs Computing kpt #: 26 total cpu time spent up to now is 69.5 secs Computing kpt #: 27 total cpu time spent up to now is 70.6 secs Computing kpt #: 28 total cpu time spent up to now is 71.8 secs Computing kpt #: 29 total cpu time spent up to now is 73.0 secs Computing kpt #: 30 total cpu time spent up to now is 74.3 secs Computing kpt #: 31 total cpu time spent up to now is 75.3 secs Computing kpt #: 32 total cpu time spent up to now is 76.4 secs Computing kpt #: 33 total cpu time spent up to now is 77.9 secs Computing kpt #: 34 total cpu time spent up to now is 79.4 secs Computing kpt #: 35 total cpu time spent up to now is 80.4 secs Computing kpt #: 36 total cpu time spent up to now is 81.4 secs Computing kpt #: 37 total cpu time spent up to now is 82.5 secs Computing kpt #: 38 total cpu time spent up to now is 83.7 secs Computing kpt #: 39 total cpu time spent up to now is 84.8 secs Computing kpt #: 40 total cpu time spent up to now is 85.9 secs Computing kpt #: 41 total cpu time spent up to now is 87.1 secs Computing kpt #: 42 total cpu time spent up to now is 88.4 secs Computing kpt #: 43 total cpu time spent up to now is 89.7 secs Computing kpt #: 44 total cpu time spent up to now is 91.2 secs Computing kpt #: 45 total cpu time spent up to now is 92.7 secs Computing kpt #: 46 total cpu time spent up to now is 94.2 secs Computing kpt #: 47 total cpu time spent up to now is 95.5 secs Computing kpt #: 48 total cpu time spent up to now is 97.4 secs Computing kpt #: 49 total cpu time spent up to now is 99.7 secs Computing kpt #: 50 total cpu time spent up to now is 102.0 secs Computing kpt #: 51 total cpu time spent up to now is 105.2 secs Computing kpt #: 52 total cpu time spent up to now is 106.5 secs Computing kpt #: 53 total cpu time spent up to now is 107.9 secs Computing kpt #: 54 total cpu time spent up to now is 109.5 secs Computing kpt #: 55 total cpu time spent up to now is 111.1 secs Computing kpt #: 56 total cpu time spent up to now is 112.6 secs Computing kpt #: 57 total cpu time spent up to now is 113.8 secs Computing kpt #: 58 total cpu time spent up to now is 115.2 secs Computing kpt #: 59 total cpu time spent up to now is 116.1 secs Computing kpt #: 60 total cpu time spent up to now is 117.1 secs Computing kpt #: 61 total cpu time spent up to now is 118.2 secs Computing kpt #: 62 total cpu time spent up to now is 119.2 secs Computing kpt #: 63 total cpu time spent up to now is 120.1 secs Computing kpt #: 64 total cpu time spent up to now is 121.1 secs Computing kpt #: 65 total cpu time spent up to now is 122.1 secs Computing kpt #: 66 total cpu time spent up to now is 123.1 secs Computing kpt #: 67 total cpu time spent up to now is 124.2 secs Computing kpt #: 68 total cpu time spent up to now is 125.2 secs Computing kpt #: 69 total cpu time spent up to now is 126.3 secs Computing kpt #: 70 total cpu time spent up to now is 127.3 secs Computing kpt #: 71 total cpu time spent up to now is 128.3 secs Computing kpt #: 72 total cpu time spent up to now is 129.2 secs Computing kpt #: 73 total cpu time spent up to now is 130.2 secs Computing kpt #: 74 total cpu time spent up to now is 131.2 secs Computing kpt #: 75 total cpu time spent up to now is 132.2 secs Computing kpt #: 76 total cpu time spent up to now is 133.3 secs Computing kpt #: 77 total cpu time spent up to now is 134.3 secs Computing kpt #: 78 total cpu time spent up to now is 135.4 secs Computing kpt #: 79 total cpu time spent up to now is 136.6 secs Computing kpt #: 80 total cpu time spent up to now is 138.0 secs Computing kpt #: 81 total cpu time spent up to now is 140.1 secs Computing kpt #: 82 total cpu time spent up to now is 141.1 secs Computing kpt #: 83 total cpu time spent up to now is 142.1 secs Computing kpt #: 84 total cpu time spent up to now is 143.1 secs Computing kpt #: 85 total cpu time spent up to now is 144.2 secs Computing kpt #: 86 total cpu time spent up to now is 145.2 secs Computing kpt #: 87 total cpu time spent up to now is 146.3 secs Computing kpt #: 88 total cpu time spent up to now is 147.3 secs Computing kpt #: 89 total cpu time spent up to now is 148.2 secs Computing kpt #: 90 total cpu time spent up to now is 149.1 secs Computing kpt #: 91 total cpu time spent up to now is 150.1 secs Computing kpt #: 92 total cpu time spent up to now is 151.1 secs Computing kpt #: 93 total cpu time spent up to now is 152.0 secs Computing kpt #: 94 total cpu time spent up to now is 152.9 secs Computing kpt #: 95 total cpu time spent up to now is 154.0 secs Computing kpt #: 96 total cpu time spent up to now is 154.9 secs Computing kpt #: 97 total cpu time spent up to now is 155.9 secs Computing kpt #: 98 total cpu time spent up to now is 156.9 secs Computing kpt #: 99 total cpu time spent up to now is 157.9 secs Computing kpt #: 100 total cpu time spent up to now is 158.8 secs Computing kpt #: 101 total cpu time spent up to now is 159.8 secs Computing kpt #: 102 total cpu time spent up to now is 160.7 secs Computing kpt #: 103 total cpu time spent up to now is 161.7 secs Computing kpt #: 104 total cpu time spent up to now is 162.6 secs Computing kpt #: 105 total cpu time spent up to now is 163.6 secs Computing kpt #: 106 total cpu time spent up to now is 164.6 secs Computing kpt #: 107 total cpu time spent up to now is 165.5 secs Computing kpt #: 108 total cpu time spent up to now is 166.4 secs Computing kpt #: 109 total cpu time spent up to now is 167.3 secs Computing kpt #: 110 total cpu time spent up to now is 168.3 secs Computing kpt #: 111 total cpu time spent up to now is 170.2 secs Computing kpt #: 112 total cpu time spent up to now is 172.0 secs Computing kpt #: 113 total cpu time spent up to now is 173.6 secs Computing kpt #: 114 total cpu time spent up to now is 176.0 secs Computing kpt #: 115 total cpu time spent up to now is 179.3 secs Computing kpt #: 116 total cpu time spent up to now is 180.6 secs Computing kpt #: 117 total cpu time spent up to now is 181.8 secs Computing kpt #: 118 total cpu time spent up to now is 182.8 secs Computing kpt #: 119 total cpu time spent up to now is 183.8 secs Computing kpt #: 120 total cpu time spent up to now is 184.8 secs Computing kpt #: 121 total cpu time spent up to now is 185.8 secs Computing kpt #: 122 total cpu time spent up to now is 186.8 secs Computing kpt #: 123 total cpu time spent up to now is 187.8 secs Computing kpt #: 124 total cpu time spent up to now is 188.8 secs Computing kpt #: 125 total cpu time spent up to now is 189.8 secs Computing kpt #: 126 total cpu time spent up to now is 190.8 secs Computing kpt #: 127 total cpu time spent up to now is 191.8 secs Computing kpt #: 128 total cpu time spent up to now is 192.8 secs Computing kpt #: 129 total cpu time spent up to now is 193.7 secs Computing kpt #: 130 total cpu time spent up to now is 194.6 secs Computing kpt #: 131 total cpu time spent up to now is 195.5 secs Computing kpt #: 132 total cpu time spent up to now is 196.5 secs Computing kpt #: 133 total cpu time spent up to now is 197.4 secs Computing kpt #: 134 total cpu time spent up to now is 198.3 secs Computing kpt #: 135 total cpu time spent up to now is 199.2 secs Computing kpt #: 136 total cpu time spent up to now is 200.2 secs Computing kpt #: 137 total cpu time spent up to now is 201.1 secs Computing kpt #: 138 total cpu time spent up to now is 202.0 secs Computing kpt #: 139 total cpu time spent up to now is 202.9 secs Computing kpt #: 140 total cpu time spent up to now is 203.8 secs Computing kpt #: 141 total cpu time spent up to now is 205.4 secs Computing kpt #: 142 total cpu time spent up to now is 206.6 secs Computing kpt #: 143 total cpu time spent up to now is 208.9 secs Computing kpt #: 144 total cpu time spent up to now is 209.8 secs Computing kpt #: 145 total cpu time spent up to now is 210.7 secs Computing kpt #: 146 total cpu time spent up to now is 211.6 secs Computing kpt #: 147 total cpu time spent up to now is 213.6 secs Computing kpt #: 148 total cpu time spent up to now is 216.5 secs Computing kpt #: 149 total cpu time spent up to now is 218.6 secs Computing kpt #: 150 total cpu time spent up to now is 220.3 secs Computing kpt #: 151 total cpu time spent up to now is 221.2 secs Computing kpt #: 152 total cpu time spent up to now is 223.0 secs Computing kpt #: 153 total cpu time spent up to now is 224.4 secs Computing kpt #: 154 total cpu time spent up to now is 225.3 secs Computing kpt #: 155 total cpu time spent up to now is 226.2 secs Computing kpt #: 156 total cpu time spent up to now is 227.1 secs Computing kpt #: 157 total cpu time spent up to now is 228.1 secs Computing kpt #: 158 total cpu time spent up to now is 229.0 secs Computing kpt #: 159 total cpu time spent up to now is 229.9 secs Computing kpt #: 160 total cpu time spent up to now is 230.8 secs Computing kpt #: 161 total cpu time spent up to now is 231.7 secs Computing kpt #: 162 total cpu time spent up to now is 232.6 secs Computing kpt #: 163 total cpu time spent up to now is 233.5 secs Computing kpt #: 164 total cpu time spent up to now is 234.4 secs Computing kpt #: 165 total cpu time spent up to now is 235.3 secs Computing kpt #: 166 total cpu time spent up to now is 236.2 secs Computing kpt #: 167 total cpu time spent up to now is 237.2 secs Computing kpt #: 168 total cpu time spent up to now is 238.1 secs Computing kpt #: 169 total cpu time spent up to now is 239.0 secs Computing kpt #: 170 total cpu time spent up to now is 240.1 secs Computing kpt #: 171 total cpu time spent up to now is 241.1 secs Computing kpt #: 172 total cpu time spent up to now is 242.2 secs Computing kpt #: 173 total cpu time spent up to now is 243.2 secs Computing kpt #: 174 total cpu time spent up to now is 244.1 secs Computing kpt #: 175 total cpu time spent up to now is 245.1 secs Computing kpt #: 176 total cpu time spent up to now is 246.4 secs Computing kpt #: 177 total cpu time spent up to now is 247.7 secs Computing kpt #: 178 total cpu time spent up to now is 249.7 secs Computing kpt #: 179 total cpu time spent up to now is 252.1 secs Computing kpt #: 180 total cpu time spent up to now is 253.1 secs Computing kpt #: 181 total cpu time spent up to now is 254.2 secs Computing kpt #: 182 total cpu time spent up to now is 255.8 secs Computing kpt #: 183 total cpu time spent up to now is 256.9 secs Computing kpt #: 184 total cpu time spent up to now is 257.8 secs Computing kpt #: 185 total cpu time spent up to now is 258.7 secs Computing kpt #: 186 total cpu time spent up to now is 262.3 secs Computing kpt #: 187 total cpu time spent up to now is 263.2 secs Computing kpt #: 188 total cpu time spent up to now is 265.7 secs Computing kpt #: 189 total cpu time spent up to now is 266.9 secs Computing kpt #: 190 total cpu time spent up to now is 268.0 secs Computing kpt #: 191 total cpu time spent up to now is 268.8 secs Computing kpt #: 192 total cpu time spent up to now is 269.8 secs Computing kpt #: 193 total cpu time spent up to now is 270.8 secs Computing kpt #: 194 total cpu time spent up to now is 271.7 secs Computing kpt #: 195 total cpu time spent up to now is 272.7 secs Computing kpt #: 196 total cpu time spent up to now is 273.7 secs Computing kpt #: 197 total cpu time spent up to now is 274.6 secs Computing kpt #: 198 total cpu time spent up to now is 275.5 secs Computing kpt #: 199 total cpu time spent up to now is 276.5 secs Computing kpt #: 200 total cpu time spent up to now is 277.5 secs Computing kpt #: 201 total cpu time spent up to now is 278.4 secs Computing kpt #: 202 total cpu time spent up to now is 279.4 secs Computing kpt #: 203 total cpu time spent up to now is 280.3 secs Computing kpt #: 204 total cpu time spent up to now is 281.3 secs Computing kpt #: 205 total cpu time spent up to now is 282.2 secs Computing kpt #: 206 total cpu time spent up to now is 283.3 secs Computing kpt #: 207 total cpu time spent up to now is 284.3 secs Computing kpt #: 208 total cpu time spent up to now is 285.3 secs Computing kpt #: 209 total cpu time spent up to now is 286.3 secs Computing kpt #: 210 total cpu time spent up to now is 287.4 secs Computing kpt #: 211 total cpu time spent up to now is 288.6 secs Computing kpt #: 212 total cpu time spent up to now is 290.6 secs Computing kpt #: 213 total cpu time spent up to now is 292.1 secs Computing kpt #: 214 total cpu time spent up to now is 295.1 secs Computing kpt #: 215 total cpu time spent up to now is 296.2 secs Computing kpt #: 216 total cpu time spent up to now is 297.2 secs Computing kpt #: 217 total cpu time spent up to now is 298.2 secs Computing kpt #: 218 total cpu time spent up to now is 299.2 secs Computing kpt #: 219 total cpu time spent up to now is 300.7 secs Computing kpt #: 220 total cpu time spent up to now is 303.4 secs Computing kpt #: 221 total cpu time spent up to now is 305.8 secs Computing kpt #: 222 total cpu time spent up to now is 308.8 secs Computing kpt #: 223 total cpu time spent up to now is 309.9 secs Computing kpt #: 224 total cpu time spent up to now is 310.9 secs Computing kpt #: 225 total cpu time spent up to now is 311.9 secs Computing kpt #: 226 total cpu time spent up to now is 312.8 secs Computing kpt #: 227 total cpu time spent up to now is 313.8 secs Computing kpt #: 228 total cpu time spent up to now is 314.7 secs Computing kpt #: 229 total cpu time spent up to now is 315.7 secs Computing kpt #: 230 total cpu time spent up to now is 316.7 secs Computing kpt #: 231 total cpu time spent up to now is 317.6 secs Computing kpt #: 232 total cpu time spent up to now is 318.6 secs Computing kpt #: 233 total cpu time spent up to now is 319.6 secs Computing kpt #: 234 total cpu time spent up to now is 320.5 secs Computing kpt #: 235 total cpu time spent up to now is 321.5 secs Computing kpt #: 236 total cpu time spent up to now is 322.4 secs Computing kpt #: 237 total cpu time spent up to now is 323.4 secs Computing kpt #: 238 total cpu time spent up to now is 324.4 secs Computing kpt #: 239 total cpu time spent up to now is 325.3 secs Computing kpt #: 240 total cpu time spent up to now is 326.2 secs Computing kpt #: 241 total cpu time spent up to now is 327.1 secs Computing kpt #: 242 total cpu time spent up to now is 328.1 secs Computing kpt #: 243 total cpu time spent up to now is 329.0 secs Computing kpt #: 244 total cpu time spent up to now is 330.0 secs Computing kpt #: 245 total cpu time spent up to now is 331.0 secs Computing kpt #: 246 total cpu time spent up to now is 332.6 secs Computing kpt #: 247 total cpu time spent up to now is 333.5 secs Computing kpt #: 248 total cpu time spent up to now is 334.4 secs Computing kpt #: 249 total cpu time spent up to now is 335.5 secs Computing kpt #: 250 total cpu time spent up to now is 336.5 secs Computing kpt #: 251 total cpu time spent up to now is 338.1 secs Computing kpt #: 252 total cpu time spent up to now is 339.2 secs Computing kpt #: 253 total cpu time spent up to now is 340.1 secs Computing kpt #: 254 total cpu time spent up to now is 342.4 secs Computing kpt #: 255 total cpu time spent up to now is 345.4 secs Computing kpt #: 256 total cpu time spent up to now is 346.7 secs Computing kpt #: 257 total cpu time spent up to now is 348.4 secs Computing kpt #: 258 total cpu time spent up to now is 349.4 secs Computing kpt #: 259 total cpu time spent up to now is 351.2 secs Computing kpt #: 260 total cpu time spent up to now is 352.4 secs Computing kpt #: 261 total cpu time spent up to now is 353.6 secs Computing kpt #: 262 total cpu time spent up to now is 354.7 secs Computing kpt #: 263 total cpu time spent up to now is 355.7 secs Computing kpt #: 264 total cpu time spent up to now is 356.7 secs Computing kpt #: 265 total cpu time spent up to now is 357.7 secs Computing kpt #: 266 total cpu time spent up to now is 358.8 secs Computing kpt #: 267 total cpu time spent up to now is 359.8 secs Computing kpt #: 268 total cpu time spent up to now is 360.9 secs Computing kpt #: 269 total cpu time spent up to now is 361.9 secs Computing kpt #: 270 total cpu time spent up to now is 363.0 secs Computing kpt #: 271 total cpu time spent up to now is 364.0 secs Computing kpt #: 272 total cpu time spent up to now is 365.0 secs Computing kpt #: 273 total cpu time spent up to now is 366.1 secs Computing kpt #: 274 total cpu time spent up to now is 367.1 secs Computing kpt #: 275 total cpu time spent up to now is 368.1 secs Computing kpt #: 276 total cpu time spent up to now is 369.1 secs Computing kpt #: 277 total cpu time spent up to now is 370.1 secs Computing kpt #: 278 total cpu time spent up to now is 371.0 secs Computing kpt #: 279 total cpu time spent up to now is 372.0 secs Computing kpt #: 280 total cpu time spent up to now is 373.0 secs Computing kpt #: 281 total cpu time spent up to now is 374.3 secs Computing kpt #: 282 total cpu time spent up to now is 375.7 secs Computing kpt #: 283 total cpu time spent up to now is 376.6 secs Computing kpt #: 284 total cpu time spent up to now is 378.3 secs Computing kpt #: 285 total cpu time spent up to now is 379.5 secs Computing kpt #: 286 total cpu time spent up to now is 380.5 secs Computing kpt #: 287 total cpu time spent up to now is 381.5 secs Computing kpt #: 288 total cpu time spent up to now is 382.5 secs Computing kpt #: 289 total cpu time spent up to now is 385.4 secs Computing kpt #: 290 total cpu time spent up to now is 386.8 secs Computing kpt #: 291 total cpu time spent up to now is 388.3 secs Computing kpt #: 292 total cpu time spent up to now is 390.4 secs Computing kpt #: 293 total cpu time spent up to now is 392.8 secs Computing kpt #: 294 total cpu time spent up to now is 394.4 secs Computing kpt #: 295 total cpu time spent up to now is 395.4 secs Computing kpt #: 296 total cpu time spent up to now is 396.4 secs Computing kpt #: 297 total cpu time spent up to now is 397.5 secs Computing kpt #: 298 total cpu time spent up to now is 398.7 secs Computing kpt #: 299 total cpu time spent up to now is 399.8 secs Computing kpt #: 300 total cpu time spent up to now is 401.1 secs Computing kpt #: 301 total cpu time spent up to now is 402.6 secs Computing kpt #: 302 total cpu time spent up to now is 404.2 secs Computing kpt #: 303 total cpu time spent up to now is 405.4 secs Computing kpt #: 304 total cpu time spent up to now is 406.4 secs Computing kpt #: 305 total cpu time spent up to now is 407.4 secs Computing kpt #: 306 total cpu time spent up to now is 408.3 secs Computing kpt #: 307 total cpu time spent up to now is 409.3 secs Computing kpt #: 308 total cpu time spent up to now is 410.2 secs Computing kpt #: 309 total cpu time spent up to now is 411.1 secs Computing kpt #: 310 total cpu time spent up to now is 412.0 secs Computing kpt #: 311 total cpu time spent up to now is 412.9 secs Computing kpt #: 312 total cpu time spent up to now is 413.8 secs Computing kpt #: 313 total cpu time spent up to now is 414.9 secs Computing kpt #: 314 total cpu time spent up to now is 415.8 secs Computing kpt #: 315 total cpu time spent up to now is 417.5 secs Computing kpt #: 316 total cpu time spent up to now is 418.8 secs Computing kpt #: 317 total cpu time spent up to now is 419.8 secs Computing kpt #: 318 total cpu time spent up to now is 420.7 secs Computing kpt #: 319 total cpu time spent up to now is 422.1 secs Computing kpt #: 320 total cpu time spent up to now is 423.4 secs Computing kpt #: 321 total cpu time spent up to now is 424.4 secs Computing kpt #: 322 total cpu time spent up to now is 425.4 secs Computing kpt #: 323 total cpu time spent up to now is 426.4 secs Computing kpt #: 324 total cpu time spent up to now is 427.4 secs Computing kpt #: 325 total cpu time spent up to now is 428.9 secs Computing kpt #: 326 total cpu time spent up to now is 430.0 secs Computing kpt #: 327 total cpu time spent up to now is 431.1 secs Computing kpt #: 328 total cpu time spent up to now is 433.2 secs Computing kpt #: 329 total cpu time spent up to now is 434.6 secs Computing kpt #: 330 total cpu time spent up to now is 435.7 secs Computing kpt #: 331 total cpu time spent up to now is 437.2 secs Computing kpt #: 332 total cpu time spent up to now is 438.5 secs Computing kpt #: 333 total cpu time spent up to now is 439.6 secs Computing kpt #: 334 total cpu time spent up to now is 440.7 secs Computing kpt #: 335 total cpu time spent up to now is 441.7 secs Computing kpt #: 336 total cpu time spent up to now is 442.8 secs Computing kpt #: 337 total cpu time spent up to now is 443.8 secs ethr = 2.78E-11, avg # of iterations = 26.9 total cpu time spent up to now is 443.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2677 PWs) bands (ev): -7.6384 -7.6384 -6.8572 -6.8572 2.9429 2.9429 4.0308 4.0308 4.5954 4.5954 4.7434 4.7434 4.9800 4.9800 5.1242 5.1242 5.1566 5.1566 5.2574 5.2574 5.5314 5.5314 5.5765 5.5765 5.6695 5.6695 5.7761 5.7761 5.9968 5.9968 6.1911 6.1911 6.2218 6.2218 6.3625 6.3625 8.8852 8.8852 10.9303 10.9303 16.0268 16.0268 17.1416 17.1416 k = 0.0000 0.0000 0.0127 ( 2681 PWs) bands (ev): -7.6379 -7.6379 -6.8575 -6.8575 2.9416 2.9416 4.0305 4.0305 4.5943 4.5943 4.7437 4.7437 4.9793 4.9793 5.1146 5.1146 5.1583 5.1583 5.2566 5.2566 5.5313 5.5313 5.5773 5.5773 5.6678 5.6678 5.7771 5.7771 6.0019 6.0019 6.1817 6.1817 6.2354 6.2354 6.3636 6.3636 8.8904 8.8904 10.9329 10.9329 16.0272 16.0272 17.1366 17.1366 k = 0.0000 0.0000 0.0253 ( 2679 PWs) bands (ev): -7.6364 -7.6364 -6.8585 -6.8585 2.9377 2.9377 4.0297 4.0297 4.5910 4.5910 4.7446 4.7446 4.9772 4.9772 5.0899 5.0899 5.1594 5.1594 5.2548 5.2548 5.5314 5.5314 5.5794 5.5794 5.6639 5.6639 5.7800 5.7800 6.0150 6.0150 6.1680 6.1680 6.2620 6.2620 6.3670 6.3670 8.9057 8.9057 10.9408 10.9408 16.0283 16.0283 17.1217 17.1217 k = 0.0000 0.0000 0.0380 ( 2683 PWs) bands (ev): -7.6340 -7.6340 -6.8603 -6.8603 2.9315 2.9315 4.0285 4.0285 4.5851 4.5851 4.7460 4.7460 4.9732 4.9732 5.0543 5.0543 5.1568 5.1568 5.2534 5.2534 5.5329 5.5329 5.5822 5.5822 5.6601 5.6601 5.7842 5.7842 6.0307 6.0307 6.1574 6.1574 6.2952 6.2952 6.3728 6.3728 8.9312 8.9312 10.9539 10.9539 16.0302 16.0302 17.0970 17.0970 k = 0.0000 0.0000 0.0507 ( 2673 PWs) bands (ev): -7.6305 -7.6305 -6.8627 -6.8627 2.9230 2.9230 4.0268 4.0268 4.5761 4.5761 4.7478 4.7478 4.9642 4.9642 5.0132 5.0132 5.1504 5.1504 5.2535 5.2535 5.5364 5.5364 5.5854 5.5854 5.6581 5.6581 5.7896 5.7896 6.0429 6.0429 6.1525 6.1525 6.3333 6.3333 6.3818 6.3818 8.9669 8.9669 10.9721 10.9721 16.0326 16.0326 17.0628 17.0628 k = 0.0000 0.0000 0.0634 ( 2675 PWs) bands (ev): -7.6261 -7.6261 -6.8657 -6.8657 2.9125 2.9125 4.0246 4.0246 4.5627 4.5627 4.7497 4.7497 4.9362 4.9362 4.9841 4.9841 5.1406 5.1406 5.2553 5.2553 5.5418 5.5418 5.5887 5.5887 5.6590 5.6590 5.7962 5.7962 6.0475 6.0475 6.1550 6.1550 6.3690 6.3690 6.4000 6.4000 9.0126 9.0126 10.9953 10.9953 16.0356 16.0356 17.0193 17.0193 k = 0.0000 0.0000 0.0760 ( 2675 PWs) bands (ev): -7.6208 -7.6208 -6.8695 -6.8695 2.9003 2.9003 4.0220 4.0220 4.5434 4.5434 4.7513 4.7513 4.8881 4.8881 4.9727 4.9727 5.1284 5.1284 5.2588 5.2588 5.5482 5.5482 5.5919 5.5919 5.6632 5.6632 5.8039 5.8039 6.0443 6.0443 6.1638 6.1638 6.3885 6.3885 6.4392 6.4392 9.0681 9.0681 11.0235 11.0235 16.0389 16.0389 16.9670 16.9670 k = 0.0000 0.0000 0.0887 ( 2671 PWs) bands (ev): -7.6146 -7.6146 -6.8739 -6.8739 2.8867 2.8867 4.0189 4.0189 4.5155 4.5155 4.7513 4.7513 4.8398 4.8398 4.9653 4.9653 5.1145 5.1145 5.2635 5.2635 5.5547 5.5547 5.5951 5.5951 5.6708 5.6708 5.8130 5.8130 6.0363 6.0363 6.1762 6.1762 6.4016 6.4016 6.4880 6.4880 9.1332 9.1332 11.0565 11.0565 16.0423 16.0423 16.9062 16.9062 k = 0.0000 0.0000 0.1014 ( 2673 PWs) bands (ev): -7.6075 -7.6075 -6.8790 -6.8790 2.8721 2.8721 4.0155 4.0155 4.4763 4.4763 4.7455 4.7455 4.8034 4.8034 4.9584 4.9584 5.0996 5.0996 5.2689 5.2689 5.5606 5.5606 5.5981 5.5981 5.6815 5.6815 5.8233 5.8233 6.0260 6.0260 6.1898 6.1898 6.4140 6.4140 6.5385 6.5385 9.2076 9.2076 11.0941 11.0941 16.0455 16.0455 16.8375 16.8375 k = 0.0000 0.0000 0.1141 ( 2671 PWs) bands (ev): -7.5995 -7.5995 -6.8847 -6.8847 2.8568 2.8568 4.0116 4.0116 4.4247 4.4247 4.7288 4.7288 4.7875 4.7875 4.9513 4.9513 5.0841 5.0841 5.2749 5.2749 5.5654 5.5654 5.6009 5.6009 5.6945 5.6945 5.8349 5.8349 6.0153 6.0153 6.2038 6.2038 6.4267 6.4267 6.5884 6.5884 9.2909 9.2909 11.1362 11.1362 16.0480 16.0480 16.7614 16.7614 k = 0.0000 0.0000 0.1267 ( 2671 PWs) bands (ev): -7.5908 -7.5908 -6.8910 -6.8910 2.8412 2.8412 4.0074 4.0074 4.3621 4.3621 4.7084 4.7084 4.7851 4.7851 4.9437 4.9437 5.0683 5.0683 5.2811 5.2811 5.5691 5.5691 5.6035 5.6035 5.7089 5.7089 5.8475 5.8475 6.0055 6.0055 6.2177 6.2177 6.4399 6.4399 6.6365 6.6365 9.3827 9.3827 11.1824 11.1824 16.0490 16.0490 16.6787 16.6787 k = 0.0000 0.0000 0.1394 ( 2678 PWs) bands (ev): -7.5813 -7.5813 -6.8980 -6.8980 2.8257 2.8257 4.0027 4.0027 4.2916 4.2916 4.6911 4.6911 4.7871 4.7871 4.9358 4.9358 5.0528 5.0528 5.2875 5.2875 5.5718 5.5718 5.6059 5.6059 5.7235 5.7235 5.8601 5.8601 5.9979 5.9979 6.2313 6.2313 6.4534 6.4534 6.6820 6.6820 9.4823 9.4823 11.2326 11.2326 16.0472 16.0472 16.5910 16.5910 k = 0.0000 0.0000 0.1521 ( 2670 PWs) bands (ev): -7.5711 -7.5711 -6.9055 -6.9055 2.8107 2.8107 3.9973 3.9973 4.2165 4.2165 4.6777 4.6777 4.7906 4.7906 4.9275 4.9275 5.0376 5.0376 5.2938 5.2938 5.5737 5.5737 5.6083 5.6083 5.7376 5.7376 5.8714 5.8714 5.9945 5.9945 6.2445 6.2445 6.4673 6.4673 6.7246 6.7246 9.5891 9.5891 11.2864 11.2864 16.0402 16.0402 16.5006 16.5006 k = 0.0000 0.0000 0.1647 ( 2674 PWs) bands (ev): -7.5602 -7.5602 -6.9136 -6.9136 2.7964 2.7964 3.9904 3.9904 4.1400 4.1400 4.6673 4.6673 4.7946 4.7946 4.9189 4.9189 5.0231 5.0231 5.3001 5.3001 5.5748 5.5748 5.6108 5.6108 5.7505 5.7505 5.8792 5.8792 5.9972 5.9972 6.2574 6.2574 6.4813 6.4813 6.7640 6.7640 9.7025 9.7025 11.3435 11.3435 16.0238 16.0238 16.4122 16.4122 k = 0.0000 0.0000 0.1774 ( 2672 PWs) bands (ev): -7.5488 -7.5488 -6.9222 -6.9222 2.7832 2.7832 3.9788 3.9788 4.0671 4.0671 4.6590 4.6590 4.7987 4.7987 4.9101 4.9101 5.0094 5.0094 5.3063 5.3063 5.5751 5.5751 5.6133 5.6133 5.7618 5.7618 5.8825 5.8825 6.0071 6.0071 6.2701 6.2701 6.4954 6.4954 6.8000 6.8000 9.8215 9.8215 11.4036 11.4036 15.9900 15.9900 16.3339 16.3339 k = 0.0000 0.0000 0.1901 ( 2670 PWs) bands (ev): -7.5369 -7.5369 -6.9312 -6.9312 2.7714 2.7714 3.9461 3.9461 4.0153 4.0153 4.6522 4.6522 4.8027 4.8027 4.9012 4.9012 4.9966 4.9966 5.3124 5.3124 5.5747 5.5747 5.6160 5.6160 5.7711 5.7711 5.8820 5.8820 6.0231 6.0231 6.2825 6.2825 6.5094 6.5094 6.8328 6.8328 9.9455 9.9455 11.4663 11.4663 15.9296 15.9296 16.2755 16.2755 k = 0.0000 0.0000 0.2028 ( 2676 PWs) bands (ev): -7.5246 -7.5246 -6.9407 -6.9407 2.7612 2.7612 3.8816 3.8816 3.9964 3.9964 4.6465 4.6465 4.8061 4.8061 4.8925 4.8925 4.9848 4.9848 5.3183 5.3183 5.5737 5.5737 5.6187 5.6187 5.7782 5.7782 5.8796 5.8796 6.0431 6.0431 6.2947 6.2947 6.5231 6.5231 6.8624 6.8624 10.0733 10.0733 11.5312 11.5312 15.8399 15.8399 16.2401 16.2401 k = 0.0000 0.0000 0.2154 ( 2674 PWs) bands (ev): -7.5119 -7.5119 -6.9505 -6.9505 2.7529 2.7529 3.8083 3.8083 3.9879 3.9879 4.6417 4.6417 4.8089 4.8089 4.8842 4.8842 4.9742 4.9742 5.3240 5.3240 5.5721 5.5721 5.6216 5.6216 5.7828 5.7828 5.8772 5.8772 6.0650 6.0650 6.3069 6.3069 6.5364 6.5364 6.8890 6.8890 10.2039 10.2039 11.5980 11.5980 15.7276 15.7276 16.2220 16.2220 k = 0.0000 0.0000 0.2281 ( 2673 PWs) bands (ev): -7.4991 -7.4991 -6.9606 -6.9606 2.7467 2.7467 3.7347 3.7347 3.9821 3.9821 4.6376 4.6376 4.8106 4.8106 4.8767 4.8767 4.9648 4.9648 5.3296 5.3296 5.5700 5.5700 5.6245 5.6245 5.7846 5.7846 5.8760 5.8760 6.0872 6.0872 6.3193 6.3193 6.5492 6.5492 6.9126 6.9126 10.3363 10.3363 11.6663 11.6663 15.6007 15.6007 16.2141 16.2141 k = 0.0000 0.0000 0.2408 ( 2667 PWs) bands (ev): -7.4861 -7.4861 -6.9709 -6.9709 2.7426 2.7426 3.6628 3.6628 3.9772 3.9772 4.6341 4.6341 4.8110 4.8110 4.8704 4.8704 4.9567 4.9567 5.3350 5.3350 5.5676 5.5676 5.6274 5.6274 5.7838 5.7838 5.8766 5.8766 6.1086 6.1086 6.3319 6.3319 6.5612 6.5612 6.9336 6.9336 10.4690 10.4690 11.7356 11.7356 15.4648 15.4648 16.2120 16.2120 k = 0.0000 0.0000 0.2535 ( 2665 PWs) bands (ev): -7.4732 -7.4732 -6.9813 -6.9813 2.7408 2.7408 3.5936 3.5936 3.9730 3.9730 4.6311 4.6311 4.8097 4.8097 4.8653 4.8653 4.9498 4.9498 5.3401 5.3401 5.5649 5.5649 5.6302 5.6302 5.7808 5.7808 5.8789 5.8789 6.1285 6.1285 6.3449 6.3449 6.5724 6.5724 6.9521 6.9521 10.6006 10.6006 11.8058 11.8058 15.3236 15.3236 16.2132 16.2132 k = 0.0000 0.0000 0.2661 ( 2663 PWs) bands (ev): -7.4605 -7.4605 -6.9916 -6.9916 2.7414 2.7414 3.5276 3.5276 3.9692 3.9692 4.6285 4.6285 4.8070 4.8070 4.8617 4.8617 4.9441 4.9441 5.3450 5.3450 5.5620 5.5620 5.6329 5.6329 5.7765 5.7765 5.8825 5.8825 6.1463 6.1463 6.3582 6.3582 6.5827 6.5827 6.9681 6.9681 10.7293 10.7293 11.8764 11.8764 15.1798 15.1798 16.2168 16.2168 k = 0.0000 0.0000 0.2788 ( 2663 PWs) bands (ev): -7.4482 -7.4482 -7.0018 -7.0018 2.7442 2.7442 3.4652 3.4652 3.9658 3.9658 4.6262 4.6262 4.8031 4.8031 4.8590 4.8590 4.9397 4.9397 5.3496 5.3496 5.5591 5.5591 5.6354 5.6354 5.7715 5.7715 5.8867 5.8867 6.1618 6.1618 6.3717 6.3717 6.5919 6.5919 6.9819 6.9819 10.8532 10.8532 11.9472 11.9472 15.0360 15.0360 16.2219 16.2219 k = 0.0000 0.0000 0.2915 ( 2668 PWs) bands (ev): -7.4364 -7.4364 -7.0116 -7.0116 2.7491 2.7491 3.4069 3.4069 3.9627 3.9627 4.6243 4.6243 4.7986 4.7986 4.8570 4.8570 4.9365 4.9365 5.3538 5.3538 5.5561 5.5561 5.6376 5.6376 5.7662 5.7662 5.8911 5.8911 6.1748 6.1748 6.3851 6.3851 6.5999 6.5999 6.9938 6.9938 10.9700 10.9700 12.0176 12.0176 14.8946 14.8946 16.2283 16.2283 k = 0.0000 0.0000 0.3041 ( 2662 PWs) bands (ev): -7.4254 -7.4254 -7.0208 -7.0208 2.7560 2.7560 3.3533 3.3533 3.9601 3.9601 4.6228 4.6228 4.7940 4.7940 4.8554 4.8554 4.9342 4.9342 5.3577 5.3577 5.5533 5.5533 5.6396 5.6396 5.7613 5.7613 5.8955 5.8955 6.1855 6.1855 6.3981 6.3981 6.6068 6.6068 7.0037 7.0037 11.0774 11.0774 12.0870 12.0870 14.7586 14.7586 16.2355 16.2355 k = 0.0000 0.0000 0.3168 ( 2661 PWs) bands (ev): -7.4154 -7.4154 -7.0292 -7.0292 2.7644 2.7644 3.3051 3.3051 3.9578 3.9578 4.6215 4.6215 4.7896 4.7896 4.8540 4.8540 4.9328 4.9328 5.3611 5.3611 5.5507 5.5507 5.6412 5.6412 5.7567 5.7567 5.8996 5.8996 6.1940 6.1940 6.4102 6.4102 6.6125 6.6125 7.0118 7.0118 11.1729 11.1729 12.1543 12.1543 14.6311 14.6311 16.2432 16.2432 k = 0.0000 0.0000 0.3295 ( 2662 PWs) bands (ev): -7.4068 -7.4068 -7.0365 -7.0365 2.7736 2.7736 3.2630 3.2630 3.9559 3.9559 4.6204 4.6204 4.7858 4.7858 4.8528 4.8528 4.9319 4.9319 5.3640 5.3640 5.5484 5.5484 5.6426 5.6426 5.7529 5.7529 5.9031 5.9031 6.2005 6.2005 6.4209 6.4209 6.6170 6.6170 7.0183 7.0183 11.2543 11.2543 12.2173 12.2173 14.5162 14.5162 16.2508 16.2508 k = 0.0000 0.0000 0.3422 ( 2656 PWs) bands (ev): -7.3997 -7.3997 -7.0426 -7.0426 2.7828 2.7828 3.2281 3.2281 3.9544 3.9544 4.6197 4.6197 4.7826 4.7826 4.8518 4.8518 4.9315 4.9315 5.3663 5.3663 5.5466 5.5466 5.6436 5.6436 5.7498 5.7498 5.9060 5.9060 6.2054 6.2054 6.4298 6.4298 6.6204 6.6204 7.0233 7.0233 11.3195 11.3195 12.2731 12.2731 14.4186 14.4186 16.2579 16.2579 k = 0.0000 0.0000 0.3548 ( 2656 PWs) bands (ev): -7.3944 -7.3944 -7.0472 -7.0472 2.7908 2.7908 3.2017 3.2017 3.9534 3.9534 4.6191 4.6191 4.7803 4.7803 4.8509 4.8509 4.9314 4.9314 5.3680 5.3680 5.5452 5.5452 5.6443 5.6443 5.7476 5.7476 5.9081 5.9081 6.2087 6.2087 6.4365 6.4365 6.6228 6.6228 7.0268 7.0268 11.3670 11.3670 12.3177 12.3177 14.3434 14.3434 16.2636 16.2636 k = 0.0000 0.0000 0.3675 ( 2656 PWs) bands (ev): -7.3911 -7.3911 -7.0500 -7.0500 2.7963 2.7963 3.1850 3.1850 3.9527 3.9527 4.6188 4.6188 4.7789 4.7789 4.8504 4.8504 4.9313 4.9313 5.3691 5.3691 5.5444 5.5444 5.6448 5.6448 5.7462 5.7462 5.9094 5.9094 6.2106 6.2106 6.4406 6.4406 6.6242 6.6242 7.0289 7.0289 11.3959 11.3959 12.3469 12.3469 14.2956 14.2956 16.2674 16.2674 k = 0.0000 0.0000 0.3802 ( 2650 PWs) bands (ev): -7.3900 -7.3900 -7.0510 -7.0510 2.7983 2.7983 3.1794 3.1794 3.9525 3.9525 4.6187 4.6187 4.7784 4.7784 4.8503 4.8503 4.9314 4.9314 5.3694 5.3694 5.5441 5.5441 5.6449 5.6449 5.7457 5.7457 5.9099 5.9099 6.2112 6.2112 6.4420 6.4420 6.6247 6.6247 7.0296 7.0296 11.4055 11.4055 12.3570 12.3570 14.2792 14.2792 16.2688 16.2688 k = 0.0000 0.0000 0.3802 ( 2650 PWs) bands (ev): -7.3900 -7.3900 -7.0510 -7.0510 2.7983 2.7983 3.1794 3.1794 3.9525 3.9525 4.6187 4.6187 4.7784 4.7784 4.8503 4.8503 4.9314 4.9314 5.3694 5.3694 5.5441 5.5441 5.6449 5.6449 5.7457 5.7457 5.9099 5.9099 6.2112 6.2112 6.4420 6.4420 6.6247 6.6247 7.0296 7.0296 11.4055 11.4055 12.3570 12.3570 14.2792 14.2792 16.2688 16.2688 k = 0.0000 0.0125 0.3802 ( 2652 PWs) bands (ev): -7.3896 -7.3896 -7.0507 -7.0507 2.7987 2.7987 3.1783 3.1783 3.9509 3.9509 4.6139 4.6139 4.7722 4.7722 4.8494 4.8494 4.9352 4.9352 5.3645 5.3645 5.5485 5.5485 5.6503 5.6503 5.7444 5.7444 5.9083 5.9083 6.2068 6.2068 6.4479 6.4479 6.6267 6.6267 7.0352 7.0352 11.4061 11.4061 12.3588 12.3588 14.2803 14.2803 16.2688 16.2688 k = 0.0000 0.0250 0.3802 ( 2653 PWs) bands (ev): -7.3881 -7.3881 -7.0498 -7.0498 2.7998 2.7998 3.1751 3.1751 3.9463 3.9463 4.6003 4.6003 4.7542 4.7542 4.8470 4.8470 4.9454 4.9454 5.3527 5.3527 5.5573 5.5573 5.6667 5.6667 5.7410 5.7410 5.9044 5.9044 6.1951 6.1951 6.4641 6.4641 6.6329 6.6329 7.0518 7.0518 11.4076 11.4076 12.3642 12.3642 14.2836 14.2836 16.2690 16.2690 k = 0.0000 0.0375 0.3802 ( 2658 PWs) bands (ev): -7.3858 -7.3858 -7.0484 -7.0484 2.8015 2.8015 3.1697 3.1697 3.9386 3.9386 4.5793 4.5793 4.7262 4.7262 4.8424 4.8424 4.9599 4.9599 5.3390 5.3390 5.5632 5.5632 5.6903 5.6903 5.7389 5.7389 5.9010 5.9010 6.1793 6.1793 6.4879 6.4879 6.6425 6.6425 7.0784 7.0784 11.4101 11.4101 12.3732 12.3732 14.2890 14.2890 16.2692 16.2692 k = 0.0000 0.0500 0.3802 ( 2669 PWs) bands (ev): -7.3825 -7.3825 -7.0464 -7.0464 2.8040 2.8040 3.1622 3.1622 3.9281 3.9281 4.5525 4.5525 4.6903 4.6903 4.8341 4.8341 4.9771 4.9771 5.3269 5.3269 5.5633 5.5633 5.7019 5.7019 5.7527 5.7527 5.9029 5.9029 6.1624 6.1624 6.5167 6.5167 6.6552 6.6552 7.1136 7.1136 11.4135 11.4135 12.3856 12.3856 14.2966 14.2966 16.2693 16.2693 k = 0.0000 0.0625 0.3802 ( 2669 PWs) bands (ev): -7.3782 -7.3782 -7.0439 -7.0439 2.8072 2.8072 3.1523 3.1523 3.9148 3.9148 4.5215 4.5215 4.6483 4.6483 4.8208 4.8208 4.9963 4.9963 5.3178 5.3178 5.5571 5.5571 5.6967 5.6967 5.7805 5.7805 5.9169 5.9169 6.1466 6.1466 6.5489 6.5489 6.6706 6.6706 7.1557 7.1557 11.4175 11.4175 12.4015 12.4015 14.3065 14.3065 16.2690 16.2690 k = 0.0000 0.0750 0.3802 ( 2665 PWs) bands (ev): -7.3731 -7.3731 -7.0409 -7.0409 2.8111 2.8111 3.1402 3.1402 3.8991 3.8991 4.4874 4.4874 4.6018 4.6018 4.8011 4.8011 5.0168 5.0168 5.3120 5.3120 5.5447 5.5447 5.6892 5.6892 5.8017 5.8017 5.9484 5.9484 6.1338 6.1338 6.5836 6.5836 6.6884 6.6884 7.2031 7.2031 11.4220 11.4220 12.4207 12.4207 14.3185 14.3185 16.2682 16.2682 k = 0.0000 0.0875 0.3802 ( 2669 PWs) bands (ev): -7.3670 -7.3670 -7.0373 -7.0373 2.8155 2.8155 3.1257 3.1257 3.8812 3.8812 4.4512 4.4512 4.5518 4.5518 4.7741 4.7741 5.0382 5.0382 5.3093 5.3093 5.5275 5.5275 5.6841 5.6841 5.8132 5.8132 5.9924 5.9924 6.1275 6.1275 6.6200 6.6200 6.7086 6.7086 7.2542 7.2542 11.4268 11.4268 12.4430 12.4430 14.3329 14.3329 16.2662 16.2662 k = 0.0000 0.1000 0.3802 ( 2665 PWs) bands (ev): -7.3601 -7.3601 -7.0333 -7.0333 2.8205 2.8205 3.1088 3.1088 3.8613 3.8613 4.4136 4.4136 4.4995 4.4995 4.7393 4.7393 5.0603 5.0603 5.3092 5.3092 5.5080 5.5080 5.6822 5.6822 5.8195 5.8195 6.0325 6.0325 6.1377 6.1377 6.6577 6.6577 6.7311 6.7311 7.3077 7.3077 11.4315 11.4315 12.4684 12.4684 14.3496 14.3496 16.2624 16.2624 k = 0.0000 0.1125 0.3802 ( 2663 PWs) bands (ev): -7.3523 -7.3523 -7.0288 -7.0288 2.8260 2.8260 3.0894 3.0894 3.8397 3.8397 4.3752 4.3752 4.4456 4.4456 4.6964 4.6964 5.0829 5.0829 5.3111 5.3111 5.4892 5.4892 5.6829 5.6829 5.8238 5.8238 6.0501 6.0501 6.1786 6.1786 6.6962 6.6962 6.7559 6.7559 7.3624 7.3624 11.4359 11.4359 12.4966 12.4966 14.3687 14.3687 16.2560 16.2560 k = 0.0000 0.1250 0.3802 ( 2659 PWs) bands (ev): -7.3437 -7.3437 -7.0239 -7.0239 2.8319 2.8319 3.0675 3.0675 3.8167 3.8167 4.3366 4.3366 4.3907 4.3907 4.6456 4.6456 5.1059 5.1059 5.3146 5.3146 5.4731 5.4731 5.6854 5.6854 5.8275 5.8275 6.0514 6.0514 6.2415 6.2415 6.7352 6.7352 6.7833 6.7833 7.4175 7.4175 11.4398 11.4398 12.5273 12.5273 14.3901 14.3901 16.2457 16.2457 k = 0.0000 0.1375 0.3802 ( 2659 PWs) bands (ev): -7.3342 -7.3342 -7.0185 -7.0185 2.8380 2.8380 3.0433 3.0433 3.7925 3.7925 4.2982 4.2982 4.3353 4.3353 4.5877 4.5877 5.1293 5.1293 5.3190 5.3190 5.4610 5.4610 5.6888 5.6888 5.8312 5.8312 6.0481 6.0481 6.3133 6.3133 6.7744 6.7744 6.8133 6.8133 7.4721 7.4721 11.4428 11.4428 12.5604 12.5604 14.4140 14.4140 16.2300 16.2300 k = 0.0000 0.1500 0.3802 ( 2656 PWs) bands (ev): -7.3240 -7.3240 -7.0128 -7.0128 2.8439 2.8439 3.0171 3.0171 3.7672 3.7672 4.2602 4.2602 4.2800 4.2800 4.5236 4.5236 5.1530 5.1530 5.3241 5.3241 5.4534 5.4534 5.6929 5.6929 5.8352 5.8352 6.0441 6.0441 6.3894 6.3894 6.8134 6.8134 6.8459 6.8459 7.5257 7.5257 11.4446 11.4446 12.5956 12.5956 14.4403 14.4403 16.2073 16.2073 k = 0.0000 0.1625 0.3802 ( 2654 PWs) bands (ev): -7.3130 -7.3130 -7.0068 -7.0068 2.8492 2.8492 2.9894 2.9894 3.7413 3.7413 4.2215 4.2215 4.2264 4.2264 4.4544 4.4544 5.1770 5.1770 5.3294 5.3294 5.4503 5.4503 5.6972 5.6972 5.8396 5.8396 6.0408 6.0408 6.4677 6.4677 6.8522 6.8522 6.8812 6.8812 7.5778 7.5778 11.4450 11.4450 12.6326 12.6326 14.4690 14.4690 16.1758 16.1758 k = 0.0000 0.1750 0.3802 ( 2657 PWs) bands (ev): -7.3013 -7.3013 -7.0004 -7.0004 2.8523 2.8523 2.9617 2.9617 3.7148 3.7148 4.1692 4.1692 4.1876 4.1876 4.3815 4.3815 5.2011 5.2011 5.3348 5.3348 5.4514 5.4514 5.7017 5.7017 5.8444 5.8444 6.0385 6.0385 6.5475 6.5475 6.8907 6.8907 6.9187 6.9187 7.6282 7.6282 11.4438 11.4438 12.6710 12.6710 14.5001 14.5001 16.1340 16.1340 k = 0.0000 0.1875 0.3802 ( 2656 PWs) bands (ev): -7.2889 -7.2889 -6.9939 -6.9939 2.8501 2.8501 2.9373 2.9373 3.6879 3.6879 4.1151 4.1151 4.1518 4.1518 4.3065 4.3065 5.2253 5.2253 5.3402 5.3402 5.4562 5.4562 5.7062 5.7062 5.8496 5.8496 6.0374 6.0374 6.6280 6.6280 6.9292 6.9292 6.9582 6.9582 7.6764 7.6764 11.4407 11.4407 12.7104 12.7104 14.5334 14.5334 16.0815 16.0815 k = 0.0000 0.2000 0.3802 ( 2660 PWs) bands (ev): -7.2759 -7.2759 -6.9871 -6.9871 2.8365 2.8365 2.9223 2.9223 3.6609 3.6609 4.0615 4.0615 4.1154 4.1154 4.2318 4.2318 5.2492 5.2492 5.3458 5.3458 5.4641 5.4641 5.7107 5.7107 5.8553 5.8553 6.0375 6.0375 6.7090 6.7090 6.9679 6.9679 6.9993 6.9993 7.7223 7.7223 11.4356 11.4356 12.7506 12.7506 14.5689 14.5689 16.0188 16.0188 k = 0.0000 0.2125 0.3802 ( 2654 PWs) bands (ev): -7.2622 -7.2622 -6.9801 -6.9801 2.8097 2.8097 2.9186 2.9186 3.6339 3.6339 4.0085 4.0085 4.0750 4.0750 4.1621 4.1621 5.2727 5.2727 5.3519 5.3519 5.4745 5.4745 5.7152 5.7152 5.8614 5.8614 6.0389 6.0389 6.7899 6.7899 7.0065 7.0065 7.0421 7.0421 7.7659 7.7659 11.4284 11.4284 12.7910 12.7910 14.6063 14.6063 15.9478 15.9478 k = 0.0000 0.2250 0.3802 ( 2654 PWs) bands (ev): -7.2480 -7.2480 -6.9731 -6.9731 2.7745 2.7745 2.9217 2.9217 3.6069 3.6069 3.9556 3.9556 4.0232 4.0232 4.1059 4.1059 5.2950 5.2950 5.3589 5.3589 5.4869 5.4869 5.7197 5.7197 5.8679 5.8679 6.0417 6.0417 6.8703 6.8703 7.0449 7.0449 7.0865 7.0865 7.8069 7.8069 11.4191 11.4191 12.8313 12.8313 14.6452 14.6452 15.8706 15.8706 k = 0.0000 0.2375 0.3802 ( 2659 PWs) bands (ev): -7.2333 -7.2333 -6.9660 -6.9660 2.7350 2.7350 2.9277 2.9277 3.5802 3.5802 3.9017 3.9017 3.9590 3.9590 4.0663 4.0663 5.3149 5.3149 5.3680 5.3680 5.5007 5.5007 5.7242 5.7242 5.8749 5.8749 6.0455 6.0455 6.9499 6.9499 7.0829 7.0829 7.1328 7.1328 7.8453 7.8453 11.4076 11.4076 12.8709 12.8709 14.6852 14.6852 15.7901 15.7901 k = 0.0000 0.2500 0.3802 ( 2660 PWs) bands (ev): -7.2181 -7.2181 -6.9589 -6.9589 2.6930 2.6930 2.9348 2.9348 3.5539 3.5539 3.8434 3.8434 3.8936 3.8936 4.0361 4.0361 5.3310 5.3310 5.3806 5.3806 5.5156 5.5156 5.7287 5.7287 5.8825 5.8825 6.0506 6.0506 7.0280 7.0280 7.1205 7.1205 7.1811 7.1811 7.8810 7.8810 11.3941 11.3941 12.9094 12.9094 14.7254 14.7254 15.7087 15.7087 k = 0.0000 0.2625 0.3802 ( 2658 PWs) bands (ev): -7.2026 -7.2026 -6.9518 -6.9518 2.6497 2.6497 2.9421 2.9421 3.5279 3.5279 3.7770 3.7770 3.8359 3.8359 4.0108 4.0108 5.3426 5.3426 5.3971 5.3971 5.5314 5.5314 5.7333 5.7333 5.8907 5.8907 6.0569 6.0569 7.1033 7.1033 7.1582 7.1582 7.2317 7.2317 7.9142 7.9142 11.3785 11.3785 12.9461 12.9461 14.7648 14.7648 15.6290 15.6290 k = 0.0000 0.2750 0.3802 ( 2658 PWs) bands (ev): -7.1866 -7.1866 -6.9448 -6.9448 2.6056 2.6056 2.9491 2.9491 3.5023 3.5023 3.7052 3.7052 3.7858 3.7858 3.9884 3.9884 5.3507 5.3507 5.4164 5.4164 5.5475 5.5475 5.7382 5.7382 5.8996 5.8996 6.0642 6.0642 7.1713 7.1713 7.1995 7.1995 7.2850 7.2850 7.9447 7.9447 11.3611 11.3611 12.9806 12.9806 14.8016 14.8016 15.5535 15.5535 k = 0.0000 0.2875 0.3802 ( 2658 PWs) bands (ev): -7.1704 -7.1704 -6.9380 -6.9380 2.5612 2.5612 2.9552 2.9552 3.4770 3.4770 3.6326 3.6326 3.7402 3.7402 3.9683 3.9683 5.3566 5.3566 5.4369 5.4369 5.5639 5.5639 5.7432 5.7432 5.9093 5.9093 6.0726 6.0726 7.2188 7.2188 7.2567 7.2567 7.3416 7.3416 7.9726 7.9726 11.3421 11.3421 13.0123 13.0123 14.8332 14.8332 15.4846 15.4846 k = 0.0000 0.3000 0.3802 ( 2658 PWs) bands (ev): -7.1539 -7.1539 -6.9315 -6.9315 2.5171 2.5171 2.9599 2.9599 3.4518 3.4518 3.5622 3.5622 3.6974 3.6974 3.9501 3.9501 5.3614 5.3614 5.4575 5.4575 5.5801 5.5801 5.7485 5.7485 5.9197 5.9197 6.0820 6.0820 7.2549 7.2549 7.3197 7.3197 7.4019 7.4019 7.9979 7.9979 11.3218 11.3218 13.0405 13.0405 14.8563 14.8563 15.4233 15.4233 k = 0.0000 0.3125 0.3802 ( 2663 PWs) bands (ev): -7.1373 -7.1373 -6.9252 -6.9252 2.4735 2.4735 2.9623 2.9623 3.4256 3.4256 3.4968 3.4968 3.6570 3.6570 3.9336 3.9336 5.3654 5.3654 5.4775 5.4775 5.5958 5.5958 5.7540 5.7540 5.9311 5.9311 6.0923 6.0923 7.2882 7.2882 7.3799 7.3799 7.4654 7.4654 8.0207 8.0207 11.3003 11.3003 13.0647 13.0647 14.8669 14.8669 15.3666 15.3666 k = 0.0000 0.3250 0.3802 ( 2659 PWs) bands (ev): -7.1205 -7.1205 -6.9192 -6.9192 2.4308 2.4308 2.9615 2.9615 3.3945 3.3945 3.4415 3.4415 3.6189 3.6189 3.9187 3.9187 5.3688 5.3688 5.4966 5.4966 5.6111 5.6111 5.7601 5.7601 5.9434 5.9434 6.1035 6.1035 7.3201 7.3201 7.4368 7.4368 7.5307 7.5307 8.0410 8.0410 11.2782 11.2782 13.0841 13.0841 14.8625 14.8625 15.3069 15.3069 k = 0.0000 0.3375 0.3802 ( 2661 PWs) bands (ev): -7.1037 -7.1037 -6.9135 -6.9135 2.3895 2.3895 2.9563 2.9563 3.3529 3.3529 3.4036 3.4036 3.5828 3.5828 3.9053 3.9053 5.3719 5.3719 5.5147 5.5147 5.6253 5.6253 5.7665 5.7665 5.9566 5.9566 6.1154 6.1154 7.3508 7.3508 7.4912 7.4912 7.5963 7.5963 8.0588 8.0588 11.2556 11.2556 13.0984 13.0984 14.8437 14.8437 15.2417 15.2417 k = 0.0000 0.3500 0.3802 ( 2665 PWs) bands (ev): -7.0869 -7.0869 -6.9083 -6.9083 2.3496 2.3496 2.9450 2.9450 3.3083 3.3083 3.3775 3.3775 3.5489 3.5489 3.8934 3.8934 5.3745 5.3745 5.5315 5.5315 5.6385 5.6385 5.7735 5.7735 5.9706 5.9706 6.1281 6.1281 7.3805 7.3805 7.5437 7.5437 7.6608 7.6608 8.0743 8.0743 11.2330 11.2330 13.1071 13.1071 14.8142 14.8142 15.1749 15.1749 k = 0.0000 0.3625 0.3802 ( 2664 PWs) bands (ev): -7.0703 -7.0703 -6.9036 -6.9036 2.3116 2.3116 2.9263 2.9263 3.2696 3.2696 3.3555 3.3555 3.5173 3.5173 3.8829 3.8829 5.3769 5.3769 5.5471 5.5471 5.6503 5.6503 5.7810 5.7810 5.9854 5.9854 6.1413 6.1413 7.4091 7.4091 7.5947 7.5947 7.7235 7.7235 8.0875 8.0875 11.2109 11.2109 13.1097 13.1097 14.7787 14.7787 15.1097 15.1097 k = 0.0000 0.3750 0.3802 ( 2661 PWs) bands (ev): -7.0538 -7.0538 -6.8993 -6.8993 2.2757 2.2757 2.8998 2.8998 3.2397 3.2397 3.3355 3.3355 3.4879 3.4879 3.8738 3.8738 5.3789 5.3789 5.5614 5.5614 5.6608 5.6608 5.7890 5.7890 6.0009 6.0009 6.1549 6.1549 7.4365 7.4365 7.6441 7.6441 7.7836 7.7836 8.0984 8.0984 11.1895 11.1895 13.1061 13.1061 14.7407 14.7407 15.0478 15.0478 k = 0.0000 0.3875 0.3802 ( 2670 PWs) bands (ev): -7.0376 -7.0376 -6.8956 -6.8956 2.2421 2.2421 2.8662 2.8662 3.2184 3.2184 3.3168 3.3168 3.4609 3.4609 3.8661 3.8661 5.3807 5.3807 5.5745 5.5745 5.6697 5.6697 5.7974 5.7974 6.0167 6.0167 6.1687 6.1687 7.4628 7.4628 7.6920 7.6920 7.8406 7.8406 8.1072 8.1072 11.1693 11.1693 13.0963 13.0963 14.7025 14.7025 14.9903 14.9903 k = 0.0000 0.4000 0.3802 ( 2666 PWs) bands (ev): -7.0218 -7.0218 -6.8924 -6.8924 2.2110 2.2110 2.8274 2.8274 3.2041 3.2041 3.2993 3.2993 3.4364 3.4364 3.8599 3.8599 5.3822 5.3822 5.5865 5.5865 5.6774 5.6774 5.8061 5.8061 6.0329 6.0329 6.1826 6.1826 7.4880 7.4880 7.7382 7.7382 7.8942 7.8942 8.1138 8.1138 11.1508 11.1508 13.0807 13.0807 14.6652 14.6652 14.9380 14.9380 k = 0.0000 0.4125 0.3802 ( 2664 PWs) bands (ev): -7.0065 -7.0065 -6.8897 -6.8897 2.1826 2.1826 2.7856 2.7856 3.1948 3.1948 3.2828 3.2828 3.4145 3.4145 3.8550 3.8550 5.3835 5.3835 5.5973 5.5973 5.6838 5.6838 5.8151 5.8151 6.0491 6.0491 6.1963 6.1963 7.5119 7.5119 7.7825 7.7825 7.9439 7.9439 8.1184 8.1184 11.1344 11.1344 13.0595 13.0595 14.6290 14.6290 14.8913 14.8913 k = 0.0000 0.4250 0.3802 ( 2670 PWs) bands (ev): -6.9919 -6.9919 -6.8874 -6.8874 2.1571 2.1571 2.7426 2.7426 3.1884 3.1884 3.2674 3.2674 3.3950 3.3950 3.8515 3.8515 5.3844 5.3844 5.6071 5.6071 5.6890 5.6890 5.8240 5.8240 6.0652 6.0652 6.2097 6.2097 7.5344 7.5344 7.8247 7.8247 7.9892 7.9892 8.1211 8.1211 11.1204 11.1204 13.0333 13.0333 14.5936 14.5936 14.8506 14.8506 k = 0.0000 0.4375 0.3802 ( 2670 PWs) bands (ev): -6.9782 -6.9782 -6.8855 -6.8855 2.1346 2.1346 2.7000 2.7000 3.1835 3.1835 3.2535 3.2535 3.3782 3.3782 3.8494 3.8494 5.3852 5.3852 5.6160 5.6160 5.6933 5.6933 5.8328 5.8328 6.0808 6.0808 6.2225 6.2225 7.5556 7.5556 7.8645 7.8645 8.0295 8.0295 8.1224 8.1224 11.1093 11.1093 13.0030 13.0030 14.5586 14.5586 14.8158 14.8158 k = 0.0000 0.4500 0.3802 ( 2669 PWs) bands (ev): -6.9656 -6.9656 -6.8837 -6.8837 2.1152 2.1152 2.6587 2.6587 3.1790 3.1790 3.2411 3.2411 3.3640 3.3640 3.8488 3.8488 5.3857 5.3857 5.6239 5.6239 5.6969 5.6969 5.8414 5.8414 6.0957 6.0957 6.2346 6.2346 7.5753 7.5753 7.9018 7.9018 8.0635 8.0635 8.1235 8.1235 11.1014 11.1014 12.9693 12.9693 14.5232 14.5232 14.7869 14.7869 k = 0.0000 0.4625 0.3802 ( 2669 PWs) bands (ev): -6.9547 -6.9547 -6.8817 -6.8817 2.0992 2.0992 2.6194 2.6194 3.1739 3.1739 3.2306 3.2306 3.3523 3.3523 3.8495 3.8495 5.3859 5.3859 5.6309 5.6309 5.6998 5.6998 5.8496 5.8496 6.1098 6.1098 6.2458 6.2458 7.5936 7.5936 7.9361 7.9361 8.0871 8.0871 8.1282 8.1282 11.0972 11.0972 12.9331 12.9331 14.4869 14.4869 14.7637 14.7637 k = 0.0000 0.4750 0.3802 ( 2675 PWs) bands (ev): -6.9458 -6.9458 -6.8790 -6.8790 2.0864 2.0864 2.5826 2.5826 3.1678 3.1678 3.2222 3.2222 3.3430 3.3430 3.8516 3.8516 5.3860 5.3860 5.6371 5.6371 5.7023 5.7023 5.8573 5.8573 6.1228 6.1228 6.2558 6.2558 7.6101 7.6101 7.9672 7.9672 8.0945 8.0945 8.1423 8.1423 11.0968 11.0968 12.8951 12.8951 14.4490 14.4490 14.7458 14.7458 k = 0.0000 0.4874 0.3802 ( 2677 PWs) bands (ev): -6.9397 -6.9397 -6.8752 -6.8752 2.0771 2.0771 2.5487 2.5487 3.1608 3.1608 3.2156 3.2156 3.3360 3.3360 3.8550 3.8550 5.3858 5.3858 5.6424 5.6424 5.7045 5.7045 5.8646 5.8646 6.1345 6.1345 6.2645 6.2645 7.6251 7.6251 7.9947 7.9947 8.0914 8.0914 8.1601 8.1601 11.1005 11.1005 12.8560 12.8560 14.4088 14.4088 14.7334 14.7334 k = 0.0000 0.4999 0.3802 ( 2671 PWs) bands (ev): -6.9366 -6.9366 -6.8700 -6.8700 2.0713 2.0713 2.5181 2.5181 3.1533 3.1533 3.2106 3.2106 3.3313 3.3313 3.8596 3.8596 5.3854 5.3854 5.6469 5.6469 5.7066 5.7066 5.8714 5.8714 6.1447 6.1447 6.2718 6.2718 7.6382 7.6382 8.0180 8.0180 8.0844 8.0844 8.1755 8.1755 11.1085 11.1085 12.8167 12.8167 14.3658 14.3658 14.7264 14.7264 k = 0.0000 0.5124 0.3802 ( 2676 PWs) bands (ev): -6.9365 -6.9365 -6.8634 -6.8634 2.0690 2.0690 2.4908 2.4908 3.1456 3.1456 3.2064 3.2064 3.3288 3.3288 3.8654 3.8654 5.3848 5.3848 5.6504 5.6504 5.7085 5.7085 5.8775 5.8775 6.1533 6.1533 6.2775 6.2775 7.6496 7.6496 8.0354 8.0354 8.0767 8.0767 8.1866 8.1866 11.1208 11.1208 12.7778 12.7778 14.3193 14.3193 14.7250 14.7250 k = 0.0000 0.5124 0.3802 ( 2676 PWs) bands (ev): -6.9365 -6.9365 -6.8634 -6.8634 2.0690 2.0690 2.4908 2.4908 3.1456 3.1456 3.2064 3.2064 3.3288 3.3288 3.8654 3.8654 5.3848 5.3848 5.6504 5.6504 5.7085 5.7085 5.8775 5.8775 6.1533 6.1533 6.2775 6.2775 7.6496 7.6496 8.0354 8.0354 8.0767 8.0767 8.1866 8.1866 11.1208 11.1208 12.7778 12.7778 14.3193 14.3193 14.7250 14.7250 k = 0.0000 0.5179 0.3699 ( 2672 PWs) bands (ev): -6.9387 -6.9387 -6.8565 -6.8565 2.0700 2.0700 2.4581 2.4581 3.1359 3.1359 3.1932 3.1932 3.3263 3.3263 3.8694 3.8694 5.3926 5.3926 5.6594 5.6594 5.7155 5.7155 5.8835 5.8835 6.1627 6.1627 6.2752 6.2752 7.6913 7.6913 8.0413 8.0413 8.0783 8.0783 8.1904 8.1904 11.1151 11.1151 12.7355 12.7355 14.3111 14.3111 14.7258 14.7258 k = 0.0000 0.5234 0.3596 ( 2670 PWs) bands (ev): -6.9405 -6.9405 -6.8504 -6.8504 2.0727 2.0727 2.4275 2.4275 3.1271 3.1271 3.1824 3.1824 3.3241 3.3241 3.8728 3.8728 5.3993 5.3993 5.6669 5.6669 5.7221 5.7221 5.8890 5.8890 6.1720 6.1720 6.2724 6.2724 7.7321 7.7321 8.0438 8.0438 8.0775 8.0775 8.1935 8.1935 11.1108 11.1108 12.6976 12.6976 14.3033 14.3033 14.7280 14.7280 k = 0.0000 0.5289 0.3494 ( 2669 PWs) bands (ev): -6.9421 -6.9421 -6.8452 -6.8452 2.0768 2.0768 2.3994 2.3994 3.1194 3.1194 3.1736 3.1736 3.3223 3.3223 3.8756 3.8756 5.4050 5.4050 5.6733 5.6733 5.7282 5.7282 5.8936 5.8936 6.1810 6.1810 6.2690 6.2690 7.7717 7.7717 8.0409 8.0409 8.0767 8.0767 8.1959 8.1959 11.1077 11.1077 12.6647 12.6647 14.2961 14.2961 14.7312 14.7312 k = 0.0000 0.5345 0.3391 ( 2671 PWs) bands (ev): -6.9435 -6.9435 -6.8410 -6.8410 2.0818 2.0818 2.3745 2.3745 3.1129 3.1129 3.1668 3.1668 3.3208 3.3208 3.8778 3.8778 5.4096 5.4096 5.6783 5.6783 5.7335 5.7335 5.8974 5.8974 6.1896 6.1896 6.2651 6.2651 7.8100 7.8100 8.0314 8.0314 8.0772 8.0772 8.1977 8.1977 11.1056 11.1056 12.6372 12.6372 14.2899 14.2899 14.7348 14.7348 k = 0.0000 0.5400 0.3288 ( 2669 PWs) bands (ev): -6.9445 -6.9445 -6.8377 -6.8377 2.0870 2.0870 2.3536 2.3536 3.1077 3.1077 3.1617 3.1617 3.3196 3.3196 3.8795 3.8795 5.4131 5.4131 5.6822 5.6822 5.7379 5.7379 5.9005 5.9005 6.1975 6.1975 6.2610 6.2610 7.8467 7.8467 8.0160 8.0160 8.0786 8.0786 8.1991 8.1991 11.1042 11.1042 12.6154 12.6154 14.2849 14.2849 14.7383 14.7383 k = 0.0000 0.5455 0.3186 ( 2667 PWs) bands (ev): -6.9452 -6.9452 -6.8353 -6.8353 2.0918 2.0918 2.3376 2.3376 3.1040 3.1040 3.1581 3.1581 3.3188 3.3188 3.8807 3.8807 5.4156 5.4156 5.6850 5.6850 5.7412 5.7412 5.9027 5.9027 6.2041 6.2041 6.2571 6.2571 7.8816 7.8816 7.9959 7.9959 8.0801 8.0801 8.2000 8.2000 11.1034 11.1034 12.5996 12.5996 14.2812 14.2812 14.7413 14.7413 k = 0.0000 0.5510 0.3083 ( 2669 PWs) bands (ev): -6.9457 -6.9457 -6.8338 -6.8338 2.0951 2.0951 2.3275 2.3275 3.1017 3.1017 3.1560 3.1560 3.3183 3.3183 3.8813 3.8813 5.4171 5.4171 5.6866 5.6866 5.7432 5.7432 5.9040 5.9040 6.2088 6.2088 6.2541 6.2541 7.9143 7.9143 7.9718 7.9718 8.0811 8.0811 8.2005 8.2005 11.1030 11.1030 12.5900 12.5900 14.2790 14.2790 14.7432 14.7432 k = 0.0000 0.5565 0.2980 ( 2670 PWs) bands (ev): -6.9458 -6.9458 -6.8333 -6.8333 2.0963 2.0963 2.3240 2.3240 3.1010 3.1010 3.1553 3.1553 3.3181 3.3181 3.8816 3.8816 5.4177 5.4177 5.6872 5.6872 5.7438 5.7438 5.9045 5.9045 6.2105 6.2105 6.2528 6.2528 7.9437 7.9437 7.9453 7.9453 8.0815 8.0815 8.2007 8.2007 11.1029 11.1029 12.5868 12.5868 14.2782 14.2782 14.7439 14.7439 k = 0.0000 0.5565 0.2980 ( 2670 PWs) bands (ev): -6.9458 -6.9458 -6.8333 -6.8333 2.0963 2.0963 2.3240 2.3240 3.1010 3.1010 3.1553 3.1553 3.3181 3.3181 3.8816 3.8816 5.4177 5.4177 5.6872 5.6872 5.7438 5.7438 5.9045 5.9045 6.2105 6.2105 6.2528 6.2528 7.9437 7.9437 7.9453 7.9453 8.0815 8.0815 8.2007 8.2007 11.1029 11.1029 12.5868 12.5868 14.2782 14.2782 14.7439 14.7439 k = 0.0125 0.5565 0.2980 ( 2672 PWs) bands (ev): -6.9458 -6.9458 -6.8334 -6.8334 2.0972 2.0972 2.3249 2.3249 3.1015 3.1015 3.1558 3.1558 3.3189 3.3189 3.8816 3.8816 5.4173 5.4173 5.6864 5.6864 5.7441 5.7441 5.9038 5.9038 6.2106 6.2106 6.2528 6.2528 7.9287 7.9287 7.9484 7.9484 8.0870 8.0870 8.1973 8.1973 11.1068 11.1068 12.5903 12.5903 14.2787 14.2787 14.7334 14.7334 k = 0.0250 0.5565 0.2980 ( 2668 PWs) bands (ev): -6.9455 -6.9455 -6.8334 -6.8334 2.0999 2.0999 2.3275 2.3275 3.1031 3.1031 3.1574 3.1574 3.3210 3.3210 3.8818 3.8818 5.4163 5.4163 5.6842 5.6842 5.7450 5.7450 5.9019 5.9019 6.2108 6.2108 6.2529 6.2529 7.9002 7.9002 7.9452 7.9452 8.0994 8.0994 8.1875 8.1875 11.1184 11.1184 12.6005 12.6005 14.2801 14.2801 14.7032 14.7032 k = 0.0375 0.5565 0.2980 ( 2666 PWs) bands (ev): -6.9452 -6.9452 -6.8334 -6.8334 2.1043 2.1043 2.3319 2.3319 3.1058 3.1058 3.1602 3.1602 3.3245 3.3245 3.8820 3.8820 5.4146 5.4146 5.6807 5.6807 5.7463 5.7463 5.8987 5.8987 6.2112 6.2112 6.2530 6.2530 7.8625 7.8625 7.9373 7.9373 8.1114 8.1114 8.1730 8.1730 11.1373 11.1373 12.6172 12.6172 14.2818 14.2818 14.6569 14.6569 k = 0.0500 0.5565 0.2980 ( 2664 PWs) bands (ev): -6.9447 -6.9447 -6.8335 -6.8335 2.1105 2.1105 2.3381 2.3381 3.1095 3.1095 3.1641 3.1641 3.3295 3.3295 3.8823 3.8823 5.4123 5.4123 5.6761 5.6761 5.7477 5.7477 5.8944 5.8944 6.2116 6.2116 6.2531 6.2531 7.8186 7.8186 7.9256 7.9256 8.1139 8.1139 8.1597 8.1597 11.1633 11.1633 12.6401 12.6401 14.2828 14.2828 14.5996 14.5996 k = 0.0625 0.5565 0.2980 ( 2664 PWs) bands (ev): -6.9440 -6.9440 -6.8336 -6.8336 2.1183 2.1183 2.3459 2.3459 3.1141 3.1141 3.1692 3.1692 3.3358 3.3358 3.8825 3.8825 5.4093 5.4093 5.6705 5.6705 5.7492 5.7492 5.8890 5.8890 6.2121 6.2121 6.2531 6.2531 7.7701 7.7701 7.9101 7.9101 8.0966 8.0966 8.1567 8.1567 11.1956 11.1956 12.6685 12.6685 14.2809 14.2809 14.5373 14.5373 k = 0.0750 0.5565 0.2980 ( 2662 PWs) bands (ev): -6.9432 -6.9432 -6.8337 -6.8337 2.1279 2.1279 2.3555 2.3555 3.1196 3.1196 3.1756 3.1756 3.3436 3.3436 3.8828 3.8828 5.4057 5.4057 5.6642 5.6642 5.7505 5.7505 5.8826 5.8826 6.2128 6.2128 6.2530 6.2530 7.7182 7.7182 7.8907 7.8907 8.0652 8.0652 8.1585 8.1585 11.2337 11.2337 12.7016 12.7016 14.2720 14.2720 14.4777 14.4777 k = 0.0875 0.5565 0.2980 ( 2664 PWs) bands (ev): -6.9423 -6.9423 -6.8339 -6.8339 2.1390 2.1390 2.3667 2.3667 3.1257 3.1257 3.1835 3.1835 3.3529 3.3529 3.8829 3.8829 5.4015 5.4015 5.6570 5.6570 5.7515 5.7515 5.8754 5.8754 6.2133 6.2133 6.2528 6.2528 7.6636 7.6636 7.8671 7.8671 8.0271 8.0271 8.1582 8.1582 11.2767 11.2767 12.7383 12.7383 14.2494 14.2494 14.4303 14.4303 k = 0.1000 0.5565 0.2980 ( 2670 PWs) bands (ev): -6.9412 -6.9412 -6.8341 -6.8341 2.1518 2.1518 2.3796 2.3796 3.1323 3.1323 3.1930 3.1930 3.3636 3.3636 3.8829 3.8829 5.3968 5.3968 5.6492 5.6492 5.7521 5.7521 5.8676 5.8676 6.2138 6.2138 6.2525 6.2525 7.6069 7.6069 7.8389 7.8389 7.9850 7.9850 8.1539 8.1539 11.3240 11.3240 12.7771 12.7771 14.2094 14.2094 14.4017 14.4017 k = 0.1125 0.5565 0.2980 ( 2670 PWs) bands (ev): -6.9400 -6.9400 -6.8343 -6.8343 2.1661 2.1661 2.3940 2.3940 3.1394 3.1394 3.2041 3.2041 3.3757 3.3757 3.8826 3.8826 5.3916 5.3916 5.6407 5.6407 5.7522 5.7522 5.8593 5.8593 6.2143 6.2143 6.2521 6.2521 7.5486 7.5486 7.8055 7.8055 7.9410 7.9410 8.1449 8.1449 11.3748 11.3748 12.8164 12.8164 14.1583 14.1583 14.3879 14.3879 k = 0.1250 0.5565 0.2980 ( 2666 PWs) bands (ev): -6.9387 -6.9387 -6.8345 -6.8345 2.1820 2.1820 2.4100 2.4100 3.1466 3.1466 3.2171 3.2171 3.3894 3.3894 3.8821 3.8821 5.3861 5.3861 5.6317 5.6317 5.7517 5.7517 5.8508 5.8508 6.2147 6.2147 6.2515 6.2515 7.4892 7.4892 7.7663 7.7663 7.8964 7.8964 8.1311 8.1311 11.4282 11.4282 12.8539 12.8539 14.1065 14.1065 14.3814 14.3814 k = 0.1375 0.5565 0.2980 ( 2666 PWs) bands (ev): -6.9372 -6.9372 -6.8348 -6.8348 2.1992 2.1992 2.4274 2.4274 3.1540 3.1540 3.2319 3.2319 3.4045 3.4045 3.8812 3.8812 5.3800 5.3800 5.6220 5.6220 5.7505 5.7505 5.8422 5.8422 6.2148 6.2148 6.2507 6.2507 7.4292 7.4292 7.7210 7.7210 7.8524 7.8524 8.1124 8.1124 11.4835 11.4835 12.8868 12.8868 14.0616 14.0616 14.3775 14.3775 k = 0.1500 0.5565 0.2980 ( 2668 PWs) bands (ev): -6.9357 -6.9357 -6.8351 -6.8351 2.2178 2.2178 2.4464 2.4464 3.1613 3.1613 3.2487 3.2487 3.4212 3.4212 3.8797 3.8797 5.3737 5.3737 5.6116 5.6116 5.7485 5.7485 5.8337 5.8337 6.2145 6.2145 6.2497 6.2497 7.3690 7.3690 7.6699 7.6699 7.8092 7.8092 8.0889 8.0889 11.5400 11.5400 12.9124 12.9124 14.0289 14.0289 14.3743 14.3743 k = 0.1625 0.5565 0.2980 ( 2672 PWs) bands (ev): -6.9340 -6.9340 -6.8354 -6.8354 2.2376 2.2376 2.4666 2.4666 3.1686 3.1686 3.2674 3.2674 3.4393 3.4393 3.8777 3.8777 5.3671 5.3671 5.6007 5.6007 5.7459 5.7459 5.8254 5.8254 6.2139 6.2139 6.2486 6.2486 7.3088 7.3088 7.6140 7.6140 7.7667 7.7667 8.0607 8.0607 11.5970 11.5970 12.9279 12.9279 14.0122 14.0122 14.3711 14.3711 k = 0.1750 0.5565 0.2980 ( 2670 PWs) bands (ev): -6.9322 -6.9322 -6.8358 -6.8358 2.2587 2.2587 2.4883 2.4883 3.1756 3.1756 3.2881 3.2881 3.4590 3.4590 3.8750 3.8750 5.3604 5.3604 5.5891 5.5891 5.7426 5.7426 5.8177 5.8177 6.2128 6.2128 6.2473 6.2473 7.2491 7.2491 7.5543 7.5543 7.7242 7.7242 8.0281 8.0281 11.6538 11.6538 12.9315 12.9315 14.0137 14.0137 14.3681 14.3681 k = 0.1875 0.5565 0.2980 ( 2668 PWs) bands (ev): -6.9303 -6.9303 -6.8363 -6.8363 2.2809 2.2809 2.5111 2.5111 3.1824 3.1824 3.3107 3.3107 3.4802 3.4802 3.8715 3.8715 5.3534 5.3534 5.5769 5.5769 5.7386 5.7386 5.8104 5.8104 6.2111 6.2111 6.2461 6.2461 7.1902 7.1902 7.4919 7.4919 7.6815 7.6815 7.9913 7.9913 11.7098 11.7098 12.9228 12.9228 14.0341 14.0341 14.3659 14.3659 k = 0.2000 0.5565 0.2980 ( 2672 PWs) bands (ev): -6.9283 -6.9283 -6.8368 -6.8368 2.3041 2.3041 2.5352 2.5352 3.1888 3.1888 3.3353 3.3353 3.5029 3.5029 3.8671 3.8671 5.3462 5.3462 5.5640 5.5640 5.7342 5.7342 5.8036 5.8036 6.2086 6.2086 6.2448 6.2448 7.1324 7.1324 7.4276 7.4276 7.6382 7.6382 7.9506 7.9506 11.7644 11.7644 12.9029 12.9029 14.0718 14.0718 14.3654 14.3654 k = 0.2125 0.5565 0.2980 ( 2674 PWs) bands (ev): -6.9262 -6.9262 -6.8373 -6.8373 2.3283 2.3283 2.5603 2.5603 3.1948 3.1948 3.3617 3.3617 3.5271 3.5271 3.8618 3.8618 5.3389 5.3389 5.5505 5.5505 5.7295 5.7295 5.7973 5.7973 6.2054 6.2054 6.2435 6.2435 7.0759 7.0759 7.3620 7.3620 7.5943 7.5943 7.9063 7.9063 11.8170 11.8170 12.8739 12.8739 14.1243 14.1243 14.3679 14.3679 k = 0.2250 0.5565 0.2980 ( 2674 PWs) bands (ev): -6.9240 -6.9240 -6.8379 -6.8379 2.3534 2.3534 2.5865 2.5865 3.2002 3.2002 3.3899 3.3899 3.5529 3.5529 3.8554 3.8554 5.3316 5.3316 5.5364 5.5364 5.7248 5.7248 5.7913 5.7913 6.2013 6.2013 6.2422 6.2422 7.0210 7.0210 7.2957 7.2957 7.5497 7.5497 7.8587 7.8587 11.8671 11.8671 12.8384 12.8384 14.1881 14.1881 14.3748 14.3748 k = 0.2375 0.5565 0.2980 ( 2674 PWs) bands (ev): -6.9218 -6.9218 -6.8386 -6.8386 2.3792 2.3792 2.6137 2.6137 3.2050 3.2050 3.4198 3.4198 3.5800 3.5800 3.8480 3.8480 5.3243 5.3243 5.5217 5.5217 5.7203 5.7203 5.7857 5.7857 6.1963 6.1963 6.2410 6.2410 6.9678 6.9678 7.2290 7.2290 7.5047 7.5047 7.8083 7.8083 11.9143 11.9143 12.7987 12.7987 14.2580 14.2580 14.3893 14.3893 k = 0.2500 0.5565 0.2980 ( 2674 PWs) bands (ev): -6.9195 -6.9195 -6.8393 -6.8393 2.4058 2.4058 2.6417 2.6417 3.2091 3.2091 3.4514 3.4514 3.6085 3.6085 3.8394 3.8394 5.3171 5.3171 5.5064 5.5064 5.7162 5.7162 5.7803 5.7803 6.1904 6.1904 6.2397 6.2397 6.9166 6.9166 7.1623 7.1623 7.4593 7.4593 7.7554 7.7554 11.9582 11.9582 12.7567 12.7567 14.3243 14.3243 14.4197 14.4197 k = 0.2625 0.5565 0.2980 ( 2676 PWs) bands (ev): -6.9171 -6.9171 -6.8401 -6.8401 2.4329 2.4329 2.6705 2.6705 3.2124 3.2124 3.4843 3.4843 3.6384 3.6384 3.8297 3.8297 5.3099 5.3099 5.4908 5.4908 5.7125 5.7125 5.7750 5.7750 6.1836 6.1836 6.2383 6.2383 6.8673 6.8673 7.0958 7.0958 7.4139 7.4139 7.7006 7.7006 11.9985 11.9985 12.7138 12.7138 14.3721 14.3721 14.4793 14.4793 k = 0.2750 0.5565 0.2980 ( 2672 PWs) bands (ev): -6.9147 -6.9147 -6.8409 -6.8409 2.4606 2.4606 2.7000 2.7000 3.2149 3.2149 3.5185 3.5185 3.6693 3.6693 3.8189 3.8189 5.3029 5.3029 5.4748 5.4748 5.7095 5.7095 5.7700 5.7700 6.1761 6.1761 6.2369 6.2369 6.8202 6.8202 7.0298 7.0298 7.3687 7.3687 7.6443 7.6443 12.0351 12.0351 12.6713 12.6713 14.4065 14.4065 14.5619 14.5619 k = 0.2875 0.5565 0.2980 ( 2670 PWs) bands (ev): -6.9122 -6.9122 -6.8418 -6.8418 2.4888 2.4888 2.7301 2.7301 3.2163 3.2163 3.5535 3.5535 3.7014 3.7014 3.8072 3.8072 5.2960 5.2960 5.4585 5.4585 5.7071 5.7071 5.7650 5.7650 6.1676 6.1676 6.2353 6.2353 6.7752 6.7752 6.9645 6.9645 7.3240 7.3240 7.5870 7.5870 12.0679 12.0679 12.6299 12.6299 14.4400 14.4400 14.6539 14.6539 k = 0.3000 0.5565 0.2980 ( 2674 PWs) bands (ev): -6.9096 -6.9096 -6.8428 -6.8428 2.5174 2.5174 2.7607 2.7607 3.2168 3.2168 3.5886 3.5886 3.7343 3.7343 3.7952 3.7952 5.2894 5.2894 5.4420 5.4420 5.7054 5.7054 5.7603 5.7603 6.1584 6.1584 6.2336 6.2336 6.7323 6.7323 6.9001 6.9001 7.2802 7.2802 7.5291 7.5291 12.0968 12.0968 12.5901 12.5901 14.4772 14.4772 14.7497 14.7497 k = 0.3125 0.5565 0.2980 ( 2668 PWs) bands (ev): -6.9071 -6.9071 -6.8439 -6.8439 2.5463 2.5463 2.7917 2.7917 3.2163 3.2163 3.6226 3.6226 3.7675 3.7675 3.7841 3.7841 5.2831 5.2831 5.4255 5.4255 5.7045 5.7045 5.7557 5.7557 6.1484 6.1484 6.2318 6.2318 6.6915 6.6915 6.8369 6.8369 7.2376 7.2376 7.4714 7.4714 12.1219 12.1219 12.5523 12.5523 14.5194 14.5194 14.8470 14.8470 k = 0.3250 0.5565 0.2980 ( 2668 PWs) bands (ev): -6.9045 -6.9045 -6.8450 -6.8450 2.5754 2.5754 2.8228 2.8228 3.2147 3.2147 3.6525 3.6525 3.7753 3.7753 3.8024 3.8024 5.2771 5.2771 5.4091 5.4091 5.7041 5.7041 5.7514 5.7514 6.1376 6.1376 6.2300 6.2300 6.6526 6.6526 6.7753 6.7753 7.1966 7.1966 7.4144 7.4144 12.1435 12.1435 12.5167 12.5167 14.5671 14.5671 14.9441 14.9441 k = 0.3375 0.5565 0.2980 ( 2668 PWs) bands (ev): -6.9019 -6.9019 -6.8462 -6.8462 2.6046 2.6046 2.8539 2.8539 3.2123 3.2123 3.6716 3.6716 3.7772 3.7772 3.8366 3.8366 5.2714 5.2714 5.3930 5.3930 5.7041 5.7041 5.7474 5.7474 6.1263 6.1263 6.2281 6.2281 6.6153 6.6153 6.7155 6.7155 7.1574 7.1574 7.3585 7.3585 12.1618 12.1618 12.4836 12.4836 14.6202 14.6202 15.0401 15.0401 k = 0.3500 0.5565 0.2980 ( 2668 PWs) bands (ev): -6.8992 -6.8992 -6.8475 -6.8475 2.6340 2.6340 2.8848 2.8848 3.2091 3.2091 3.6737 3.6737 3.7948 3.7948 3.8707 3.8707 5.2662 5.2662 5.3772 5.3772 5.7045 5.7045 5.7439 5.7439 6.1145 6.1145 6.2263 6.2263 6.5792 6.5792 6.6583 6.6583 7.1204 7.1204 7.3043 7.3043 12.1770 12.1770 12.4529 12.4529 14.6785 14.6785 15.1338 15.1338 k = 0.3625 0.5565 0.2980 ( 2672 PWs) bands (ev): -6.8966 -6.8966 -6.8489 -6.8489 2.6633 2.6633 2.9149 2.9149 3.2054 3.2054 3.6624 3.6624 3.8243 3.8243 3.9045 3.9045 5.2615 5.2615 5.3619 5.3619 5.7048 5.7048 5.7408 5.7408 6.1024 6.1024 6.2246 6.2246 6.5432 6.5432 6.6048 6.6048 7.0858 7.0858 7.2525 7.2525 12.1896 12.1896 12.4247 12.4247 14.7416 14.7416 15.2243 15.2243 k = 0.3750 0.5565 0.2980 ( 2672 PWs) bands (ev): -6.8940 -6.8940 -6.8503 -6.8503 2.6926 2.6926 2.9438 2.9438 3.2017 3.2017 3.6441 3.6441 3.8588 3.8588 3.9374 3.9374 5.2574 5.2574 5.3472 5.3472 5.7051 5.7051 5.7385 5.7385 6.0903 6.0903 6.2230 6.2230 6.5058 6.5058 6.5570 6.5570 7.0541 7.0541 7.2033 7.2033 12.2000 12.2000 12.3989 12.3989 14.8093 14.8093 15.3104 15.3104 k = 0.3875 0.5565 0.2980 ( 2670 PWs) bands (ev): -6.8914 -6.8914 -6.8519 -6.8519 2.7217 2.7217 2.9705 2.9705 3.1989 3.1989 3.6220 3.6220 3.8949 3.8949 3.9690 3.9690 5.2538 5.2538 5.3333 5.3333 5.7049 5.7049 5.7367 5.7367 6.0787 6.0787 6.2216 6.2216 6.4654 6.4654 6.5169 6.5169 7.0253 7.0253 7.1574 7.1574 12.2084 12.2084 12.3756 12.3756 14.8809 14.8809 15.3911 15.3911 k = 0.4000 0.5565 0.2980 ( 2674 PWs) bands (ev): -6.8888 -6.8888 -6.8535 -6.8535 2.7505 2.7505 2.9936 2.9936 3.1983 3.1983 3.5975 3.5975 3.9307 3.9307 3.9988 3.9988 5.2508 5.2508 5.3202 5.3202 5.7042 5.7042 5.7354 5.7354 6.0682 6.0682 6.2199 6.2199 6.4231 6.4231 6.4836 6.4836 6.9998 6.9998 7.1151 7.1151 12.2153 12.2153 12.3545 12.3545 14.9559 14.9559 15.4649 15.4649 k = 0.4125 0.5565 0.2980 ( 2668 PWs) bands (ev): -6.8862 -6.8862 -6.8552 -6.8552 2.7790 2.7790 3.0114 3.0114 3.2016 3.2016 3.5712 3.5712 3.9652 3.9652 4.0264 4.0264 5.2486 5.2486 5.3081 5.3081 5.7033 5.7033 5.7343 5.7343 6.0593 6.0593 6.2175 6.2175 6.3824 6.3824 6.4550 6.4550 6.9776 6.9776 7.0768 7.0768 12.2210 12.2210 12.3357 12.3357 15.0337 15.0337 15.5304 15.5304 k = 0.4250 0.5565 0.2980 ( 2664 PWs) bands (ev): -6.8836 -6.8836 -6.8569 -6.8569 2.8071 2.8071 3.0220 3.0220 3.2106 3.2106 3.5435 3.5435 3.9977 3.9977 4.0512 4.0512 5.2470 5.2470 5.2971 5.2971 5.7024 5.7024 5.7329 5.7329 6.0530 6.0530 6.2129 6.2129 6.3467 6.3467 6.4294 6.4294 6.9590 6.9590 7.0425 7.0425 12.2259 12.2259 12.3190 12.3190 15.1136 15.1136 15.5854 15.5854 k = 0.4375 0.5565 0.2980 ( 2664 PWs) bands (ev): -6.8811 -6.8811 -6.8588 -6.8588 2.8345 2.8345 3.0247 3.0247 3.2260 3.2260 3.5147 3.5147 4.0272 4.0272 4.0726 4.0726 5.2461 5.2461 5.2871 5.2871 5.7017 5.7017 5.7308 5.7308 6.0498 6.0498 6.2036 6.2036 6.3194 6.3194 6.4060 6.4060 6.9440 6.9440 7.0124 7.0124 12.2304 12.2304 12.3042 12.3042 15.1947 15.1947 15.6277 15.6277 k = 0.4500 0.5565 0.2980 ( 2662 PWs) bands (ev): -6.8786 -6.8786 -6.8607 -6.8607 2.8613 2.8613 3.0202 3.0202 3.2471 3.2471 3.4850 3.4850 4.0534 4.0534 4.0902 4.0902 5.2460 5.2460 5.2782 5.2782 5.7016 5.7016 5.7278 5.7278 6.0505 6.0505 6.1874 6.1874 6.3034 6.3034 6.3846 6.3846 6.9328 6.9328 6.9868 6.9868 12.2346 12.2346 12.2913 12.2913 15.2760 15.2760 15.6543 15.6543 k = 0.4625 0.5565 0.2980 ( 2666 PWs) bands (ev): -6.8762 -6.8762 -6.8627 -6.8627 2.8872 2.8872 3.0099 3.0099 3.2725 3.2725 3.4545 3.4545 4.0754 4.0754 4.1033 4.1033 5.2467 5.2467 5.2705 5.2705 5.7023 5.7023 5.7239 5.7239 6.0555 6.0555 6.1655 6.1655 6.2981 6.2981 6.3651 6.3651 6.9255 6.9255 6.9654 6.9654 12.2390 12.2390 12.2801 12.2801 15.3560 15.3560 15.6623 15.6623 k = 0.4750 0.5565 0.2980 ( 2668 PWs) bands (ev): -6.8738 -6.8738 -6.8648 -6.8648 2.9120 2.9120 2.9954 2.9954 3.3007 3.3007 3.4235 3.4235 4.0930 4.0930 4.1117 4.1117 5.2483 5.2483 5.2639 5.2639 5.7040 5.7040 5.7194 5.7194 6.0650 6.0650 6.1412 6.1412 6.3005 6.3005 6.3474 6.3474 6.9220 6.9220 6.9484 6.9484 12.2437 12.2437 12.2704 12.2704 15.4331 15.4331 15.6499 15.6499 k = 0.4875 0.5565 0.2980 ( 2666 PWs) bands (ev): -6.8714 -6.8714 -6.8669 -6.8669 2.9356 2.9356 2.9777 2.9777 3.3305 3.3305 3.3924 3.3924 4.1055 4.1055 4.1150 4.1150 5.2507 5.2507 5.2585 5.2585 5.7068 5.7068 5.7148 5.7148 6.0788 6.0788 6.1177 6.1177 6.3077 6.3077 6.3318 6.3318 6.9225 6.9225 6.9356 6.9356 12.2489 12.2489 12.2621 12.2621 15.5047 15.5047 15.6173 15.6173 k = 0.5000 0.5565 0.2980 ( 2668 PWs) bands (ev): -6.8692 -6.8692 -6.8692 -6.8692 2.9576 2.9576 2.9576 2.9576 3.3612 3.3612 3.3612 3.3612 4.1129 4.1129 4.1129 4.1129 5.2541 5.2541 5.2541 5.2541 5.7104 5.7104 5.7104 5.7104 6.0965 6.0965 6.0965 6.0965 6.3184 6.3184 6.3184 6.3184 6.9270 6.9270 6.9270 6.9270 12.2550 12.2550 12.2550 12.2550 15.5675 15.5675 15.5675 15.5675 k = 0.5000 0.5565 0.2980 ( 2668 PWs) bands (ev): -6.8692 -6.8692 -6.8692 -6.8692 2.9576 2.9576 2.9576 2.9576 3.3612 3.3612 3.3612 3.3612 4.1129 4.1129 4.1129 4.1129 5.2541 5.2541 5.2541 5.2541 5.7104 5.7104 5.7104 5.7104 6.0965 6.0965 6.0965 6.0965 6.3184 6.3184 6.3184 6.3184 6.9270 6.9270 6.9270 6.9270 12.2550 12.2550 12.2550 12.2550 15.5675 15.5675 15.5675 15.5675 k = 0.5000 0.5620 0.2877 ( 2668 PWs) bands (ev): -6.8693 -6.8693 -6.8692 -6.8692 2.9579 2.9579 2.9579 2.9579 3.3601 3.3601 3.3617 3.3617 4.1141 4.1141 4.1141 4.1141 5.2523 5.2523 5.2556 5.2556 5.7083 5.7083 5.7123 5.7123 6.0895 6.0895 6.1021 6.1021 6.3157 6.3157 6.3213 6.3213 6.9190 6.9190 6.9358 6.9358 12.2522 12.2522 12.2538 12.2538 15.5353 15.5353 15.5771 15.5771 k = 0.5000 0.5675 0.2775 ( 2670 PWs) bands (ev): -6.8696 -6.8696 -6.8695 -6.8695 2.9586 2.9586 2.9587 2.9587 3.3585 3.3585 3.3617 3.3617 4.1177 4.1177 4.1178 4.1178 5.2501 5.2501 5.2569 5.2569 5.7058 5.7058 5.7138 5.7138 6.0812 6.0812 6.1065 6.1065 6.3131 6.3131 6.3240 6.3240 6.9119 6.9119 6.9453 6.9453 12.2452 12.2452 12.2485 12.2485 15.4867 15.4867 15.5623 15.5623 k = 0.5000 0.5730 0.2672 ( 2670 PWs) bands (ev): -6.8702 -6.8702 -6.8701 -6.8701 2.9599 2.9599 2.9600 2.9600 3.3565 3.3565 3.3613 3.3613 4.1237 4.1237 4.1237 4.1237 5.2477 5.2477 5.2580 5.2580 5.7030 5.7030 5.7151 5.7151 6.0716 6.0716 6.1096 6.1096 6.3108 6.3108 6.3266 6.3266 6.9059 6.9059 6.9554 6.9554 12.2342 12.2342 12.2391 12.2391 15.4286 15.4286 15.5278 15.5278 k = 0.5000 0.5785 0.2569 ( 2672 PWs) bands (ev): -6.8709 -6.8709 -6.8708 -6.8708 2.9615 2.9615 2.9617 2.9617 3.3543 3.3543 3.3606 3.3606 4.1317 4.1317 4.1320 4.1320 5.2448 5.2448 5.2589 5.2589 5.6998 5.6998 5.7162 5.7162 6.0608 6.0608 6.1115 6.1115 6.3088 6.3088 6.3289 6.3289 6.9009 6.9009 6.9659 6.9659 12.2191 12.2191 12.2255 12.2255 15.3663 15.3663 15.4805 15.4805 k = 0.5000 0.5840 0.2467 ( 2672 PWs) bands (ev): -6.8719 -6.8719 -6.8717 -6.8717 2.9635 2.9635 2.9637 2.9637 3.3520 3.3520 3.3597 3.3597 4.1417 4.1417 4.1426 4.1426 5.2414 5.2414 5.2595 5.2595 5.6962 5.6962 5.7170 5.7170 6.0489 6.0489 6.1123 6.1123 6.3073 6.3073 6.3309 6.3309 6.8968 6.8968 6.9766 6.9766 12.2000 12.2000 12.2077 12.2077 15.3033 15.3033 15.4267 15.4267 k = 0.5000 0.5895 0.2364 ( 2672 PWs) bands (ev): -6.8731 -6.8731 -6.8728 -6.8728 2.9657 2.9657 2.9660 2.9660 3.3500 3.3500 3.3590 3.3590 4.1536 4.1536 4.1551 4.1551 5.2375 5.2375 5.2599 5.2599 5.6923 5.6923 5.7176 5.7176 6.0361 6.0361 6.1122 6.1122 6.3063 6.3063 6.3326 6.3326 6.8938 6.8938 6.9874 6.9874 12.1769 12.1769 12.1858 12.1858 15.2422 15.2422 15.3709 15.3709 k = 0.5000 0.5950 0.2261 ( 2670 PWs) bands (ev): -6.8745 -6.8745 -6.8742 -6.8742 2.9679 2.9679 2.9684 2.9684 3.3484 3.3484 3.3588 3.3588 4.1670 4.1670 4.1695 4.1695 5.2330 5.2330 5.2599 5.2599 5.6879 5.6879 5.7179 5.7179 6.0227 6.0227 6.1112 6.1112 6.3058 6.3058 6.3340 6.3340 6.8916 6.8916 6.9981 6.9981 12.1499 12.1499 12.1599 12.1599 15.1846 15.1846 15.3161 15.3161 k = 0.5000 0.6005 0.2158 ( 2668 PWs) bands (ev): -6.8760 -6.8760 -6.8757 -6.8757 2.9701 2.9701 2.9707 2.9707 3.3477 3.3477 3.3592 3.3592 4.1819 4.1819 4.1857 4.1857 5.2277 5.2277 5.2597 5.2597 5.6831 5.6831 5.7180 5.7180 6.0088 6.0088 6.1093 6.1093 6.3058 6.3058 6.3352 6.3352 6.8901 6.8901 7.0085 7.0085 12.1191 12.1191 12.1300 12.1300 15.1314 15.1314 15.2642 15.2642 k = 0.5000 0.6005 0.2158 ( 2668 PWs) bands (ev): -6.8760 -6.8760 -6.8757 -6.8757 2.9701 2.9701 2.9707 2.9707 3.3477 3.3477 3.3592 3.3592 4.1819 4.1819 4.1857 4.1857 5.2277 5.2277 5.2597 5.2597 5.6831 5.6831 5.7180 5.7180 6.0088 6.0088 6.1093 6.1093 6.3058 6.3058 6.3352 6.3352 6.8901 6.8901 7.0085 7.0085 12.1191 12.1191 12.1300 12.1300 15.1314 15.1314 15.2642 15.2642 k = 0.5000 0.5986 0.2034 ( 2666 PWs) bands (ev): -6.8774 -6.8774 -6.8770 -6.8770 2.9765 2.9765 2.9779 2.9779 3.3555 3.3555 3.3655 3.3655 4.2050 4.2050 4.2103 4.2103 5.2203 5.2203 5.2539 5.2539 5.6810 5.6810 5.7144 5.7144 5.9995 5.9995 6.1083 6.1083 6.2965 6.2965 6.3267 6.3267 6.8733 6.8733 7.0023 7.0023 12.0577 12.0577 12.0687 12.0687 15.1070 15.1070 15.2374 15.2374 k = 0.5000 0.5968 0.1910 ( 2664 PWs) bands (ev): -6.8789 -6.8789 -6.8785 -6.8785 2.9816 2.9816 2.9848 2.9848 3.3673 3.3673 3.3761 3.3761 4.2298 4.2298 4.2367 4.2367 5.2114 5.2114 5.2471 5.2471 5.6784 5.6784 5.7108 5.7108 5.9891 5.9891 6.1071 6.1071 6.2873 6.2873 6.3170 6.3170 6.8548 6.8548 6.9937 6.9937 11.9890 11.9890 11.9999 11.9999 15.0905 15.0905 15.2177 15.2177 k = 0.5000 0.5950 0.1786 ( 2668 PWs) bands (ev): -6.8806 -6.8806 -6.8802 -6.8802 2.9857 2.9857 2.9904 2.9904 3.3833 3.3833 3.3911 3.3911 4.2560 4.2560 4.2649 4.2649 5.2011 5.2011 5.2391 5.2391 5.6755 5.6755 5.7071 5.7071 5.9777 5.9777 6.1056 6.1056 6.2782 6.2782 6.3064 6.3064 6.8346 6.8346 6.9829 6.9829 11.9144 11.9144 11.9249 11.9249 15.0815 15.0815 15.2048 15.2048 k = 0.5000 0.5931 0.1662 ( 2670 PWs) bands (ev): -6.8825 -6.8825 -6.8821 -6.8821 2.9887 2.9887 2.9947 2.9947 3.4036 3.4036 3.4107 3.4107 4.2836 4.2836 4.2946 4.2946 5.1893 5.1893 5.2302 5.2302 5.6722 5.6722 5.7035 5.7035 5.9652 5.9652 6.1037 6.1037 6.2694 6.2694 6.2949 6.2949 6.8129 6.8129 6.9698 6.9698 11.8351 11.8351 11.8451 11.8451 15.0792 15.0792 15.1980 15.1980 k = 0.5000 0.5913 0.1538 ( 2670 PWs) bands (ev): -6.8845 -6.8845 -6.8841 -6.8841 2.9906 2.9906 2.9975 2.9975 3.4280 3.4280 3.4348 3.4348 4.3124 4.3124 4.3257 4.3257 5.1760 5.1760 5.2201 5.2201 5.6686 5.6686 5.6999 5.6999 5.9518 5.9518 6.1015 6.1015 6.2611 6.2611 6.2827 6.2827 6.7898 6.7898 6.9546 6.9546 11.7524 11.7524 11.7619 11.7619 15.0828 15.0828 15.1969 15.1969 k = 0.5000 0.5895 0.1413 ( 2670 PWs) bands (ev): -6.8867 -6.8867 -6.8862 -6.8862 2.9915 2.9915 2.9990 2.9990 3.4564 3.4564 3.4632 3.4632 4.3420 4.3420 4.3580 4.3580 5.1614 5.1614 5.2090 5.2090 5.6647 5.6647 5.6964 5.6964 5.9374 5.9374 6.0987 6.0987 6.2532 6.2532 6.2701 6.2701 6.7654 6.7654 6.9372 6.9372 11.6677 11.6677 11.6765 11.6765 15.0917 15.0917 15.2006 15.2006 k = 0.5000 0.5876 0.1289 ( 2672 PWs) bands (ev): -6.8889 -6.8889 -6.8884 -6.8884 2.9914 2.9914 2.9992 2.9992 3.4884 3.4884 3.4956 3.4956 4.3723 4.3723 4.3914 4.3914 5.1453 5.1453 5.1970 5.1970 5.6605 5.6605 5.6929 5.6929 5.9223 5.9223 6.0953 6.0953 6.2458 6.2458 6.2573 6.2573 6.7398 6.7398 6.9178 6.9178 11.5819 11.5819 11.5902 11.5902 15.1049 15.1049 15.2085 15.2085 k = 0.5000 0.5858 0.1165 ( 2678 PWs) bands (ev): -6.8912 -6.8912 -6.8907 -6.8907 2.9906 2.9906 2.9985 2.9985 3.5238 3.5238 3.5315 3.5315 4.4030 4.4030 4.4255 4.4255 5.1279 5.1279 5.1840 5.1840 5.6561 5.6561 5.6895 5.6895 5.9066 5.9066 6.0912 6.0912 6.2390 6.2390 6.2443 6.2443 6.7133 6.7133 6.8963 6.8963 11.4963 11.4963 11.5041 11.5041 15.1218 15.1218 15.2199 15.2199 k = 0.5000 0.5840 0.1041 ( 2670 PWs) bands (ev): -6.8935 -6.8935 -6.8930 -6.8930 2.9892 2.9892 2.9971 2.9971 3.5621 3.5621 3.5706 3.5706 4.4337 4.4337 4.4601 4.4601 5.1094 5.1094 5.1704 5.1704 5.6516 5.6516 5.6861 5.6861 5.8905 5.8905 6.0861 6.0861 6.2316 6.2316 6.2327 6.2327 6.6862 6.6862 6.8730 6.8730 11.4119 11.4119 11.4191 11.4191 15.1417 15.1417 15.2342 15.2342 k = 0.5000 0.5821 0.0917 ( 2672 PWs) bands (ev): -6.8958 -6.8958 -6.8954 -6.8954 2.9874 2.9874 2.9951 2.9951 3.6029 3.6029 3.6122 3.6122 4.4641 4.4641 4.4949 4.4949 5.0899 5.0899 5.1560 5.1560 5.6469 5.6469 5.6827 5.6827 5.8743 5.8743 6.0797 6.0797 6.2193 6.2193 6.2268 6.2268 6.6587 6.6587 6.8480 6.8480 11.3294 11.3294 11.3361 11.3361 15.1639 15.1639 15.2507 15.2507 k = 0.5000 0.5803 0.0793 ( 2668 PWs) bands (ev): -6.8981 -6.8981 -6.8977 -6.8977 2.9853 2.9853 2.9927 2.9927 3.6459 3.6459 3.6561 3.6561 4.4938 4.4938 4.5294 4.5294 5.0698 5.0698 5.1414 5.1414 5.6422 5.6422 5.6792 5.6792 5.8582 5.8582 6.0720 6.0720 6.2077 6.2077 6.2215 6.2215 6.6312 6.6312 6.8214 6.8214 11.2498 11.2498 11.2561 11.2561 15.1878 15.1878 15.2689 15.2689 k = 0.5000 0.5785 0.0668 ( 2668 PWs) bands (ev): -6.9004 -6.9004 -6.9000 -6.9000 2.9831 2.9831 2.9900 2.9900 3.6906 3.6906 3.7016 3.7016 4.5221 4.5221 4.5629 4.5629 5.0496 5.0496 5.1266 5.1266 5.6374 5.6374 5.6756 5.6756 5.8427 5.8427 6.0625 6.0625 6.1971 6.1971 6.2165 6.2165 6.6042 6.6042 6.7935 6.7935 11.1738 11.1738 11.1796 11.1796 15.2128 15.2128 15.2882 15.2882 k = 0.5000 0.5766 0.0544 ( 2668 PWs) bands (ev): -6.9026 -6.9026 -6.9022 -6.9022 2.9809 2.9809 2.9873 2.9873 3.7365 3.7365 3.7483 3.7483 4.5485 4.5485 4.5947 4.5947 5.0298 5.0298 5.1122 5.1122 5.6328 5.6328 5.6716 5.6716 5.8281 5.8281 6.0510 6.0510 6.1877 6.1877 6.2119 6.2119 6.5782 6.5782 6.7644 6.7644 11.1019 11.1019 11.1073 11.1073 15.2385 15.2385 15.3080 15.3080 k = 0.5000 0.5748 0.0420 ( 2670 PWs) bands (ev): -6.9046 -6.9046 -6.9043 -6.9043 2.9786 2.9786 2.9846 2.9846 3.7831 3.7831 3.7956 3.7956 4.5721 4.5721 4.6236 4.6236 5.0116 5.0116 5.0986 5.0986 5.6282 5.6282 5.6671 5.6671 5.8149 5.8149 6.0373 6.0373 6.1795 6.1795 6.2075 6.2075 6.5537 6.5537 6.7346 6.7346 11.0347 11.0347 11.0397 11.0397 15.2643 15.2643 15.3279 15.3279 k = 0.5000 0.5730 0.0296 ( 2670 PWs) bands (ev): -6.9066 -6.9066 -6.9063 -6.9063 2.9765 2.9765 2.9819 2.9819 3.8301 3.8301 3.8430 3.8430 4.5923 4.5923 4.6480 4.6480 4.9963 4.9963 5.0865 5.0865 5.6239 5.6239 5.6620 5.6620 5.8036 5.8036 6.0213 6.0213 6.1729 6.1729 6.2034 6.2034 6.5313 6.5313 6.7044 6.7044 10.9728 10.9728 10.9774 10.9774 15.2897 15.2897 15.3473 15.3473 k = 0.5000 0.5711 0.0172 ( 2672 PWs) bands (ev): -6.9084 -6.9084 -6.9081 -6.9081 2.9746 2.9746 2.9793 2.9793 3.8768 3.8768 3.8899 3.8899 4.6083 4.6083 4.6662 4.6662 4.9856 4.9856 5.0763 5.0763 5.6197 5.6197 5.6562 5.6562 5.7945 5.7945 6.0031 6.0031 6.1677 6.1677 6.1995 6.1995 6.5115 6.5115 6.6740 6.6740 10.9164 10.9164 10.9206 10.9206 15.3143 15.3143 15.3658 15.3658 k = 0.5000 0.5693 0.0048 ( 2674 PWs) bands (ev): -6.9101 -6.9101 -6.9098 -6.9098 2.9728 2.9728 2.9770 2.9770 3.9225 3.9225 3.9355 3.9355 4.6195 4.6195 4.6766 4.6766 4.9809 4.9809 5.0686 5.0686 5.6159 5.6159 5.6496 5.6496 5.7881 5.7881 5.9828 5.9828 6.1640 6.1640 6.1957 6.1957 6.4948 6.4948 6.6441 6.6441 10.8661 10.8661 10.8698 10.8698 15.3376 15.3376 15.3829 15.3829 k = 0.5000 0.5675-0.0077 ( 2674 PWs) bands (ev): -6.9115 -6.9115 -6.9113 -6.9113 2.9712 2.9712 2.9748 2.9748 3.9665 3.9665 3.9791 3.9791 4.6257 4.6257 4.6784 4.6784 4.9830 4.9830 5.0634 5.0634 5.6125 5.6125 5.6424 5.6424 5.7847 5.7847 5.9609 5.9609 6.1617 6.1617 6.1920 6.1920 6.4815 6.4815 6.6150 6.6150 10.8219 10.8219 10.8252 10.8252 15.3592 15.3592 15.3983 15.3983 k = 0.5000 0.5656-0.0201 ( 2674 PWs) bands (ev): -6.9128 -6.9128 -6.9126 -6.9126 2.9699 2.9699 2.9729 2.9729 4.0079 4.0079 4.0195 4.0195 4.6272 4.6272 4.6725 4.6725 4.9909 4.9909 5.0605 5.0605 5.6095 5.6095 5.6349 5.6349 5.7844 5.7844 5.9379 5.9379 6.1607 6.1607 6.1882 6.1882 6.4720 6.4720 6.5872 6.5872 10.7843 10.7843 10.7871 10.7871 15.3787 15.3787 15.4115 15.4115 k = 0.5000 0.5638-0.0325 ( 2676 PWs) bands (ev): -6.9139 -6.9139 -6.9137 -6.9137 2.9689 2.9689 2.9713 2.9713 4.0454 4.0454 4.0557 4.0557 4.6251 4.6251 4.6613 4.6613 5.0028 5.0028 5.0592 5.0592 5.6071 5.6071 5.6276 5.6276 5.7873 5.7873 5.9144 5.9144 6.1608 6.1608 6.1845 6.1845 6.4664 6.4664 6.5612 6.5612 10.7533 10.7533 10.7556 10.7556 15.3958 15.3958 15.4222 15.4222 k = 0.5000 0.5620-0.0449 ( 2686 PWs) bands (ev): -6.9147 -6.9147 -6.9146 -6.9146 2.9681 2.9681 2.9699 2.9699 4.0778 4.0778 4.0861 4.0861 4.6210 4.6210 4.6476 4.6476 5.0161 5.0161 5.0585 5.0585 5.6055 5.6055 5.6207 5.6207 5.7934 5.7934 5.8912 5.8912 6.1620 6.1620 6.1808 6.1808 6.4649 6.4649 6.5375 6.5375 10.7291 10.7291 10.7309 10.7309 15.4102 15.4102 15.4300 15.4300 k = 0.5000 0.5601-0.0573 ( 2688 PWs) bands (ev): -6.9153 -6.9153 -6.9152 -6.9152 2.9677 2.9677 2.9689 2.9689 4.1032 4.1032 4.1091 4.1091 4.6168 4.6168 4.6341 4.6341 5.0291 5.0291 5.0571 5.0571 5.6049 5.6049 5.6149 5.6149 5.8027 5.8027 5.8691 5.8691 6.1640 6.1640 6.1770 6.1770 6.4674 6.4674 6.5166 6.5166 10.7119 10.7119 10.7130 10.7130 15.4216 15.4216 15.4349 15.4349 k = 0.5000 0.5583-0.0698 ( 2678 PWs) bands (ev): -6.9156 -6.9156 -6.9156 -6.9156 2.9675 2.9675 2.9681 2.9681 4.1201 4.1201 4.1232 4.1232 4.6148 4.6148 4.6233 4.6233 5.0402 5.0402 5.0542 5.0542 5.6054 5.6054 5.6104 5.6104 5.8152 5.8152 5.8487 5.8487 6.1668 6.1668 6.1734 6.1734 6.4740 6.4740 6.4988 6.4988 10.7016 10.7016 10.7022 10.7022 15.4299 15.4299 15.4365 15.4365 k = 0.5000 0.5565-0.0822 ( 2676 PWs) bands (ev): -6.9157 -6.9157 -6.9157 -6.9157 2.9677 2.9677 2.9677 2.9677 4.1270 4.1270 4.1270 4.1270 4.6167 4.6167 4.6167 4.6167 5.0486 5.0486 5.0486 5.0486 5.6072 5.6072 5.6072 5.6072 5.8306 5.8306 5.8306 5.8306 6.1699 6.1699 6.1699 6.1699 6.4846 6.4846 6.4846 6.4846 10.6984 10.6984 10.6984 10.6984 15.4348 15.4348 15.4348 15.4348 k = 0.5000 0.5565-0.0822 ( 2676 PWs) bands (ev): -6.9157 -6.9157 -6.9157 -6.9157 2.9677 2.9677 2.9677 2.9677 4.1270 4.1270 4.1270 4.1270 4.6167 4.6167 4.6167 4.6167 5.0486 5.0486 5.0486 5.0486 5.6072 5.6072 5.6072 5.6072 5.8306 5.8306 5.8306 5.8306 6.1699 6.1699 6.1699 6.1699 6.4846 6.4846 6.4846 6.4846 10.6984 10.6984 10.6984 10.6984 15.4348 15.4348 15.4348 15.4348 k = 0.4875 0.5565-0.0822 ( 2678 PWs) bands (ev): -6.9186 -6.9186 -6.9129 -6.9129 2.9625 2.9625 2.9713 2.9713 4.1047 4.1047 4.1487 4.1487 4.6062 4.6062 4.6205 4.6205 5.0385 5.0385 5.0592 5.0592 5.5968 5.5968 5.6202 5.6202 5.8238 5.8238 5.8392 5.8392 6.1623 6.1623 6.1814 6.1814 6.4566 6.4566 6.5151 6.5151 10.6976 10.6976 10.7044 10.7044 15.4042 15.4042 15.4649 15.4649 k = 0.4750 0.5565-0.0822 ( 2678 PWs) bands (ev): -6.9216 -6.9216 -6.9102 -6.9102 2.9557 2.9557 2.9732 2.9732 4.0822 4.0822 4.1693 4.1693 4.5897 4.5897 4.6174 4.6174 5.0297 5.0297 5.0693 5.0693 5.5893 5.5893 5.6355 5.6355 5.8190 5.8190 5.8494 5.8494 6.1582 6.1582 6.1971 6.1971 6.4314 6.4314 6.5482 6.5482 10.7022 10.7022 10.7155 10.7155 15.3733 15.3733 15.4941 15.4941 k = 0.4625 0.5565-0.0822 ( 2680 PWs) bands (ev): -6.9246 -6.9246 -6.9075 -6.9075 2.9476 2.9476 2.9734 2.9734 4.0597 4.0597 4.1880 4.1880 4.5681 4.5681 4.6079 4.6079 5.0228 5.0228 5.0781 5.0781 5.5844 5.5844 5.6525 5.6525 5.8166 5.8166 5.8613 5.8613 6.1572 6.1572 6.2170 6.2170 6.4092 6.4092 6.5836 6.5836 10.7124 10.7124 10.7315 10.7315 15.3422 15.3422 15.5221 15.5221 k = 0.4500 0.5565-0.0822 ( 2678 PWs) bands (ev): -6.9276 -6.9276 -6.9049 -6.9049 2.9381 2.9381 2.9720 2.9720 4.0372 4.0372 4.2035 4.2035 4.5427 4.5427 4.5934 4.5934 5.0182 5.0182 5.0850 5.0850 5.5821 5.5821 5.6702 5.6702 5.8168 5.8168 5.8747 5.8747 6.1588 6.1588 6.2410 6.2410 6.3905 6.3905 6.6211 6.6211 10.7281 10.7281 10.7523 10.7523 15.3112 15.3112 15.5486 15.5486 k = 0.4375 0.5565-0.0822 ( 2672 PWs) bands (ev): -6.9307 -6.9307 -6.9024 -6.9024 2.9275 2.9275 2.9688 2.9688 4.0148 4.0148 4.2141 4.2141 4.5143 4.5143 4.5764 4.5764 5.0156 5.0156 5.0895 5.0895 5.5820 5.5820 5.6876 5.6876 5.8201 5.8201 5.8897 5.8897 6.1625 6.1625 6.2683 6.2683 6.3765 6.3765 6.6608 6.6608 10.7496 10.7496 10.7777 10.7777 15.2803 15.2803 15.5729 15.5729 k = 0.4250 0.5565-0.0822 ( 2670 PWs) bands (ev): -6.9339 -6.9339 -6.9000 -6.9000 2.9158 2.9158 2.9641 2.9641 3.9925 3.9925 4.2172 4.2172 4.4834 4.4834 4.5605 4.5605 5.0147 5.0147 5.0916 5.0916 5.5840 5.5840 5.7034 5.7034 5.8268 5.8268 5.9063 5.9063 6.1673 6.1673 6.2963 6.2963 6.3700 6.3700 6.7023 6.7023 10.7769 10.7769 10.8075 10.8075 15.2497 15.2497 15.5946 15.5946 k = 0.4125 0.5565-0.0822 ( 2674 PWs) bands (ev): -6.9371 -6.9371 -6.8977 -6.8977 2.9033 2.9033 2.9578 2.9578 3.9702 3.9702 4.2109 4.2109 4.4497 4.4497 4.5498 4.5498 5.0152 5.0152 5.0913 5.0913 5.5876 5.5876 5.7166 5.7166 5.8372 5.8372 5.9244 5.9244 6.1727 6.1727 6.3171 6.3171 6.3792 6.3792 6.7456 6.7456 10.8102 10.8102 10.8415 10.8415 15.2195 15.2195 15.6127 15.6127 k = 0.4000 0.5565-0.0822 ( 2674 PWs) bands (ev): -6.9403 -6.9403 -6.8955 -6.8955 2.8900 2.8900 2.9501 2.9501 3.9480 3.9480 4.1939 4.1939 4.4132 4.4132 4.5471 4.5471 5.0167 5.0167 5.0890 5.0890 5.5926 5.5926 5.7270 5.7270 5.8510 5.8510 5.9440 5.9440 6.1777 6.1777 6.3257 6.3257 6.4095 6.4095 6.7904 6.7904 10.8494 10.8494 10.8795 10.8795 15.1898 15.1898 15.6263 15.6263 k = 0.3875 0.5565-0.0822 ( 2674 PWs) bands (ev): -6.9435 -6.9435 -6.8933 -6.8933 2.8761 2.8761 2.9411 2.9411 3.9258 3.9258 4.1670 4.1670 4.3737 4.3737 4.5530 4.5530 5.0186 5.0186 5.0851 5.0851 5.5986 5.5986 5.7349 5.7349 5.8675 5.8675 5.9646 5.9646 6.1816 6.1816 6.3311 6.3311 6.4521 6.4521 6.8365 6.8365 10.8946 10.8946 10.9213 10.9213 15.1606 15.1606 15.6343 15.6343 k = 0.3750 0.5565-0.0822 ( 2676 PWs) bands (ev): -6.9468 -6.9468 -6.8913 -6.8913 2.8617 2.8617 2.9309 2.9309 3.9034 3.9034 4.1322 4.1322 4.3321 4.3321 4.5658 4.5658 5.0204 5.0204 5.0806 5.0806 5.6054 5.6054 5.7412 5.7412 5.8856 5.8856 5.9860 5.9860 6.1842 6.1842 6.3389 6.3389 6.5011 6.5011 6.8837 6.8837 10.9457 10.9457 10.9669 10.9669 15.1320 15.1320 15.6353 15.6353 k = 0.3625 0.5565-0.0822 ( 2678 PWs) bands (ev): -6.9500 -6.9500 -6.8893 -6.8893 2.8470 2.8470 2.9197 2.9197 3.8810 3.8810 4.0917 4.0917 4.2888 4.2888 4.5836 4.5836 5.0211 5.0211 5.0764 5.0764 5.6127 5.6127 5.7464 5.7464 5.9048 5.9048 6.0075 6.0075 6.1856 6.1856 6.3507 6.3507 6.5546 6.5546 6.9319 6.9319 11.0022 11.0022 11.0163 11.0163 15.1041 15.1041 15.6278 15.6278 k = 0.3500 0.5565-0.0822 ( 2670 PWs) bands (ev): -6.9533 -6.9533 -6.8875 -6.8875 2.8321 2.8321 2.9077 2.9077 3.8585 3.8585 4.0475 4.0475 4.2445 4.2445 4.6044 4.6044 5.0197 5.0197 5.0739 5.0739 5.6201 5.6201 5.7511 5.7511 5.9244 5.9244 6.0289 6.0289 6.1864 6.1864 6.3662 6.3662 6.6116 6.6116 6.9808 6.9808 11.0612 11.0612 11.0723 11.0723 15.0766 15.0766 15.6103 15.6103 k = 0.3375 0.5565-0.0822 ( 2668 PWs) bands (ev): -6.9565 -6.9565 -6.8858 -6.8858 2.8171 2.8171 2.8949 2.8949 3.8359 3.8359 4.0008 4.0008 4.1998 4.1998 4.6269 4.6269 5.0156 5.0156 5.0743 5.0743 5.6275 5.6275 5.7558 5.7558 5.9440 5.9440 6.0495 6.0495 6.1876 6.1876 6.3848 6.3848 6.6716 6.6716 7.0303 7.0303 11.1177 11.1177 11.1394 11.1394 15.0496 15.0496 15.5814 15.5814 k = 0.3250 0.5565-0.0822 ( 2668 PWs) bands (ev): -6.9597 -6.9597 -6.8841 -6.8841 2.8021 2.8021 2.8815 2.8815 3.8132 3.8132 3.9528 3.9528 4.1549 4.1549 4.6498 4.6498 5.0091 5.0091 5.0776 5.0776 5.6345 5.6345 5.7606 5.7606 5.9631 5.9631 6.0691 6.0691 6.1898 6.1898 6.4059 6.4059 6.7340 6.7340 7.0802 7.0802 11.1746 11.1746 11.2145 11.2145 15.0226 15.0226 15.5403 15.5403 k = 0.3125 0.5565-0.0822 ( 2672 PWs) bands (ev): -6.9629 -6.9629 -6.8825 -6.8825 2.7871 2.7871 2.8676 2.8676 3.7904 3.7904 3.9042 3.9042 4.1104 4.1104 4.6721 4.6721 5.0015 5.0015 5.0830 5.0830 5.6409 5.6409 5.7656 5.7656 5.9814 5.9814 6.0874 6.0874 6.1937 6.1937 6.4289 6.4289 6.7987 6.7987 7.1303 7.1303 11.2331 11.2331 11.2957 11.2957 14.9953 14.9953 15.4867 15.4867 k = 0.3000 0.5565-0.0822 ( 2670 PWs) bands (ev): -6.9660 -6.9660 -6.8811 -6.8811 2.7724 2.7724 2.8534 2.8534 3.7675 3.7675 3.8557 3.8557 4.0665 4.0665 4.6927 4.6927 4.9941 4.9941 5.0900 5.0900 5.6467 5.6467 5.7709 5.7709 5.9985 5.9985 6.1045 6.1045 6.1999 6.1999 6.4532 6.4532 6.8653 6.8653 7.1805 7.1805 11.2929 11.2929 11.3829 11.3829 14.9669 14.9669 15.4211 15.4211 k = 0.2875 0.5565-0.0822 ( 2664 PWs) bands (ev): -6.9691 -6.9691 -6.8797 -6.8797 2.7579 2.7579 2.8391 2.8391 3.7446 3.7446 3.8077 3.8077 4.0233 4.0233 4.7107 4.7107 4.9882 4.9882 5.0983 5.0983 5.6517 5.6517 5.7763 5.7763 6.0139 6.0139 6.1208 6.1208 6.2084 6.2084 6.4787 6.4787 6.9335 6.9335 7.2308 7.2308 11.3539 11.3539 11.4758 11.4758 14.9364 14.9364 15.3448 15.3448 k = 0.2750 0.5565-0.0822 ( 2664 PWs) bands (ev): -6.9721 -6.9721 -6.8784 -6.8784 2.7437 2.7437 2.8246 2.8246 3.7214 3.7214 3.7608 3.7608 3.9812 3.9812 4.7250 4.7250 4.9847 4.9847 5.1075 5.1075 5.6560 5.6560 5.7818 5.7818 6.0272 6.0272 6.1369 6.1369 6.2190 6.2190 6.5047 6.5047 7.0029 7.0029 7.2810 7.2810 11.4155 11.4155 11.5740 11.5740 14.9021 14.9021 15.2593 15.2593 k = 0.2625 0.5565-0.0822 ( 2662 PWs) bands (ev): -6.9751 -6.9751 -6.8772 -6.8772 2.7299 2.7299 2.8102 2.8102 3.6966 3.6966 3.7169 3.7169 3.9402 3.9402 4.7347 4.7347 4.9847 4.9847 5.1176 5.1176 5.6595 5.6595 5.7872 5.7872 6.0383 6.0383 6.1532 6.1532 6.2312 6.2312 6.5312 6.5312 7.0734 7.0734 7.3310 7.3310 11.4773 11.4773 11.6775 11.6775 14.8620 14.8620 15.1664 15.1664 k = 0.2500 0.5565-0.0822 ( 2666 PWs) bands (ev): -6.9780 -6.9780 -6.8761 -6.8761 2.7165 2.7165 2.7959 2.7959 3.6626 3.6626 3.6837 3.6837 3.9005 3.9005 4.7395 4.7395 4.9883 4.9883 5.1286 5.1286 5.6623 5.6623 5.7923 5.7923 6.0474 6.0474 6.1702 6.1702 6.2443 6.2443 6.5579 6.5579 7.1445 7.1445 7.3809 7.3809 11.5390 11.5390 11.7858 11.7858 14.8138 14.8138 15.0681 15.0681 k = 0.2375 0.5565-0.0822 ( 2670 PWs) bands (ev): -6.9808 -6.9808 -6.8751 -6.8751 2.7035 2.7035 2.7817 2.7817 3.6210 3.6210 3.6599 3.6599 3.8623 3.8623 4.7394 4.7394 4.9954 4.9954 5.1406 5.1406 5.6645 5.6645 5.7968 5.7968 6.0549 6.0549 6.1877 6.1877 6.2579 6.2579 6.5844 6.5844 7.2161 7.2161 7.4304 7.4304 11.6000 11.6000 11.8987 11.8987 14.7554 14.7554 14.9662 14.9662 k = 0.2250 0.5565-0.0822 ( 2668 PWs) bands (ev): -6.9835 -6.9835 -6.8741 -6.8741 2.6910 2.6910 2.7679 2.7679 3.5794 3.5794 3.6384 3.6384 3.8255 3.8255 4.7352 4.7352 5.0053 5.0053 5.1535 5.1535 5.6660 5.6660 5.8008 5.8008 6.0613 6.0613 6.2057 6.2057 6.2717 6.2717 6.6108 6.6108 7.2878 7.2878 7.4796 7.4796 11.6599 11.6599 12.0158 12.0158 14.6857 14.6857 14.8625 14.8625 k = 0.2125 0.5565-0.0822 ( 2668 PWs) bands (ev): -6.9862 -6.9862 -6.8732 -6.8732 2.6791 2.6791 2.7544 2.7544 3.5393 3.5393 3.6178 3.6178 3.7904 3.7904 4.7279 4.7279 5.0167 5.0167 5.1676 5.1676 5.6670 5.6670 5.8040 5.8040 6.0669 6.0669 6.2237 6.2237 6.2854 6.2854 6.6367 6.6367 7.3592 7.3592 7.5284 7.5284 11.7182 11.7182 12.1367 12.1367 14.6050 14.6050 14.7586 14.7586 k = 0.2000 0.5565-0.0822 ( 2668 PWs) bands (ev): -6.9887 -6.9887 -6.8724 -6.8724 2.6677 2.6677 2.7414 2.7414 3.5009 3.5009 3.5982 3.5982 3.7569 3.7569 4.7183 4.7183 5.0288 5.0288 5.1827 5.1827 5.6675 5.6675 5.8064 5.8064 6.0721 6.0721 6.2415 6.2415 6.2988 6.2988 6.6620 6.6620 7.4302 7.4302 7.5768 7.5768 11.7745 11.7745 12.2608 12.2608 14.5152 14.5152 14.6561 14.6561 k = 0.1875 0.5565-0.0822 ( 2672 PWs) bands (ev): -6.9911 -6.9911 -6.8717 -6.8717 2.6569 2.6569 2.7288 2.7288 3.4644 3.4644 3.5795 3.5795 3.7251 3.7251 4.7072 4.7072 5.0409 5.0409 5.1989 5.1989 5.6675 5.6675 5.8080 5.8080 6.0770 6.0770 6.2587 6.2587 6.3118 6.3118 6.6865 6.6865 7.5001 7.5001 7.6244 7.6244 11.8284 11.8284 12.3875 12.3875 14.4191 14.4191 14.5564 14.5564 k = 0.1750 0.5565-0.0822 ( 2672 PWs) bands (ev): -6.9934 -6.9934 -6.8710 -6.8710 2.6467 2.6467 2.7168 2.7168 3.4300 3.4300 3.5617 3.5617 3.6951 3.6951 4.6953 4.6953 5.0523 5.0523 5.2160 5.2160 5.6670 5.6670 5.8089 5.8089 6.0817 6.0817 6.2751 6.2751 6.3244 6.3244 6.7102 6.7102 7.5686 7.5686 7.6714 7.6714 11.8796 11.8796 12.5159 12.5159 14.3192 14.3192 14.4610 14.4610 k = 0.1625 0.5565-0.0822 ( 2672 PWs) bands (ev): -6.9956 -6.9956 -6.8704 -6.8704 2.6371 2.6371 2.7054 2.7054 3.3977 3.3977 3.5451 3.5451 3.6668 3.6668 4.6831 4.6831 5.0629 5.0629 5.2339 5.2339 5.6660 5.6660 5.8091 5.8091 6.0865 6.0865 6.2905 6.2905 6.3365 6.3365 6.7328 6.7328 7.6353 7.6353 7.7176 7.7176 11.9277 11.9277 12.6448 12.6448 14.2183 14.2183 14.3716 14.3716 k = 0.1500 0.5565-0.0822 ( 2672 PWs) bands (ev): -6.9976 -6.9976 -6.8698 -6.8698 2.6282 2.6282 2.6946 2.6946 3.3676 3.3676 3.5296 3.5296 3.6403 3.6403 4.6709 4.6709 5.0724 5.0724 5.2522 5.2522 5.6646 5.6646 5.8086 5.8086 6.0911 6.0911 6.3047 6.3047 6.3482 6.3482 6.7541 6.7541 7.6993 7.6993 7.7630 7.7630 11.9725 11.9725 12.7728 12.7728 14.1183 14.1183 14.2902 14.2902 k = 0.1375 0.5565-0.0822 ( 2678 PWs) bands (ev): -6.9995 -6.9995 -6.8694 -6.8694 2.6199 2.6199 2.6845 2.6845 3.3398 3.3398 3.5154 3.5154 3.6156 3.6156 4.6589 4.6589 5.0809 5.0809 5.2707 5.2707 5.6628 5.6628 5.8076 5.8076 6.0956 6.0956 6.3176 6.3176 6.3594 6.3594 6.7742 6.7742 7.7598 7.7598 7.8078 7.8078 12.0137 12.0137 12.8975 12.8975 14.0210 14.0210 14.2195 14.2195 k = 0.1250 0.5565-0.0822 ( 2678 PWs) bands (ev): -7.0012 -7.0012 -6.8689 -6.8689 2.6122 2.6122 2.6752 2.6752 3.3144 3.3144 3.5025 3.5025 3.5927 3.5927 4.6475 4.6475 5.0884 5.0884 5.2891 5.2891 5.6606 5.6606 5.8063 5.8063 6.1000 6.1000 6.3291 6.3291 6.3700 6.3700 6.7928 6.7928 7.8151 7.8151 7.8529 7.8529 12.0513 12.0513 13.0155 13.0155 13.9279 13.9279 14.1631 14.1631 k = 0.1125 0.5565-0.0822 ( 2682 PWs) bands (ev): -7.0028 -7.0028 -6.8685 -6.8685 2.6052 2.6052 2.6666 2.6666 3.2913 3.2913 3.4911 3.4911 3.5715 3.5715 4.6367 4.6367 5.0950 5.0950 5.3071 5.3071 5.6580 5.6580 5.8046 5.8046 6.1041 6.1041 6.3393 6.3393 6.3799 6.3799 6.8099 6.8099 7.8634 7.8634 7.8992 7.8992 12.0850 12.0850 13.1222 13.1222 13.8400 13.8400 14.1261 14.1261 k = 0.1000 0.5565-0.0822 ( 2684 PWs) bands (ev): -7.0043 -7.0043 -6.8682 -6.8682 2.5989 2.5989 2.6588 2.6588 3.2706 3.2706 3.4811 3.4811 3.5522 3.5522 4.6268 4.6268 5.1007 5.1007 5.3244 5.3244 5.6550 5.6550 5.8028 5.8028 6.1080 6.1080 6.3482 6.3482 6.3892 6.3892 6.8254 6.8254 7.9045 7.9045 7.9462 7.9462 12.1150 12.1150 13.2115 13.2115 13.7584 13.7584 14.1148 14.1148 k = 0.0875 0.5565-0.0822 ( 2686 PWs) bands (ev): -7.0056 -7.0056 -6.8679 -6.8679 2.5933 2.5933 2.6518 2.6518 3.2523 3.2523 3.4727 3.4727 3.5346 3.5346 4.6178 4.6178 5.1056 5.1056 5.3407 5.3407 5.6518 5.6518 5.8009 5.8009 6.1116 6.1116 6.3558 6.3558 6.3977 6.3977 6.8392 6.8392 7.9398 7.9398 7.9913 7.9913 12.1413 12.1413 13.2774 13.2774 13.6841 13.6841 14.1350 14.1350 k = 0.0750 0.5565-0.0822 ( 2688 PWs) bands (ev): -7.0067 -7.0067 -6.8677 -6.8677 2.5884 2.5884 2.6457 2.6457 3.2364 3.2364 3.4658 3.4658 3.5188 3.5188 4.6099 4.6099 5.1098 5.1098 5.3558 5.3558 5.6484 5.6484 5.7991 5.7991 6.1148 6.1148 6.3622 6.3622 6.4052 6.4052 6.8513 6.8513 7.9706 7.9706 8.0325 8.0325 12.1637 12.1637 13.3181 13.3181 13.6178 13.6178 14.1884 14.1884 k = 0.0625 0.5565-0.0822 ( 2690 PWs) bands (ev): -7.0076 -7.0076 -6.8674 -6.8674 2.5843 2.5843 2.6405 2.6405 3.2230 3.2230 3.4606 3.4606 3.5049 3.5049 4.6030 4.6030 5.1132 5.1132 5.3693 5.3693 5.6450 5.6450 5.7973 5.7973 6.1176 6.1176 6.3676 6.3676 6.4117 6.4117 6.8616 6.8616 7.9970 7.9970 8.0689 8.0689 12.1825 12.1825 13.3371 13.3371 13.5602 13.5602 14.2706 14.2706 k = 0.0500 0.5565-0.0822 ( 2690 PWs) bands (ev): -7.0084 -7.0084 -6.8673 -6.8673 2.5809 2.5809 2.6362 2.6362 3.2120 3.2120 3.4570 3.4570 3.4927 3.4927 4.5973 4.5973 5.1160 5.1160 5.3810 5.3810 5.6418 5.6418 5.7958 5.7958 6.1199 6.1199 6.3718 6.3718 6.4171 6.4171 6.8701 6.8701 8.0189 8.0189 8.0995 8.0995 12.1978 12.1978 13.3418 13.3418 13.5120 13.5120 14.3730 14.3730 k = 0.0375 0.5565-0.0822 ( 2692 PWs) bands (ev): -7.0090 -7.0090 -6.8672 -6.8672 2.5782 2.5782 2.6328 2.6328 3.2034 3.2034 3.4551 3.4551 3.4823 3.4823 4.5929 4.5929 5.1181 5.1181 5.3905 5.3905 5.6389 5.6389 5.7946 5.7946 6.1218 6.1218 6.3751 6.3751 6.4215 6.4215 6.8767 6.8767 8.0363 8.0363 8.1239 8.1239 12.2095 12.2095 13.3392 13.3392 13.4738 13.4738 14.4855 14.4855 k = 0.0250 0.5565-0.0822 ( 2688 PWs) bands (ev): -7.0095 -7.0095 -6.8671 -6.8671 2.5763 2.5763 2.6305 2.6305 3.1973 3.1973 3.4547 3.4547 3.4739 3.4739 4.5897 4.5897 5.1196 5.1196 5.3975 5.3975 5.6367 5.6367 5.7937 5.7937 6.1231 6.1231 6.3774 6.3774 6.4246 6.4246 6.8814 6.8814 8.0488 8.0488 8.1416 8.1416 12.2178 12.2178 13.3343 13.3343 13.4460 13.4460 14.5962 14.5962 k = 0.0125 0.5565-0.0822 ( 2688 PWs) bands (ev): -7.0097 -7.0097 -6.8670 -6.8670 2.5751 2.5751 2.6290 2.6290 3.1936 3.1936 3.4557 3.4557 3.4676 3.4676 4.5877 4.5877 5.1205 5.1205 5.4019 5.4019 5.6353 5.6353 5.7931 5.7931 6.1239 6.1239 6.3788 6.3788 6.4264 6.4264 6.8843 6.8843 8.0564 8.0564 8.1523 8.1523 12.2228 12.2228 13.3303 13.3303 13.4291 13.4291 14.6862 14.6862 k = 0.0000 0.5565-0.0822 ( 2684 PWs) bands (ev): -7.0098 -7.0098 -6.8670 -6.8670 2.5748 2.5748 2.6285 2.6285 3.1924 3.1924 3.4567 3.4567 3.4649 3.4649 4.5871 4.5871 5.1208 5.1208 5.4033 5.4033 5.6348 5.6348 5.7930 5.7930 6.1242 6.1242 6.3793 6.3793 6.4271 6.4271 6.8852 6.8852 8.0590 8.0590 8.1559 8.1559 12.2244 12.2244 13.3288 13.3288 13.4235 13.4235 14.7236 14.7236 k = 0.0000 0.5565-0.0822 ( 2684 PWs) bands (ev): -7.0098 -7.0098 -6.8670 -6.8670 2.5748 2.5748 2.6285 2.6285 3.1924 3.1924 3.4567 3.4567 3.4649 3.4649 4.5871 4.5871 5.1208 5.1208 5.4033 5.4033 5.6348 5.6348 5.7930 5.7930 6.1242 6.1242 6.3793 6.3793 6.4271 6.4271 6.8852 6.8852 8.0590 8.0590 8.1559 8.1559 12.2244 12.2244 13.3288 13.3288 13.4235 13.4235 14.7236 14.7236 k = 0.0000 0.5583-0.0698 ( 2688 PWs) bands (ev): -7.0096 -7.0096 -6.8670 -6.8670 2.5665 2.5665 2.6341 2.6341 3.1923 3.1923 3.4573 3.4573 3.4655 3.4655 4.5804 4.5804 5.1207 5.1207 5.4039 5.4039 5.6360 5.6360 5.7928 5.7928 6.1232 6.1232 6.3711 6.3711 6.4425 6.4425 6.8892 6.8892 8.0591 8.0591 8.1559 8.1559 12.2192 12.2192 13.3308 13.3308 13.4230 13.4230 14.7259 14.7259 k = 0.0000 0.5601-0.0573 ( 2690 PWs) bands (ev): -7.0088 -7.0088 -6.8671 -6.8671 2.5476 2.5476 2.6453 2.6453 3.1920 3.1920 3.4577 3.4577 3.4688 3.4688 4.5606 4.5606 5.1205 5.1205 5.4055 5.4055 5.6395 5.6395 5.7923 5.7923 6.1207 6.1207 6.3584 6.3584 6.4762 6.4762 6.9010 6.9010 8.0594 8.0594 8.1561 8.1561 12.2038 12.2038 13.3358 13.3358 13.4226 13.4226 14.7327 14.7327 k = 0.0000 0.5620-0.0449 ( 2682 PWs) bands (ev): -7.0075 -7.0075 -6.8672 -6.8672 2.5235 2.5235 2.6566 2.6566 3.1916 3.1916 3.4564 3.4564 3.4759 3.4759 4.5287 4.5287 5.1208 5.1208 5.4083 5.4083 5.6443 5.6443 5.7919 5.7919 6.1173 6.1173 6.3481 6.3481 6.5197 6.5197 6.9209 6.9209 8.0599 8.0599 8.1564 8.1564 12.1788 12.1788 13.3406 13.3406 13.4252 13.4252 14.7438 14.7438 k = 0.0000 0.5638-0.0325 ( 2676 PWs) bands (ev): -7.0057 -7.0057 -6.8673 -6.8673 2.4965 2.4965 2.6665 2.6665 3.1910 3.1910 3.4537 3.4537 3.4860 3.4860 4.4864 4.4864 5.1223 5.1223 5.4124 5.4124 5.6494 5.6494 5.7916 5.7916 6.1138 6.1138 6.3404 6.3404 6.5703 6.5703 6.9487 6.9487 8.0606 8.0606 8.1568 8.1568 12.1450 12.1450 13.3401 13.3401 13.4354 13.4354 14.7591 14.7591 k = 0.0000 0.5656-0.0201 ( 2676 PWs) bands (ev): -7.0034 -7.0034 -6.8675 -6.8675 2.4674 2.4674 2.6745 2.6745 3.1901 3.1901 3.4500 3.4500 3.4979 3.4979 4.4356 4.4356 5.1253 5.1253 5.4177 5.4177 5.6537 5.6537 5.7918 5.7918 6.1107 6.1107 6.3347 6.3347 6.6261 6.6261 6.9847 6.9847 8.0614 8.0614 8.1574 8.1574 12.1037 12.1037 13.3318 13.3318 13.4552 13.4552 14.7784 14.7784 k = 0.0000 0.5675-0.0077 ( 2672 PWs) bands (ev): -7.0006 -7.0006 -6.8677 -6.8677 2.4370 2.4370 2.6804 2.6804 3.1891 3.1891 3.4454 3.4454 3.5107 3.5107 4.3783 4.3783 5.1301 5.1301 5.4242 5.4242 5.6566 5.6566 5.7929 5.7929 6.1083 6.1083 6.3305 6.3305 6.6852 6.6852 7.0286 7.0286 8.0622 8.0622 8.1582 8.1582 12.0560 12.0560 13.3168 13.3168 13.4834 13.4834 14.8014 14.8014 k = 0.0000 0.5693 0.0048 ( 2668 PWs) bands (ev): -6.9974 -6.9974 -6.8680 -6.8680 2.4058 2.4058 2.6844 2.6844 3.1880 3.1880 3.4400 3.4400 3.5236 3.5236 4.3169 4.3169 5.1369 5.1369 5.4320 5.4320 5.6581 5.6581 5.7949 5.7949 6.1068 6.1068 6.3272 6.3272 6.7457 6.7457 7.0806 7.0806 8.0631 8.0631 8.1591 8.1591 12.0029 12.0029 13.2969 13.2969 13.5177 13.5177 14.8280 14.8280 k = 0.0000 0.5711 0.0172 ( 2668 PWs) bands (ev): -6.9937 -6.9937 -6.8684 -6.8684 2.3742 2.3742 2.6866 2.6866 3.1867 3.1867 3.4340 3.4340 3.5353 3.5353 4.2533 4.2533 5.1456 5.1456 5.4410 5.4410 5.6583 5.6583 5.7979 5.7979 6.1060 6.1060 6.3246 6.3246 6.8063 6.8063 7.1401 7.1401 8.0639 8.0639 8.1603 8.1603 11.9455 11.9455 13.2734 13.2734 13.5565 13.5565 14.8579 14.8579 k = 0.0000 0.5730 0.0296 ( 2668 PWs) bands (ev): -6.9897 -6.9897 -6.8689 -6.8689 2.3427 2.3427 2.6870 2.6870 3.1853 3.1853 3.4274 3.4274 3.5448 3.5448 4.1897 4.1897 5.1560 5.1560 5.4510 5.4510 5.6576 5.6576 5.8018 5.8018 6.1058 6.1058 6.3224 6.3224 6.8660 6.8660 7.2062 7.2062 8.0646 8.0646 8.1617 8.1617 11.8850 11.8850 13.2472 13.2472 13.5991 13.5991 14.8908 14.8908 k = 0.0000 0.5748 0.0420 ( 2667 PWs) bands (ev): -6.9853 -6.9853 -6.8694 -6.8694 2.3117 2.3117 2.6858 2.6858 3.1839 3.1839 3.4202 3.4202 3.5508 3.5508 4.1281 4.1281 5.1681 5.1681 5.4620 5.4620 5.6565 5.6565 5.8064 5.8064 6.1063 6.1063 6.3205 6.3205 6.9243 6.9243 7.2776 7.2776 8.0651 8.0651 8.1633 8.1633 11.8221 11.8221 13.2188 13.2188 13.6447 13.6447 14.9260 14.9260 k = 0.0000 0.5766 0.0544 ( 2669 PWs) bands (ev): -6.9806 -6.9806 -6.8700 -6.8700 2.2815 2.2815 2.6829 2.6829 3.1823 3.1823 3.4126 3.4126 3.5519 3.5519 4.0706 4.0706 5.1816 5.1816 5.4739 5.4739 5.6554 5.6554 5.8115 5.8115 6.1072 6.1072 6.3187 6.3187 6.9814 6.9814 7.3528 7.3528 8.0653 8.0653 8.1653 8.1653 11.7579 11.7579 13.1888 13.1888 13.6929 13.6929 14.9596 14.9596 k = 0.0000 0.5785 0.0668 ( 2674 PWs) bands (ev): -6.9757 -6.9757 -6.8707 -6.8707 2.2524 2.2524 2.6784 2.6784 3.1807 3.1807 3.4046 3.4046 3.5466 3.5466 4.0192 4.0192 5.1963 5.1963 5.4866 5.4866 5.6546 5.6546 5.8170 5.8170 6.1085 6.1085 6.3169 6.3169 7.0373 7.0373 7.4300 7.4300 8.0653 8.0653 8.1674 8.1674 11.6930 11.6930 13.1575 13.1575 13.7432 13.7432 14.9695 14.9695 k = 0.0000 0.5803 0.0793 ( 2677 PWs) bands (ev): -6.9705 -6.9705 -6.8714 -6.8714 2.2247 2.2247 2.6723 2.6723 3.1791 3.1791 3.3964 3.3964 3.5339 3.5339 3.9757 3.9757 5.2121 5.2121 5.5001 5.5001 5.6546 5.6546 5.8226 5.8226 6.1102 6.1102 6.3151 6.3151 7.0924 7.0924 7.5076 7.5076 8.0650 8.0650 8.1697 8.1697 11.6283 11.6283 13.1253 13.1253 13.7953 13.7953 14.9452 14.9452 k = 0.0000 0.5821 0.0917 ( 2672 PWs) bands (ev): -6.9653 -6.9653 -6.8722 -6.8722 2.1987 2.1987 2.6645 2.6645 3.1774 3.1774 3.3880 3.3880 3.5134 3.5134 3.9411 3.9411 5.2287 5.2287 5.5142 5.5142 5.6556 5.6556 5.8284 5.8284 6.1123 6.1123 6.3132 6.3132 7.1468 7.1468 7.5843 7.5843 8.0644 8.0644 8.1722 8.1722 11.5646 11.5646 13.0924 13.0924 13.8488 13.8488 14.9135 14.9135 k = 0.0000 0.5840 0.1041 ( 2674 PWs) bands (ev): -6.9600 -6.9600 -6.8729 -6.8729 2.1747 2.1747 2.6549 2.6549 3.1757 3.1757 3.3794 3.3794 3.4858 3.4858 3.9153 3.9153 5.2459 5.2459 5.5288 5.5288 5.6575 5.6575 5.8341 5.8341 6.1146 6.1146 6.3111 6.3111 7.2006 7.2006 7.6585 7.6585 8.0636 8.0636 8.1747 8.1747 11.5026 11.5026 13.0592 13.0592 13.9034 13.9034 14.8818 14.8818 k = 0.0000 0.5858 0.1165 ( 2671 PWs) bands (ev): -6.9548 -6.9548 -6.8737 -6.8737 2.1527 2.1527 2.6435 2.6435 3.1739 3.1739 3.3706 3.3706 3.4530 3.4530 3.8971 3.8971 5.2634 5.2634 5.5436 5.5436 5.6603 5.6603 5.8398 5.8398 6.1174 6.1174 6.3088 6.3088 7.2538 7.2538 7.7293 7.7293 8.0624 8.0624 8.1772 8.1772 11.4429 11.4429 13.0259 13.0259 13.9584 13.9584 14.8517 14.8517 k = 0.0000 0.5876 0.1289 ( 2673 PWs) bands (ev): -6.9498 -6.9498 -6.8742 -6.8742 2.1331 2.1331 2.6302 2.6302 3.1720 3.1720 3.3614 3.3614 3.4177 3.4177 3.8847 3.8847 5.2810 5.2810 5.5587 5.5587 5.6642 5.6642 5.8453 5.8453 6.1205 6.1205 6.3062 6.3062 7.3065 7.3065 7.7953 7.7953 8.0610 8.0610 8.1796 8.1796 11.3863 11.3863 12.9927 12.9927 14.0134 14.0134 14.8239 14.8239 k = 0.0000 0.5895 0.1413 ( 2673 PWs) bands (ev): -6.9452 -6.9452 -6.8746 -6.8746 2.1159 2.1159 2.6150 2.6150 3.1699 3.1699 3.3501 3.3501 3.3840 3.3840 3.8765 3.8765 5.2983 5.2983 5.5737 5.5737 5.6689 5.6689 5.8506 5.8506 6.1240 6.1240 6.3034 6.3034 7.3586 7.3586 7.8558 7.8558 8.0595 8.0595 8.1818 8.1818 11.3333 11.3333 12.9598 12.9598 14.0676 14.0676 14.7989 14.7989 k = 0.0000 0.5913 0.1538 ( 2673 PWs) bands (ev): -6.9412 -6.9412 -6.8745 -6.8745 2.1013 2.1013 2.5979 2.5979 3.1675 3.1675 3.3302 3.3302 3.3602 3.3602 3.8713 3.8713 5.3152 5.3152 5.5884 5.5884 5.6744 5.6744 5.8557 5.8557 6.1278 6.1278 6.3001 6.3001 7.4099 7.4099 7.9097 7.9097 8.0579 8.0579 8.1837 8.1837 11.2846 11.2846 12.9275 12.9275 14.1202 14.1202 14.7772 14.7772 k = 0.0000 0.5931 0.1662 ( 2669 PWs) bands (ev): -6.9380 -6.9380 -6.8738 -6.8738 2.0893 2.0893 2.5790 2.5790 3.1648 3.1648 3.3011 3.3011 3.3487 3.3487 3.8680 3.8680 5.3314 5.3314 5.6027 5.6027 5.6805 5.6805 5.8605 5.8605 6.1321 6.1321 6.2965 6.2965 7.4604 7.4604 7.9561 7.9561 8.0565 8.0565 8.1853 8.1853 11.2406 11.2406 12.8958 12.8958 14.1701 14.1701 14.7590 14.7590 k = 0.0000 0.5950 0.1786 ( 2673 PWs) bands (ev): -6.9359 -6.9359 -6.8724 -6.8724 2.0801 2.0801 2.5585 2.5585 3.1615 3.1615 3.2718 3.2718 3.3414 3.3414 3.8660 3.8660 5.3466 5.3466 5.6163 5.6163 5.6871 5.6871 5.8652 5.8652 6.1368 6.1368 6.2924 6.2924 7.5099 7.5099 7.9940 7.9940 8.0560 8.0560 8.1864 8.1864 11.2019 11.2019 12.8648 12.8648 14.2164 14.2164 14.7447 14.7447 k = 0.0000 0.5968 0.1910 ( 2675 PWs) bands (ev): -6.9349 -6.9349 -6.8702 -6.8702 2.0736 2.0736 2.5367 2.5367 3.1574 3.1574 3.2456 3.2456 3.3359 3.3359 3.8651 3.8651 5.3607 5.3607 5.6289 5.6289 5.6941 5.6941 5.8695 5.8695 6.1419 6.1419 6.2879 6.2879 7.5580 7.5580 8.0208 8.0208 8.0583 8.0583 8.1871 8.1871 11.1688 11.1688 12.8348 12.8348 14.2576 14.2576 14.7342 14.7342 k = 0.0000 0.5986 0.2034 ( 2677 PWs) bands (ev): -6.9351 -6.9351 -6.8672 -6.8672 2.0699 2.0699 2.5139 2.5139 3.1521 3.1521 3.2237 3.2237 3.3317 3.3317 3.8649 3.8649 5.3734 5.3734 5.6403 5.6403 5.7013 5.7013 5.8736 5.8736 6.1475 6.1475 6.2829 6.2829 7.6047 7.6047 8.0332 8.0332 8.0666 8.0666 8.1872 8.1872 11.1418 11.1418 12.8058 12.8058 14.2923 14.2923 14.7277 14.7277 k = 0.0000 0.6005 0.2158 ( 2676 PWs) bands (ev): -6.9365 -6.9365 -6.8634 -6.8634 2.0690 2.0690 2.4908 2.4908 3.1456 3.1456 3.2064 3.2064 3.3288 3.3288 3.8654 3.8654 5.3848 5.3848 5.6504 5.6504 5.7085 5.7085 5.8775 5.8775 6.1533 6.1533 6.2775 6.2775 7.6496 7.6496 8.0354 8.0354 8.0767 8.0767 8.1866 8.1866 11.1208 11.1208 12.7778 12.7778 14.3193 14.3193 14.7250 14.7250 k = 0.5000 0.5124 0.3802 ( 2668 PWs) bands (ev): -6.8760 -6.8760 -6.8757 -6.8757 2.9701 2.9701 2.9707 2.9707 3.3477 3.3477 3.3592 3.3592 4.1819 4.1819 4.1857 4.1857 5.2277 5.2277 5.2597 5.2597 5.6831 5.6831 5.7180 5.7180 6.0088 6.0088 6.1093 6.1093 6.3058 6.3058 6.3352 6.3352 6.8901 6.8901 7.0085 7.0085 12.1191 12.1191 12.1300 12.1300 15.1314 15.1314 15.2642 15.2642 k = 0.5000 0.4999 0.3802 ( 2672 PWs) bands (ev): -6.8774 -6.8774 -6.8771 -6.8771 2.9604 2.9604 2.9642 2.9642 3.3401 3.3401 3.3557 3.3557 4.1754 4.1754 4.1796 4.1796 5.2276 5.2276 5.2667 5.2667 5.6770 5.6770 5.7227 5.7227 5.9976 5.9976 6.1061 6.1061 6.3210 6.3210 6.3504 6.3504 6.9137 6.9137 7.0358 7.0358 12.1470 12.1470 12.1589 12.1589 15.0822 15.0822 15.2182 15.2182 k = 0.5000 0.4874 0.3802 ( 2670 PWs) bands (ev): -6.8791 -6.8791 -6.8788 -6.8788 2.9475 2.9475 2.9542 2.9542 3.3352 3.3352 3.3548 3.3548 4.1664 4.1664 4.1711 4.1711 5.2275 5.2275 5.2740 5.2740 5.6713 5.6713 5.7266 5.7266 5.9885 5.9885 6.1020 6.1020 6.3384 6.3384 6.3686 6.3686 6.9413 6.9413 7.0662 7.0662 12.1775 12.1775 12.1906 12.1906 15.0304 15.0304 15.1688 15.1688 k = 0.5000 0.4750 0.3802 ( 2664 PWs) bands (ev): -6.8813 -6.8813 -6.8809 -6.8809 2.9317 2.9317 2.9409 2.9409 3.3332 3.3332 3.3564 3.3564 4.1553 4.1553 4.1603 4.1603 5.2277 5.2277 5.2816 5.2816 5.6657 5.6657 5.7294 5.7294 5.9817 5.9817 6.0973 6.0973 6.3579 6.3579 6.3894 6.3894 6.9725 6.9725 7.0993 7.0993 12.2107 12.2107 12.2249 12.2249 14.9760 14.9760 15.1161 15.1161 k = 0.5000 0.4625 0.3802 ( 2664 PWs) bands (ev): -6.8838 -6.8838 -6.8835 -6.8835 2.9129 2.9129 2.9243 2.9243 3.3338 3.3338 3.3601 3.3601 4.1425 4.1425 4.1477 4.1477 5.2281 5.2281 5.2894 5.2894 5.6603 5.6603 5.7310 5.7310 5.9772 5.9772 6.0925 6.0925 6.3795 6.3795 6.4125 6.4125 7.0069 7.0069 7.1347 7.1347 12.2464 12.2464 12.2619 12.2619 14.9192 14.9192 15.0603 15.0603 k = 0.5000 0.4500 0.3802 ( 2668 PWs) bands (ev): -6.8867 -6.8867 -6.8863 -6.8863 2.8916 2.8916 2.9046 2.9046 3.3368 3.3368 3.3657 3.3657 4.1281 4.1281 4.1335 4.1335 5.2288 5.2288 5.2974 5.2974 5.6552 5.6552 5.7310 5.7310 5.9752 5.9752 6.0877 6.0877 6.4033 6.4033 6.4377 6.4377 7.0440 7.0440 7.1720 7.1720 12.2844 12.2844 12.3013 12.3013 14.8601 14.8601 15.0018 15.0018 k = 0.5000 0.4375 0.3802 ( 2672 PWs) bands (ev): -6.8899 -6.8899 -6.8895 -6.8895 2.8680 2.8680 2.8821 2.8821 3.3418 3.3418 3.3729 3.3729 4.1128 4.1128 4.1182 4.1182 5.2299 5.2299 5.3056 5.3056 5.6503 5.6503 5.7297 5.7297 5.9755 5.9755 6.0832 6.0832 6.4293 6.4293 6.4649 6.4649 7.0835 7.0835 7.2110 7.2110 12.3245 12.3245 12.3429 12.3429 14.7992 14.7992 14.9408 14.9408 k = 0.5000 0.4250 0.3802 ( 2678 PWs) bands (ev): -6.8935 -6.8935 -6.8931 -6.8931 2.8423 2.8423 2.8571 2.8571 3.3485 3.3485 3.3813 3.3813 4.0966 4.0966 4.1019 4.1019 5.2314 5.2314 5.3139 5.3139 5.6456 5.6456 5.7270 5.7270 5.9780 5.9780 6.0791 6.0791 6.4574 6.4574 6.4939 6.4939 7.1250 7.1250 7.2513 7.2513 12.3666 12.3666 12.3866 12.3866 14.7367 14.7367 14.8779 14.8779 k = 0.5000 0.4125 0.3802 ( 2686 PWs) bands (ev): -6.8973 -6.8973 -6.8969 -6.8969 2.8147 2.8147 2.8300 2.8300 3.3564 3.3564 3.3906 3.3906 4.0801 4.0801 4.0852 4.0852 5.2335 5.2335 5.3223 5.3223 5.6412 5.6412 5.7231 5.7231 5.9822 5.9822 6.0754 6.0754 6.4877 6.4877 6.5246 6.5246 7.1681 7.1681 7.2926 7.2926 12.4102 12.4102 12.4320 12.4320 14.6733 14.6733 14.8138 14.8138 k = 0.5000 0.4000 0.3802 ( 2688 PWs) bands (ev): -6.9014 -6.9014 -6.9010 -6.9010 2.7857 2.7857 2.8010 2.8010 3.3653 3.3653 3.4006 3.4006 4.0636 4.0636 4.0682 4.0682 5.2361 5.2361 5.3309 5.3309 5.6372 5.6372 5.7182 5.7182 5.9881 5.9881 6.0724 6.0724 6.5202 6.5202 6.5572 6.5572 7.2124 7.2124 7.3347 7.3347 12.4551 12.4551 12.4788 12.4788 14.6094 14.6094 14.7490 14.7490 k = 0.5000 0.3875 0.3802 ( 2684 PWs) bands (ev): -6.9058 -6.9058 -6.9054 -6.9054 2.7554 2.7554 2.7706 2.7706 3.3747 3.3747 3.4108 3.4108 4.0472 4.0472 4.0513 4.0513 5.2394 5.2394 5.3395 5.3395 5.6335 5.6335 5.7127 5.7127 5.9951 5.9951 6.0700 6.0700 6.5547 6.5547 6.5914 6.5914 7.2575 7.2575 7.3772 7.3772 12.5007 12.5007 12.5264 12.5264 14.5459 14.5459 14.6845 14.6845 k = 0.5000 0.3750 0.3802 ( 2674 PWs) bands (ev): -6.9104 -6.9104 -6.9100 -6.9100 2.7239 2.7239 2.7389 2.7389 3.3844 3.3844 3.4212 3.4212 4.0313 4.0313 4.0348 4.0348 5.2433 5.2433 5.3481 5.3481 5.6301 5.6301 5.7066 5.7066 6.0032 6.0032 6.0683 6.0683 6.5914 6.5914 6.6273 6.6273 7.3032 7.3032 7.4199 7.4199 12.5463 12.5463 12.5743 12.5743 14.4835 14.4835 14.6211 14.6211 k = 0.5000 0.3625 0.3802 ( 2674 PWs) bands (ev): -6.9152 -6.9152 -6.9148 -6.9148 2.6916 2.6916 2.7062 2.7062 3.3940 3.3940 3.4313 3.4313 4.0161 4.0161 4.0189 4.0189 5.2478 5.2478 5.3566 5.3566 5.6270 5.6270 5.7001 5.7001 6.0119 6.0119 6.0672 6.0672 6.6301 6.6301 6.6649 6.6649 7.3492 7.3492 7.4625 7.4625 12.5913 12.5913 12.6217 12.6217 14.4231 14.4231 14.5599 14.5599 k = 0.5000 0.3500 0.3802 ( 2676 PWs) bands (ev): -6.9202 -6.9202 -6.9198 -6.9198 2.6586 2.6586 2.6727 2.6727 3.4035 3.4035 3.4411 3.4411 4.0018 4.0018 4.0039 4.0039 5.2529 5.2529 5.3650 5.3650 5.6242 5.6242 5.6933 5.6933 6.0211 6.0211 6.0668 6.0668 6.6707 6.6707 6.7041 6.7041 7.3950 7.3950 7.5048 7.5048 12.6346 12.6346 12.6675 12.6675 14.3661 14.3661 14.5020 14.5020 k = 0.5000 0.3375 0.3802 ( 2682 PWs) bands (ev): -6.9254 -6.9254 -6.9250 -6.9250 2.6251 2.6251 2.6386 2.6386 3.4124 3.4124 3.4502 3.4502 3.9886 3.9886 3.9899 3.9899 5.2586 5.2586 5.3731 5.3731 5.6217 5.6217 5.6863 5.6863 6.0307 6.0307 6.0670 6.0670 6.7133 6.7133 6.7450 6.7450 7.4406 7.4406 7.5466 7.5466 12.6751 12.6751 12.7105 12.7105 14.3138 14.3138 14.4489 14.4489 k = 0.5000 0.3250 0.3802 ( 2688 PWs) bands (ev): -6.9307 -6.9307 -6.9303 -6.9303 2.5912 2.5912 2.6042 2.6042 3.4208 3.4208 3.4585 3.4585 3.9766 3.9766 3.9770 3.9770 5.2650 5.2650 5.3811 5.3811 5.6195 5.6195 5.6793 5.6793 6.0404 6.0404 6.0680 6.0680 6.7576 6.7576 6.7875 6.7875 7.4856 7.4856 7.5877 7.5877 12.7116 12.7116 12.7492 12.7492 14.2679 14.2679 14.4019 14.4019 k = 0.5000 0.3125 0.3802 ( 2692 PWs) bands (ev): -6.9360 -6.9360 -6.9356 -6.9356 2.5572 2.5572 2.5696 2.5696 3.4283 3.4283 3.4659 3.4659 3.9656 3.9656 3.9660 3.9660 5.2720 5.2720 5.3888 5.3888 5.6176 5.6176 5.6722 5.6722 6.0504 6.0504 6.0697 6.0697 6.8038 6.8038 6.8315 6.8315 7.5299 7.5299 7.6279 7.6279 12.7424 12.7424 12.7820 12.7820 14.2301 14.2301 14.3628 14.3628 k = 0.5000 0.3000 0.3802 ( 2696 PWs) bands (ev): -6.9415 -6.9415 -6.9411 -6.9411 2.5232 2.5232 2.5349 2.5349 3.4349 3.4349 3.4721 3.4721 3.9556 3.9556 3.9567 3.9567 5.2795 5.2795 5.3961 5.3961 5.6160 5.6160 5.6652 5.6652 6.0603 6.0603 6.0720 6.0720 6.8517 6.8517 6.8772 6.8772 7.5732 7.5732 7.6670 7.6670 12.7659 12.7659 12.8069 12.8069 14.2024 14.2024 14.3332 14.3332 k = 0.5000 0.2875 0.3802 ( 2692 PWs) bands (ev): -6.9470 -6.9470 -6.9466 -6.9466 2.4894 2.4894 2.5005 2.5005 3.4406 3.4406 3.4772 3.4772 3.9471 3.9471 3.9488 3.9488 5.2876 5.2876 5.4032 5.4032 5.6146 5.6146 5.6584 5.6584 6.0702 6.0702 6.0749 6.0749 6.9013 6.9013 6.9244 6.9244 7.6155 7.6155 7.7050 7.7050 12.7808 12.7808 12.8222 12.8222 14.1866 14.1866 14.3148 14.3148 k = 0.5000 0.2750 0.3802 ( 2696 PWs) bands (ev): -6.9525 -6.9525 -6.9521 -6.9521 2.4559 2.4559 2.4664 2.4664 3.4453 3.4453 3.4811 3.4811 3.9402 3.9402 3.9424 3.9424 5.2961 5.2961 5.4099 5.4099 5.6135 5.6135 5.6517 5.6517 6.0784 6.0784 6.0799 6.0799 6.9523 6.9523 6.9730 6.9730 7.6565 7.6565 7.7417 7.7417 12.7856 12.7856 12.8265 12.8265 14.1842 14.1842 14.3087 14.3087 k = 0.5000 0.2625 0.3802 ( 2692 PWs) bands (ev): -6.9579 -6.9579 -6.9576 -6.9576 2.4229 2.4229 2.4327 2.4327 3.4489 3.4489 3.4837 3.4837 3.9347 3.9347 3.9373 3.9373 5.3051 5.3051 5.4162 5.4162 5.6126 5.6126 5.6451 5.6451 6.0824 6.0824 6.0894 6.0894 7.0049 7.0049 7.0231 7.0231 7.6961 7.6961 7.7769 7.7769 12.7798 12.7798 12.8191 12.8191 14.1959 14.1959 14.3158 14.3158 k = 0.5000 0.2500 0.3802 ( 2692 PWs) bands (ev): -6.9634 -6.9634 -6.9630 -6.9630 2.3905 2.3905 2.3997 2.3997 3.4514 3.4514 3.4852 3.4852 3.9307 3.9307 3.9336 3.9336 5.3144 5.3144 5.4220 5.4220 5.6119 5.6119 5.6388 5.6388 6.0869 6.0869 6.0986 6.0986 7.0586 7.0586 7.0744 7.0744 7.7343 7.7343 7.8106 7.8106 12.7633 12.7633 12.8000 12.8000 14.2216 14.2216 14.3360 14.3360 k = 0.5000 0.2375 0.3802 ( 2688 PWs) bands (ev): -6.9688 -6.9688 -6.9684 -6.9684 2.3589 2.3589 2.3675 2.3675 3.4531 3.4531 3.4855 3.4855 3.9280 3.9280 3.9310 3.9310 5.3240 5.3240 5.4274 5.4274 5.6113 5.6113 5.6328 5.6328 6.0918 6.0918 6.1075 6.1075 7.1135 7.1135 7.1269 7.1269 7.7708 7.7708 7.8426 7.8426 12.7365 12.7365 12.7701 12.7701 14.2605 14.2605 14.3688 14.3688 k = 0.5000 0.2250 0.3802 ( 2684 PWs) bands (ev): -6.9740 -6.9740 -6.9737 -6.9737 2.3282 2.3282 2.3361 2.3361 3.4538 3.4538 3.4848 3.4848 3.9264 3.9264 3.9296 3.9296 5.3338 5.3338 5.4324 5.4324 5.6110 5.6110 5.6271 5.6271 6.0969 6.0969 6.1161 6.1161 7.1693 7.1693 7.1803 7.1803 7.8057 7.8057 7.8730 7.8730 12.7007 12.7007 12.7309 12.7309 14.3110 14.3110 14.4131 14.4131 k = 0.5000 0.2125 0.3802 ( 2686 PWs) bands (ev): -6.9792 -6.9792 -6.9788 -6.9788 2.2984 2.2984 2.3058 2.3058 3.4538 3.4538 3.4832 3.4832 3.9259 3.9259 3.9291 3.9291 5.3437 5.3437 5.4369 5.4369 5.6109 5.6109 5.6216 5.6216 6.1023 6.1023 6.1241 6.1241 7.2257 7.2257 7.2345 7.2345 7.8388 7.8388 7.9016 7.9016 12.6572 12.6572 12.6840 12.6840 14.3716 14.3716 14.4672 14.4672 k = 0.5000 0.2000 0.3802 ( 2682 PWs) bands (ev): -6.9842 -6.9842 -6.9839 -6.9839 2.2698 2.2698 2.2767 2.2767 3.4531 3.4531 3.4808 3.4808 3.9263 3.9263 3.9294 3.9294 5.3537 5.3537 5.4409 5.4409 5.6109 5.6109 5.6166 5.6166 6.1079 6.1079 6.1318 6.1318 7.2826 7.2826 7.2892 7.2892 7.8701 7.8701 7.9284 7.9284 12.6075 12.6075 12.6310 12.6310 14.4403 14.4403 14.5297 14.5297 k = 0.5000 0.1875 0.3802 ( 2682 PWs) bands (ev): -6.9890 -6.9890 -6.9887 -6.9887 2.2424 2.2424 2.2487 2.2487 3.4518 3.4518 3.4779 3.4779 3.9274 3.9274 3.9303 3.9303 5.3635 5.3635 5.4443 5.4443 5.6110 5.6110 5.6120 5.6120 6.1136 6.1136 6.1389 6.1389 7.3397 7.3397 7.3442 7.3442 7.8996 7.8996 7.9533 7.9533 12.5532 12.5532 12.5738 12.5738 14.5155 14.5155 14.5989 14.5989 k = 0.5000 0.1750 0.3802 ( 2682 PWs) bands (ev): -6.9936 -6.9936 -6.9933 -6.9933 2.2164 2.2164 2.2222 2.2222 3.4501 3.4501 3.4744 3.4744 3.9291 3.9291 3.9318 3.9318 5.3732 5.3732 5.4474 5.4474 5.6078 5.6078 5.6112 5.6112 6.1193 6.1193 6.1454 6.1454 7.3965 7.3965 7.3991 7.3991 7.9271 7.9271 7.9763 7.9763 12.4956 12.4956 12.5136 12.5136 14.5956 14.5956 14.6732 14.6732 k = 0.5000 0.1625 0.3802 ( 2682 PWs) bands (ev): -6.9980 -6.9980 -6.9978 -6.9978 2.1917 2.1917 2.1970 2.1970 3.4481 3.4481 3.4706 3.4706 3.9312 3.9312 3.9337 3.9337 5.3827 5.3827 5.4499 5.4499 5.6042 5.6042 5.6115 5.6115 6.1249 6.1249 6.1514 6.1514 7.4529 7.4529 7.4536 7.4536 7.9526 7.9526 7.9974 7.9974 12.4360 12.4360 12.4517 12.4517 14.6792 14.6792 14.7511 14.7511 k = 0.5000 0.1500 0.3802 ( 2686 PWs) bands (ev): -7.0022 -7.0022 -7.0020 -7.0020 2.1686 2.1686 2.1734 2.1734 3.4459 3.4459 3.4666 3.4666 3.9335 3.9335 3.9358 3.9358 5.3917 5.3917 5.4520 5.4520 5.6010 5.6010 5.6118 5.6118 6.1306 6.1306 6.1569 6.1569 7.5074 7.5074 7.5083 7.5083 7.9762 7.9762 8.0165 8.0165 12.3758 12.3758 12.3895 12.3895 14.7649 14.7649 14.8312 14.8312 k = 0.5000 0.1375 0.3802 ( 2686 PWs) bands (ev): -7.0061 -7.0061 -7.0059 -7.0059 2.1470 2.1470 2.1514 2.1514 3.4436 3.4436 3.4625 3.4625 3.9361 3.9361 3.9381 3.9381 5.4003 5.4003 5.4537 5.4537 5.5985 5.5985 5.6122 5.6122 6.1360 6.1360 6.1618 6.1618 7.5601 7.5601 7.5624 7.5624 7.9977 7.9977 8.0336 8.0336 12.3159 12.3159 12.3279 12.3279 14.8515 14.8515 14.9121 14.9121 k = 0.5000 0.1250 0.3802 ( 2686 PWs) bands (ev): -7.0098 -7.0098 -7.0095 -7.0095 2.1272 2.1272 2.1311 2.1311 3.4413 3.4413 3.4584 3.4584 3.9387 3.9387 3.9405 3.9405 5.4083 5.4083 5.4551 5.4551 5.5966 5.5966 5.6124 5.6124 6.1414 6.1414 6.1661 6.1661 7.6111 7.6111 7.6147 7.6147 8.0171 8.0171 8.0487 8.0487 12.2574 12.2574 12.2678 12.2678 14.9376 14.9376 14.9925 14.9925 k = 0.5000 0.1125 0.3802 ( 2686 PWs) bands (ev): -7.0131 -7.0131 -7.0129 -7.0129 2.1090 2.1090 2.1125 2.1125 3.4391 3.4391 3.4544 3.4544 3.9412 3.9412 3.9429 3.9429 5.4157 5.4157 5.4560 5.4560 5.5953 5.5953 5.6126 5.6126 6.1465 6.1465 6.1698 6.1698 7.6600 7.6600 7.6648 7.6648 8.0343 8.0343 8.0617 8.0617 12.2011 12.2011 12.2102 12.2102 15.0220 15.0220 15.0709 15.0709 k = 0.5000 0.1000 0.3802 ( 2688 PWs) bands (ev): -7.0161 -7.0161 -7.0160 -7.0160 2.0926 2.0926 2.0957 2.0957 3.4369 3.4369 3.4505 3.4505 3.9437 3.9437 3.9451 3.9451 5.4224 5.4224 5.4566 5.4566 5.5946 5.5946 5.6127 5.6127 6.1513 6.1513 6.1729 6.1729 7.7063 7.7063 7.7119 7.7119 8.0494 8.0494 8.0727 8.0727 12.1481 12.1481 12.1560 12.1560 15.1035 15.1035 15.1461 15.1461 k = 0.5000 0.0875 0.3802 ( 2688 PWs) bands (ev): -7.0188 -7.0188 -7.0187 -7.0187 2.0780 2.0780 2.0807 2.0807 3.4350 3.4350 3.4468 3.4468 3.9460 3.9460 3.9473 3.9473 5.4284 5.4284 5.4570 5.4570 5.5946 5.5946 5.6125 5.6125 6.1559 6.1559 6.1754 6.1754 7.7496 7.7496 7.7558 7.7558 8.0623 8.0623 8.0816 8.0816 12.0991 12.0991 12.1058 12.1058 15.1805 15.1805 15.2167 15.2167 k = 0.5000 0.0750 0.3802 ( 2690 PWs) bands (ev): -7.0212 -7.0212 -7.0211 -7.0211 2.0654 2.0654 2.0676 2.0676 3.4334 3.4334 3.4435 3.4435 3.9481 3.9481 3.9492 3.9492 5.4337 5.4337 5.4571 5.4571 5.5950 5.5950 5.6121 5.6121 6.1601 6.1601 6.1774 6.1774 7.7892 7.7892 7.7956 7.7956 8.0730 8.0730 8.0886 8.0886 12.0549 12.0549 12.0605 12.0605 15.2516 15.2516 15.2813 15.2813 k = 0.5000 0.0625 0.3802 ( 2692 PWs) bands (ev): -7.0232 -7.0232 -7.0231 -7.0231 2.0546 2.0546 2.0565 2.0565 3.4321 3.4321 3.4404 3.4404 3.9500 3.9500 3.9509 3.9509 5.4383 5.4383 5.4569 5.4569 5.5959 5.5959 5.6115 5.6115 6.1640 6.1640 6.1787 6.1787 7.8245 7.8245 7.8309 7.8309 8.0816 8.0816 8.0938 8.0938 12.0162 12.0162 12.0208 12.0208 15.3153 15.3153 15.3385 15.3385 k = 0.5000 0.0500 0.3802 ( 2690 PWs) bands (ev): -7.0249 -7.0249 -7.0248 -7.0248 2.0458 2.0458 2.0473 2.0473 3.4311 3.4311 3.4377 3.4377 3.9516 3.9516 3.9523 3.9523 5.4422 5.4422 5.4565 5.4565 5.5973 5.5973 5.6106 5.6106 6.1675 6.1675 6.1795 6.1795 7.8551 7.8551 7.8610 7.8610 8.0882 8.0882 8.0972 8.0972 11.9836 11.9836 11.9873 11.9873 15.3701 15.3701 15.3871 15.3871 k = 0.5000 0.0375 0.3802 ( 2688 PWs) bands (ev): -7.0262 -7.0262 -7.0261 -7.0261 2.0389 2.0389 2.0400 2.0400 3.4304 3.4304 3.4354 3.4354 3.9529 3.9529 3.9534 3.9534 5.4455 5.4455 5.4559 5.4559 5.5989 5.5989 5.6094 5.6094 6.1706 6.1706 6.1798 6.1798 7.8802 7.8802 7.8852 7.8852 8.0928 8.0928 8.0991 8.0991 11.9578 11.9578 11.9605 11.9605 15.4144 15.4144 15.4260 15.4260 k = 0.5000 0.0250 0.3802 ( 2690 PWs) bands (ev): -7.0271 -7.0271 -7.0271 -7.0271 2.0341 2.0341 2.0348 2.0348 3.4302 3.4302 3.4335 3.4335 3.9538 3.9538 3.9541 3.9541 5.4482 5.4482 5.4550 5.4550 5.6007 5.6007 5.6079 5.6079 6.1733 6.1733 6.1795 6.1795 7.8992 7.8992 7.9029 7.9029 8.0960 8.0960 8.0998 8.0998 11.9391 11.9391 11.9409 11.9409 15.4472 15.4472 15.4542 15.4542 k = 0.5000 0.0125 0.3802 ( 2688 PWs) bands (ev): -7.0277 -7.0277 -7.0276 -7.0276 2.0312 2.0312 2.0316 2.0316 3.4304 3.4304 3.4321 3.4321 3.9544 3.9544 3.9546 3.9546 5.4505 5.4505 5.4538 5.4538 5.6026 5.6026 5.6063 5.6063 6.1756 6.1756 6.1787 6.1787 7.9114 7.9114 7.9133 7.9133 8.0979 8.0979 8.0998 8.0998 11.9279 11.9279 11.9288 11.9288 15.4677 15.4677 15.4709 15.4709 k = 0.5000-0.0000 0.3802 ( 2688 PWs) bands (ev): -7.0278 -7.0278 -7.0278 -7.0278 2.0304 2.0304 2.0304 2.0304 3.4310 3.4310 3.4310 3.4310 3.9547 3.9547 3.9547 3.9547 5.4523 5.4523 5.4523 5.4523 5.6045 5.6045 5.6045 5.6045 6.1774 6.1774 6.1774 6.1774 7.9162 7.9162 7.9162 7.9162 8.0991 8.0991 8.0991 8.0991 11.9245 11.9245 11.9245 11.9245 15.4755 15.4755 15.4755 15.4755 k = 0.5000-0.0000 0.3802 ( 2688 PWs) bands (ev): -7.0278 -7.0278 -7.0278 -7.0278 2.0304 2.0304 2.0304 2.0304 3.4310 3.4310 3.4310 3.4310 3.9547 3.9547 3.9547 3.9547 5.4523 5.4523 5.4523 5.4523 5.6045 5.6045 5.6045 5.6045 6.1774 6.1774 6.1774 6.1774 7.9162 7.9162 7.9162 7.9162 8.0991 8.0991 8.0991 8.0991 11.9245 11.9245 11.9245 11.9245 15.4755 15.4755 15.4755 15.4755 k = 0.5000-0.0000 0.3675 ( 2690 PWs) bands (ev): -7.0280 -7.0280 -7.0280 -7.0280 2.0320 2.0320 2.0322 2.0322 3.4296 3.4296 3.4328 3.4328 3.9537 3.9537 3.9562 3.9562 5.4509 5.4509 5.4531 5.4531 5.6041 5.6041 5.6050 5.6050 6.1736 6.1736 6.1799 6.1799 7.9134 7.9134 7.9162 7.9162 8.0930 8.0930 8.0998 8.0998 11.9273 11.9273 11.9275 11.9275 15.4684 15.4684 15.4703 15.4703 k = 0.5000-0.0000 0.3548 ( 2692 PWs) bands (ev): -7.0285 -7.0285 -7.0284 -7.0284 2.0371 2.0371 2.0374 2.0374 3.4285 3.4285 3.4349 3.4349 3.9533 3.9533 3.9583 3.9583 5.4488 5.4488 5.4533 5.4533 5.6037 5.6037 5.6056 5.6056 6.1687 6.1687 6.1813 6.1813 7.9075 7.9075 7.9132 7.9132 8.0815 8.0815 8.0953 8.0953 11.9358 11.9358 11.9362 11.9362 15.4493 15.4493 15.4533 15.4533 k = 0.5000-0.0000 0.3422 ( 2684 PWs) bands (ev): -7.0293 -7.0293 -7.0292 -7.0292 2.0455 2.0455 2.0461 2.0461 3.4278 3.4278 3.4375 3.4375 3.9536 3.9536 3.9609 3.9609 5.4461 5.4461 5.4529 5.4529 5.6034 5.6034 5.6062 5.6062 6.1626 6.1626 6.1817 6.1817 7.8979 7.8979 7.9065 7.9065 8.0658 8.0658 8.0866 8.0866 11.9499 11.9499 11.9505 11.9505 15.4194 15.4194 15.4261 15.4261 k = 0.5000-0.0000 0.3295 ( 2682 PWs) bands (ev): -7.0303 -7.0303 -7.0303 -7.0303 2.0573 2.0573 2.0580 2.0580 3.4275 3.4275 3.4403 3.4403 3.9543 3.9543 3.9640 3.9640 5.4427 5.4427 5.4520 5.4520 5.6030 5.6030 5.6070 5.6070 6.1553 6.1553 6.1808 6.1808 7.8836 7.8836 7.8947 7.8947 8.0473 8.0473 8.0749 8.0749 11.9692 11.9692 11.9701 11.9701 15.3808 15.3808 15.3904 15.3904 k = 0.5000-0.0000 0.3168 ( 2682 PWs) bands (ev): -7.0317 -7.0317 -7.0316 -7.0316 2.0724 2.0724 2.0733 2.0733 3.4277 3.4277 3.4435 3.4435 3.9556 3.9556 3.9676 3.9676 5.4388 5.4388 5.4507 5.4507 5.6026 5.6026 5.6078 5.6078 6.1468 6.1468 6.1789 6.1789 7.8635 7.8635 7.8759 7.8759 8.0285 8.0285 8.0618 8.0618 11.9934 11.9934 11.9946 11.9946 15.3354 15.3354 15.3482 15.3482 k = 0.5000-0.0000 0.3041 ( 2684 PWs) bands (ev): -7.0333 -7.0333 -7.0332 -7.0332 2.0906 2.0906 2.0917 2.0917 3.4283 3.4283 3.4471 3.4471 3.9573 3.9573 3.9714 3.9714 5.4342 5.4342 5.4489 5.4489 5.6022 5.6022 5.6086 5.6086 6.1371 6.1371 6.1760 6.1760 7.8364 7.8364 7.8482 7.8482 8.0120 8.0120 8.0490 8.0490 12.0220 12.0220 12.0235 12.0235 15.2851 15.2851 15.3009 15.3009 k = 0.5000-0.0000 0.2915 ( 2684 PWs) bands (ev): -7.0352 -7.0352 -7.0350 -7.0350 2.1118 2.1118 2.1132 2.1132 3.4294 3.4294 3.4511 3.4511 3.9594 3.9594 3.9755 3.9755 5.4291 5.4291 5.4468 5.4468 5.6016 5.6016 5.6095 5.6095 6.1263 6.1263 6.1721 6.1721 7.8020 7.8020 7.8107 7.8107 7.9989 7.9989 8.0375 8.0375 12.0545 12.0545 12.0565 12.0565 15.2317 15.2317 15.2501 15.2501 k = 0.5000-0.0000 0.2788 ( 2688 PWs) bands (ev): -7.0373 -7.0373 -7.0371 -7.0371 2.1359 2.1359 2.1375 2.1375 3.4312 3.4312 3.4556 3.4556 3.9618 3.9618 3.9797 3.9797 5.4235 5.4235 5.4443 5.4443 5.6010 5.6010 5.6103 5.6103 6.1143 6.1143 6.1672 6.1672 7.7606 7.7606 7.7644 7.7644 7.9892 7.9892 8.0277 8.0277 12.0904 12.0904 12.0928 12.0928 15.1763 15.1763 15.1968 15.1968 k = 0.5000-0.0000 0.2661 ( 2682 PWs) bands (ev): -7.0396 -7.0396 -7.0394 -7.0394 2.1627 2.1627 2.1646 2.1646 3.4336 3.4336 3.4607 3.4607 3.9643 3.9643 3.9840 3.9840 5.4175 5.4175 5.4416 5.4416 5.6003 5.6003 5.6111 5.6111 6.1013 6.1013 6.1615 6.1615 7.7109 7.7109 7.7129 7.7129 7.9820 7.9820 8.0196 8.0196 12.1291 12.1291 12.1320 12.1320 15.1201 15.1201 15.1423 15.1423 k = 0.5000-0.0000 0.2535 ( 2686 PWs) bands (ev): -7.0421 -7.0421 -7.0419 -7.0419 2.1920 2.1920 2.1943 2.1943 3.4367 3.4367 3.4663 3.4663 3.9669 3.9669 3.9882 3.9882 5.4110 5.4110 5.4386 5.4386 5.5996 5.5996 5.6118 5.6118 6.0873 6.0873 6.1549 6.1549 7.6517 7.6517 7.6599 7.6599 7.9765 7.9765 8.0127 8.0127 12.1700 12.1700 12.1734 12.1734 15.0639 15.0639 15.0872 15.0872 k = 0.5000-0.0000 0.2408 ( 2684 PWs) bands (ev): -7.0447 -7.0447 -7.0445 -7.0445 2.2236 2.2236 2.2262 2.2262 3.4406 3.4406 3.4727 3.4727 3.9694 3.9694 3.9921 3.9921 5.4042 5.4042 5.4353 5.4353 5.5987 5.5987 5.6123 5.6123 6.0724 6.0724 6.1476 6.1476 7.5881 7.5881 7.6027 7.6027 7.9720 7.9720 8.0069 8.0069 12.2127 12.2127 12.2166 12.2166 15.0086 15.0086 15.0326 15.0326 k = 0.5000-0.0000 0.2281 ( 2684 PWs) bands (ev): -7.0475 -7.0475 -7.0472 -7.0472 2.2572 2.2572 2.2601 2.2601 3.4454 3.4454 3.4797 3.4797 3.9717 3.9717 3.9957 3.9957 5.3970 5.3970 5.4317 5.4317 5.5978 5.5978 5.6128 5.6128 6.0568 6.0568 6.1397 6.1397 7.5213 7.5213 7.5424 7.5424 7.9683 7.9683 8.0018 8.0018 12.2565 12.2565 12.2610 12.2610 14.9547 14.9547 14.9788 14.9788 k = 0.5000-0.0000 0.2154 ( 2682 PWs) bands (ev): -7.0503 -7.0503 -7.0501 -7.0501 2.2925 2.2925 2.2958 2.2958 3.4512 3.4512 3.4876 3.4876 3.9736 3.9736 3.9988 3.9988 5.3896 5.3896 5.4276 5.4276 5.5969 5.5969 5.6131 5.6131 6.0405 6.0405 6.1311 6.1311 7.4523 7.4523 7.4799 7.4799 7.9650 7.9650 7.9972 7.9972 12.3010 12.3010 12.3059 12.3059 14.9027 14.9027 14.9266 14.9266 k = 0.5000-0.0000 0.2028 ( 2682 PWs) bands (ev): -7.0532 -7.0532 -7.0530 -7.0530 2.3292 2.3292 2.3329 2.3329 3.4580 3.4580 3.4965 3.4965 3.9751 3.9751 4.0012 4.0012 5.3818 5.3818 5.4231 5.4231 5.5961 5.5961 5.6132 5.6132 6.0238 6.0238 6.1222 6.1222 7.3820 7.3820 7.4161 7.4161 7.9621 7.9621 7.9929 7.9929 12.3457 12.3457 12.3511 12.3511 14.8530 14.8530 14.8763 14.8763 k = 0.5000-0.0000 0.1901 ( 2684 PWs) bands (ev): -7.0561 -7.0561 -7.0559 -7.0559 2.3669 2.3669 2.3711 2.3711 3.4660 3.4660 3.5063 3.5063 3.9758 3.9758 4.0028 4.0028 5.3738 5.3738 5.4179 5.4179 5.5954 5.5954 5.6131 5.6131 6.0070 6.0070 6.1128 6.1128 7.3114 7.3114 7.3518 7.3518 7.9594 7.9594 7.9888 7.9888 12.3902 12.3902 12.3959 12.3959 14.8059 14.8059 14.8283 14.8283 k = 0.5000-0.0000 0.1774 ( 2684 PWs) bands (ev): -7.0590 -7.0590 -7.0588 -7.0588 2.4052 2.4052 2.4098 2.4098 3.4753 3.4753 3.5173 3.5173 3.9758 3.9758 4.0035 4.0035 5.3654 5.3654 5.4119 5.4119 5.5949 5.5949 5.6127 5.6127 5.9902 5.9902 6.1031 6.1031 7.2412 7.2412 7.2877 7.2877 7.9569 7.9569 7.9848 7.9848 12.4339 12.4339 12.4399 12.4399 14.7617 14.7617 14.7830 14.7830 k = 0.5000-0.0000 0.1647 ( 2680 PWs) bands (ev): -7.0619 -7.0619 -7.0617 -7.0617 2.4438 2.4438 2.4488 2.4488 3.4861 3.4861 3.5295 3.5295 3.9747 3.9747 4.0030 4.0030 5.3569 5.3569 5.4051 5.4051 5.5946 5.5946 5.6122 5.6122 5.9740 5.9740 6.0931 6.0931 7.1723 7.1723 7.2245 7.2245 7.9546 7.9546 7.9810 7.9810 12.4766 12.4766 12.4828 12.4828 14.7205 14.7205 14.7405 14.7405 k = 0.5000-0.0000 0.1521 ( 2684 PWs) bands (ev): -7.0647 -7.0647 -7.0645 -7.0645 2.4820 2.4820 2.4875 2.4875 3.4983 3.4983 3.5429 3.5429 3.9724 3.9724 4.0013 4.0013 5.3480 5.3480 5.3971 5.3971 5.5947 5.5947 5.6116 5.6116 5.9586 5.9586 6.0830 6.0830 7.1055 7.1055 7.1628 7.1628 7.9525 7.9525 7.9773 7.9773 12.5178 12.5178 12.5241 12.5241 14.6824 14.6824 14.7011 14.7011 k = 0.5000-0.0000 0.1394 ( 2686 PWs) bands (ev): -7.0674 -7.0674 -7.0672 -7.0672 2.5196 2.5196 2.5254 2.5254 3.5121 3.5121 3.5578 3.5578 3.9689 3.9689 3.9982 3.9982 5.3388 5.3388 5.3879 5.3879 5.5951 5.5951 5.6108 5.6108 5.9444 5.9444 6.0727 6.0727 7.0415 7.0415 7.1032 7.1032 7.9505 7.9505 7.9736 7.9736 12.5571 12.5571 12.5634 12.5634 14.6477 14.6477 14.6648 14.6648 k = 0.5000-0.0000 0.1267 ( 2690 PWs) bands (ev): -7.0700 -7.0700 -7.0698 -7.0698 2.5559 2.5559 2.5620 2.5620 3.5277 3.5277 3.5741 3.5741 3.9638 3.9638 3.9935 3.9935 5.3295 5.3295 5.3775 5.3775 5.5958 5.5958 5.6098 5.6098 5.9318 5.9318 6.0622 6.0622 6.9812 6.9812 7.0462 7.0462 7.9488 7.9488 7.9701 7.9701 12.5943 12.5943 12.6004 12.6004 14.6163 14.6163 14.6317 14.6317 k = 0.5000-0.0000 0.1141 ( 2686 PWs) bands (ev): -7.0724 -7.0724 -7.0722 -7.0722 2.5905 2.5905 2.5967 2.5967 3.5451 3.5451 3.5918 3.5918 3.9572 3.9572 3.9872 3.9872 5.3201 5.3201 5.3661 5.3661 5.5969 5.5969 5.6089 5.6089 5.9213 5.9213 6.0515 6.0515 6.9253 6.9253 6.9923 6.9923 7.9472 7.9472 7.9667 7.9667 12.6290 12.6290 12.6348 12.6348 14.5881 14.5881 14.6019 14.6019 k = 0.5000-0.0000 0.1014 ( 2684 PWs) bands (ev): -7.0746 -7.0746 -7.0745 -7.0745 2.6230 2.6230 2.6291 2.6291 3.5642 3.5642 3.6108 3.6108 3.9488 3.9488 3.9792 3.9792 5.3107 5.3107 5.3537 5.3537 5.5982 5.5982 5.6080 5.6080 5.9131 5.9131 6.0406 6.0406 6.8745 6.8745 6.9419 6.9419 7.9458 7.9458 7.9634 7.9634 12.6609 12.6609 12.6664 12.6664 14.5633 14.5633 14.5755 14.5755 k = 0.5000-0.0000 0.0887 ( 2678 PWs) bands (ev): -7.0767 -7.0767 -7.0765 -7.0765 2.6527 2.6527 2.6587 2.6587 3.5849 3.5849 3.6310 3.6310 3.9388 3.9388 3.9694 3.9694 5.3017 5.3017 5.3407 5.3407 5.5996 5.5996 5.6072 5.6072 5.9077 5.9077 6.0294 6.0294 6.8295 6.8295 6.8953 6.8953 7.9447 7.9447 7.9603 7.9603 12.6897 12.6897 12.6947 12.6947 14.5418 14.5418 14.5523 14.5523 k = 0.5000-0.0000 0.0760 ( 2674 PWs) bands (ev): -7.0785 -7.0785 -7.0783 -7.0783 2.6795 2.6795 2.6851 2.6851 3.6070 3.6070 3.6521 3.6521 3.9272 3.9272 3.9578 3.9578 5.2931 5.2931 5.3276 5.3276 5.6010 5.6010 5.6065 5.6065 5.9050 5.9050 6.0178 6.0178 6.7907 6.7907 6.8529 6.8529 7.9439 7.9439 7.9574 7.9574 12.7153 12.7153 12.7198 12.7198 14.5234 14.5234 14.5323 14.5323 k = 0.5000-0.0000 0.0634 ( 2670 PWs) bands (ev): -7.0800 -7.0800 -7.0799 -7.0799 2.7028 2.7028 2.7078 2.7078 3.6302 3.6302 3.6734 3.6734 3.9143 3.9143 3.9445 3.9445 5.2855 5.2855 5.3147 5.3147 5.6022 5.6022 5.6059 5.6059 5.9052 5.9052 6.0057 6.0057 6.7587 6.7587 6.8151 6.8151 7.9433 7.9433 7.9546 7.9546 12.7373 12.7373 12.7412 12.7412 14.5082 14.5082 14.5155 14.5155 k = 0.5000-0.0000 0.0507 ( 2668 PWs) bands (ev): -7.0813 -7.0813 -7.0812 -7.0812 2.7224 2.7224 2.7267 2.7267 3.6539 3.6539 3.6940 3.6940 3.9006 3.9006 3.9298 3.9298 5.2791 5.2791 5.3028 5.3028 5.6032 5.6032 5.6055 5.6055 5.9081 5.9081 5.9932 5.9932 6.7337 6.7337 6.7822 6.7822 7.9430 7.9430 7.9522 7.9522 12.7557 12.7557 12.7589 12.7589 14.4960 14.4960 14.5017 14.5017 k = 0.5000-0.0000 0.0380 ( 2670 PWs) bands (ev): -7.0823 -7.0823 -7.0823 -7.0823 2.7380 2.7380 2.7414 2.7414 3.6773 3.6773 3.7127 3.7127 3.8874 3.8874 3.9142 3.9142 5.2742 5.2742 5.2921 5.2921 5.6040 5.6040 5.6052 5.6052 5.9136 5.9136 5.9803 5.9803 6.7160 6.7160 6.7544 6.7544 7.9431 7.9431 7.9499 7.9499 12.7702 12.7702 12.7727 12.7727 14.4867 14.4867 14.4910 14.4910 k = 0.5000-0.0000 0.0253 ( 2672 PWs) bands (ev): -7.0831 -7.0831 -7.0830 -7.0830 2.7494 2.7494 2.7518 2.7518 3.6992 3.6992 3.7269 3.7269 3.8767 3.8767 3.8986 3.8986 5.2714 5.2714 5.2833 5.2833 5.6045 5.6045 5.6051 5.6051 5.9215 5.9215 5.9674 5.9674 6.7055 6.7055 6.7322 6.7322 7.9434 7.9434 7.9480 7.9480 12.7808 12.7808 12.7825 12.7825 14.4804 14.4804 14.4832 14.4832 k = 0.5000-0.0000 0.0127 ( 2672 PWs) bands (ev): -7.0835 -7.0835 -7.0835 -7.0835 2.7566 2.7566 2.7578 2.7578 3.7177 3.7177 3.7336 3.7336 3.8716 3.8716 3.8845 3.8845 5.2707 5.2707 5.2767 5.2767 5.6048 5.6048 5.6050 5.6050 5.9312 5.9312 5.9546 5.9546 6.7022 6.7022 6.7158 6.7158 7.9440 7.9440 7.9464 7.9464 12.7874 12.7874 12.7882 12.7882 14.4768 14.4768 14.4783 14.4783 k = 0.5000-0.0000-0.0000 ( 2672 PWs) bands (ev): -7.0836 -7.0836 -7.0836 -7.0836 2.7594 2.7594 2.7594 2.7594 3.7302 3.7302 3.7302 3.7302 3.8745 3.8745 3.8745 3.8745 5.2725 5.2725 5.2725 5.2725 5.6049 5.6049 5.6049 5.6049 5.9424 5.9424 5.9424 5.9424 6.7058 6.7058 6.7058 6.7058 7.9450 7.9450 7.9450 7.9450 12.7899 12.7899 12.7899 12.7899 14.4761 14.4761 14.4761 14.4761 k = 0.0000 0.0000 0.3802 ( 2650 PWs) bands (ev): -7.3900 -7.3900 -7.0510 -7.0510 2.7983 2.7983 3.1794 3.1794 3.9525 3.9525 4.6187 4.6187 4.7784 4.7784 4.8503 4.8503 4.9314 4.9314 5.3694 5.3694 5.5441 5.5441 5.6449 5.6449 5.7457 5.7457 5.9099 5.9099 6.2112 6.2112 6.4420 6.4420 6.6247 6.6247 7.0296 7.0296 11.4055 11.4055 12.3570 12.3570 14.2792 14.2792 16.2688 16.2688 k = 0.0125-0.0000 0.3802 ( 2652 PWs) bands (ev): -7.3896 -7.3896 -7.0508 -7.0508 2.7982 2.7982 3.1760 3.1760 3.9523 3.9523 4.6152 4.6152 4.7712 4.7712 4.8513 4.8513 4.9340 4.9340 5.3712 5.3712 5.5297 5.5297 5.6460 5.6460 5.7541 5.7541 5.9146 5.9146 6.2152 6.2152 6.4413 6.4413 6.6287 6.6287 7.0337 7.0337 11.4062 11.4062 12.3597 12.3597 14.2800 14.2800 16.2684 16.2684 k = 0.0250-0.0000 0.3802 ( 2656 PWs) bands (ev): -7.3885 -7.3885 -7.0503 -7.0503 2.7979 2.7979 3.1660 3.1660 3.9517 3.9517 4.6051 4.6051 4.7502 4.7502 4.8551 4.8551 4.9404 4.9404 5.3757 5.3757 5.4962 5.4962 5.6462 5.6462 5.7719 5.7719 5.9305 5.9305 6.2267 6.2267 6.4395 6.4395 6.6407 6.6407 7.0459 7.0459 11.4083 11.4083 12.3676 12.3676 14.2824 14.2824 16.2671 16.2671 k = 0.0375-0.0000 0.3802 ( 2656 PWs) bands (ev): -7.3865 -7.3865 -7.0494 -7.0494 2.7973 2.7973 3.1497 3.1497 3.9505 3.9505 4.5889 4.5889 4.7177 4.7177 4.8618 4.8618 4.9481 4.9481 5.3806 5.3806 5.4574 5.4574 5.6440 5.6440 5.7876 5.7876 5.9595 5.9595 6.2447 6.2447 6.4382 6.4382 6.6592 6.6592 7.0660 7.0660 11.4117 11.4117 12.3808 12.3808 14.2864 14.2864 16.2648 16.2648 k = 0.0500-0.0000 0.3802 ( 2658 PWs) bands (ev): -7.3838 -7.3838 -7.0482 -7.0482 2.7965 2.7965 3.1273 3.1273 3.9488 3.9488 4.5672 4.5672 4.6770 4.6770 4.8695 4.8695 4.9559 4.9559 5.3758 5.3758 5.4288 5.4288 5.6401 5.6401 5.7973 5.7973 5.9997 5.9997 6.2677 6.2677 6.4391 6.4391 6.6831 6.6831 7.0934 7.0934 11.4164 11.4164 12.3992 12.3992 14.2921 14.2921 16.2610 16.2610 k = 0.0625-0.0000 0.3802 ( 2658 PWs) bands (ev): -7.3803 -7.3803 -7.0466 -7.0466 2.7954 2.7954 3.0996 3.0996 3.9463 3.9463 4.5395 4.5395 4.6312 4.6312 4.8756 4.8756 4.9641 4.9641 5.3483 5.3483 5.4258 5.4258 5.6355 5.6355 5.8027 5.8027 6.0459 6.0459 6.2946 6.2946 6.4445 6.4445 6.7114 6.7114 7.1274 7.1274 11.4223 11.4223 12.4229 12.4229 14.2997 14.2997 16.2458 16.2458 k = 0.0750-0.0000 0.3802 ( 2658 PWs) bands (ev): -7.3761 -7.3761 -7.0448 -7.0448 2.7939 2.7939 3.0670 3.0670 3.9429 3.9429 4.5041 4.5041 4.5845 4.5845 4.8771 4.8771 4.9738 4.9738 5.3137 5.3137 5.4342 5.4342 5.6311 5.6311 5.8065 5.8065 6.0927 6.0927 6.3246 6.3246 6.4563 6.4563 6.7431 6.7431 7.1673 7.1673 11.4291 11.4291 12.4517 12.4517 14.3092 14.3092 16.1178 16.1178 k = 0.0875-0.0000 0.3802 ( 2658 PWs) bands (ev): -7.3711 -7.3711 -7.0426 -7.0426 2.7920 2.7920 3.0301 3.0301 3.9386 3.9386 4.4584 4.4584 4.5412 4.5412 4.8714 4.8714 4.9860 4.9860 5.2823 5.2823 5.4444 5.4444 5.6276 5.6276 5.8100 5.8100 6.1357 6.1357 6.3582 6.3582 6.4761 6.4761 6.7777 6.7777 7.2121 7.2121 11.4367 11.4367 12.4857 12.4857 14.3209 14.3209 15.9598 15.9598 k = 0.1000-0.0000 0.3802 ( 2664 PWs) bands (ev): -7.3654 -7.3654 -7.0402 -7.0402 2.7895 2.7895 2.9897 2.9897 3.9333 3.9333 4.4022 4.4022 4.5030 4.5030 4.8575 4.8575 5.0009 5.0009 5.2571 5.2571 5.4541 5.4541 5.6257 5.6257 5.8139 5.8139 6.1712 6.1712 6.3969 6.3969 6.5043 6.5043 6.8149 6.8149 7.2608 7.2608 11.4451 11.4451 12.5248 12.5248 14.3349 14.3349 15.8013 15.8013 k = 0.1125-0.0000 0.3802 ( 2664 PWs) bands (ev): -7.3591 -7.3591 -7.0376 -7.0376 2.7863 2.7863 2.9463 2.9463 3.9268 3.9268 4.3386 4.3386 4.4682 4.4682 4.8356 4.8356 5.0179 5.0179 5.2389 5.2389 5.4624 5.4624 5.6258 5.6258 5.8186 5.8186 6.1973 6.1973 6.4423 6.4423 6.5400 6.5400 6.8544 6.8544 7.3126 7.3126 11.4539 11.4539 12.5688 12.5688 14.3514 14.3514 15.6439 15.6439 k = 0.1250-0.0000 0.3802 ( 2670 PWs) bands (ev): -7.3520 -7.3520 -7.0347 -7.0347 2.7823 2.7823 2.9005 2.9005 3.9191 3.9191 4.2707 4.2707 4.4349 4.4349 4.8068 4.8068 5.0363 5.0363 5.2273 5.2273 5.4690 5.4690 5.6277 5.6277 5.8241 5.8241 6.2151 6.2151 6.4941 6.4941 6.5819 6.5819 6.8960 6.8960 7.3666 7.3666 11.4629 11.4629 12.6176 12.6176 14.3705 14.3705 15.4880 15.4880 k = 0.1375-0.0000 0.3802 ( 2672 PWs) bands (ev): -7.3443 -7.3443 -7.0316 -7.0316 2.7770 2.7770 2.8533 2.8533 3.9103 3.9103 4.2005 4.2005 4.4023 4.4023 4.7729 4.7729 5.0555 5.0555 5.2216 5.2216 5.4741 5.4741 5.6313 5.6313 5.8306 5.8306 6.2267 6.2267 6.5507 6.5507 6.6286 6.6286 6.9397 6.9397 7.4218 7.4218 11.4720 11.4720 12.6711 12.6711 14.3924 14.3924 15.3340 15.3340 k = 0.1500-0.0000 0.3802 ( 2668 PWs) bands (ev): -7.3360 -7.3360 -7.0283 -7.0283 2.7689 2.7689 2.8064 2.8064 3.9003 3.9003 4.1293 4.1293 4.3701 4.3701 4.7354 4.7354 5.0750 5.0750 5.2206 5.2206 5.4780 5.4780 5.6361 5.6361 5.8378 5.8378 6.2343 6.2343 6.6102 6.6102 6.6790 6.6790 6.9853 6.9853 7.4775 7.4775 11.4810 11.4810 12.7290 12.7290 14.4172 14.4172 15.1826 15.1826 k = 0.1625-0.0000 0.3802 ( 2672 PWs) bands (ev): -7.3272 -7.3272 -7.0250 -7.0250 2.7449 2.7449 2.7732 2.7732 3.8891 3.8891 4.0581 4.0581 4.3384 4.3384 4.6955 4.6955 5.0947 5.0947 5.2232 5.2232 5.4809 5.4809 5.6417 5.6417 5.8459 5.8459 6.2396 6.2396 6.6714 6.6714 6.7324 6.7324 7.0327 7.0327 7.5331 7.5331 11.4897 11.4897 12.7909 12.7909 14.4446 14.4446 15.0344 15.0344 k = 0.1750-0.0000 0.3802 ( 2678 PWs) bands (ev): -7.3177 -7.3177 -7.0215 -7.0215 2.6984 2.6984 2.7604 2.7604 3.8767 3.8767 3.9878 3.9878 4.3071 4.3071 4.6543 4.6543 5.1143 5.1143 5.2285 5.2285 5.4833 5.4833 5.6475 5.6475 5.8547 5.8547 6.2434 6.2434 6.7334 6.7334 6.7882 6.7882 7.0818 7.0818 7.5879 7.5879 11.4980 11.4980 12.8565 12.8565 14.4740 14.4740 14.8907 14.8907 k = 0.1875-0.0000 0.3802 ( 2688 PWs) bands (ev): -7.3078 -7.3078 -7.0180 -7.0180 2.6485 2.6485 2.7493 2.7493 3.8631 3.8631 3.9194 3.9194 4.2765 4.2765 4.6127 4.6127 5.1337 5.1337 5.2359 5.2359 5.4853 5.4853 5.6533 5.6533 5.8642 5.8642 6.2464 6.2464 6.7955 6.7955 6.8456 6.8456 7.1324 7.1324 7.6415 7.6415 11.5058 11.5058 12.9250 12.9250 14.5023 14.5023 14.7552 14.7552 k = 0.2000-0.0000 0.3802 ( 2694 PWs) bands (ev): -7.2974 -7.2974 -7.0144 -7.0144 2.5982 2.5982 2.7367 2.7367 3.8458 3.8458 3.8560 3.8560 4.2465 4.2465 4.5712 4.5712 5.1529 5.1529 5.2450 5.2450 5.4873 5.4873 5.6588 5.6588 5.8743 5.8743 6.2489 6.2489 6.8577 6.8577 6.9042 6.9042 7.1844 7.1844 7.6935 7.6935 11.5129 11.5129 12.9957 12.9957 14.5108 14.5108 14.6478 14.6478 k = 0.2125-0.0000 0.3802 ( 2700 PWs) bands (ev): -7.2865 -7.2865 -7.0109 -7.0109 2.5484 2.5484 2.7220 2.7220 3.7892 3.7892 3.8342 3.8342 4.2174 4.2174 4.5302 4.5302 5.1719 5.1719 5.2552 5.2552 5.4892 5.4892 5.6638 5.6638 5.8851 5.8851 6.2511 6.2511 6.9196 6.9196 6.9634 6.9634 7.2374 7.2374 7.7434 7.7434 11.5193 11.5193 13.0672 13.0672 14.4386 14.4386 14.6303 14.6303 k = 0.2250-0.0000 0.3802 ( 2700 PWs) bands (ev): -7.2753 -7.2753 -7.0075 -7.0075 2.4993 2.4993 2.7048 2.7048 3.7301 3.7301 3.8176 3.8176 4.1893 4.1893 4.4900 4.4900 5.1906 5.1906 5.2664 5.2664 5.4912 5.4912 5.6682 5.6682 5.8965 5.8965 6.2531 6.2531 6.9814 6.9814 7.0228 7.0228 7.2913 7.2913 7.7911 7.7911 11.5251 11.5251 13.1375 13.1375 14.3260 14.3260 14.6644 14.6644 k = 0.2375-0.0000 0.3802 ( 2698 PWs) bands (ev): -7.2637 -7.2637 -7.0041 -7.0041 2.4514 2.4514 2.6848 2.6848 3.6751 3.6751 3.8004 3.8004 4.1622 4.1622 4.4509 4.4509 5.2090 5.2090 5.2784 5.2784 5.4933 5.4933 5.6719 5.6719 5.9083 5.9083 6.2548 6.2548 7.0428 7.0428 7.0820 7.0820 7.3457 7.3457 7.8362 7.8362 11.5304 11.5304 13.2033 13.2033 14.2158 14.2158 14.7103 14.7103 k = 0.2500-0.0000 0.3802 ( 2688 PWs) bands (ev): -7.2518 -7.2518 -7.0009 -7.0009 2.4049 2.4049 2.6619 2.6619 3.6248 3.6248 3.7826 3.7826 4.1364 4.1364 4.4130 4.4130 5.2272 5.2272 5.2909 5.2909 5.4956 5.4956 5.6748 5.6748 5.9207 5.9207 6.2563 6.2563 7.1037 7.1037 7.1407 7.1407 7.4002 7.4002 7.8786 7.8786 11.5351 11.5351 13.2591 13.2591 14.1195 14.1195 14.7617 14.7617 k = 0.2625-0.0000 0.3802 ( 2690 PWs) bands (ev): -7.2396 -7.2396 -6.9979 -6.9979 2.3601 2.3601 2.6359 2.6359 3.5796 3.5796 3.7641 3.7641 4.1118 4.1118 4.3763 4.3763 5.2448 5.2448 5.3037 5.3037 5.4980 5.4980 5.6771 5.6771 5.9335 5.9335 6.2574 6.2574 7.1641 7.1641 7.1987 7.1987 7.4546 7.4546 7.9182 7.9182 11.5396 11.5396 13.2963 13.2963 14.0468 14.0468 14.8171 14.8171 k = 0.2750-0.0000 0.3802 ( 2690 PWs) bands (ev): -7.2273 -7.2273 -6.9952 -6.9952 2.3171 2.3171 2.6069 2.6069 3.5395 3.5395 3.7450 3.7450 4.0886 4.0886 4.3410 4.3410 5.2621 5.2621 5.3169 5.3169 5.5004 5.5004 5.6786 5.6786 5.9466 5.9466 6.2583 6.2583 7.2236 7.2236 7.2559 7.2559 7.5083 7.5083 7.9548 7.9548 11.5439 11.5439 13.3045 13.3045 14.0083 14.0083 14.8757 14.8757 k = 0.2875-0.0000 0.3802 ( 2690 PWs) bands (ev): -7.2148 -7.2148 -6.9927 -6.9927 2.2763 2.2763 2.5750 2.5750 3.5047 3.5047 3.7256 3.7256 4.0668 4.0668 4.3071 4.3071 5.2788 5.2788 5.3303 5.3303 5.5031 5.5031 5.6794 5.6794 5.9600 5.9600 6.2587 6.2587 7.2822 7.2822 7.3122 7.3122 7.5611 7.5611 7.9883 7.9883 11.5483 11.5483 13.2776 13.2776 14.0102 14.0102 14.9370 14.9370 k = 0.3000-0.0000 0.3802 ( 2688 PWs) bands (ev): -7.2022 -7.2022 -6.9906 -6.9906 2.2377 2.2377 2.5407 2.5407 3.4751 3.4751 3.7059 3.7059 4.0466 4.0466 4.2747 4.2747 5.2949 5.2949 5.3439 5.3439 5.5058 5.5058 5.6796 5.6796 5.9737 5.9737 6.2587 6.2587 7.3397 7.3397 7.3675 7.3675 7.6126 7.6126 8.0188 8.0188 11.5530 11.5530 13.2199 13.2199 14.0480 14.0480 15.0004 15.0004 k = 0.3125-0.0000 0.3802 ( 2690 PWs) bands (ev): -7.1895 -7.1895 -6.9888 -6.9888 2.2016 2.2016 2.5042 2.5042 3.4503 3.4503 3.6860 3.6860 4.0279 4.0279 4.2437 4.2437 5.3103 5.3103 5.3574 5.3574 5.5086 5.5086 5.6791 5.6791 5.9875 5.9875 6.2581 6.2581 7.3957 7.3957 7.4216 7.4216 7.6625 7.6625 8.0461 8.0461 11.5584 11.5584 13.1418 13.1418 14.1111 14.1111 15.0656 15.0656 k = 0.3250-0.0000 0.3802 ( 2690 PWs) bands (ev): -7.1769 -7.1769 -6.9875 -6.9875 2.1681 2.1681 2.4662 2.4662 3.4301 3.4301 3.6660 3.6660 4.0109 4.0109 4.2142 4.2142 5.3250 5.3250 5.3710 5.3710 5.5115 5.5115 5.6780 5.6780 6.0014 6.0014 6.2570 6.2570 7.4501 7.4501 7.4744 7.4744 7.7103 7.7103 8.0702 8.0702 11.5647 11.5647 13.0523 13.0523 14.1901 14.1901 15.1320 15.1320 k = 0.3375-0.0000 0.3802 ( 2692 PWs) bands (ev): -7.1643 -7.1643 -6.9866 -6.9866 2.1374 2.1374 2.4272 2.4272 3.4140 3.4140 3.6460 3.6460 3.9955 3.9955 4.1862 4.1862 5.3390 5.3390 5.3844 5.3844 5.5147 5.5147 5.6764 5.6764 6.0153 6.0153 6.2554 6.2554 7.5027 7.5027 7.5257 7.5257 7.7559 7.7559 8.0912 8.0912 11.5723 11.5723 12.9575 12.9575 14.2788 14.2788 15.1993 15.1993 k = 0.3500-0.0000 0.3802 ( 2696 PWs) bands (ev): -7.1518 -7.1518 -6.9862 -6.9862 2.1096 2.1096 2.3877 2.3877 3.4016 3.4016 3.6262 3.6262 3.9818 3.9818 4.1596 4.1596 5.3522 5.3522 5.3974 5.3974 5.5180 5.5180 5.6741 5.6741 6.0292 6.0292 6.2532 6.2532 7.5532 7.5532 7.5753 7.5753 7.7989 7.7989 8.1090 8.1090 11.5815 11.5815 12.8608 12.8608 14.3732 14.3732 15.2668 15.2668 k = 0.3625-0.0000 0.3802 ( 2696 PWs) bands (ev): -7.1395 -7.1395 -6.9863 -6.9863 2.0848 2.0848 2.3482 2.3482 3.3926 3.3926 3.6066 3.6066 3.9699 3.9699 4.1345 4.1345 5.3646 5.3646 5.4099 5.4099 5.5217 5.5217 5.6714 5.6714 6.0430 6.0430 6.2503 6.2503 7.6017 7.6017 7.6230 7.6230 7.8391 7.8391 8.1237 8.1237 11.5925 11.5925 12.7645 12.7645 14.4711 14.4711 15.3340 15.3340 k = 0.3750-0.0000 0.3802 ( 2694 PWs) bands (ev): -7.1274 -7.1274 -6.9870 -6.9870 2.0631 2.0631 2.3094 2.3094 3.3864 3.3864 3.5874 3.5874 3.9597 3.9597 4.1108 4.1108 5.3762 5.3762 5.4214 5.4214 5.5259 5.5259 5.6680 5.6680 6.0568 6.0568 6.2468 6.2468 7.6478 7.6478 7.6684 7.6684 7.8763 7.8763 8.1353 8.1353 11.6059 11.6059 12.6699 12.6699 14.5706 14.5706 15.4005 15.4005 k = 0.3875-0.0000 0.3802 ( 2692 PWs) bands (ev): -7.1155 -7.1155 -6.9882 -6.9882 2.0446 2.0446 2.2716 2.2716 3.3829 3.3829 3.5686 3.5686 3.9513 3.9513 4.0886 4.0886 5.3872 5.3872 5.4318 5.4318 5.5307 5.5307 5.6642 5.6642 6.0703 6.0703 6.2427 6.2427 7.6914 7.6914 7.7113 7.7113 7.9104 7.9104 8.1437 8.1437 11.6217 11.6217 12.5778 12.5778 14.6707 14.6707 15.4656 15.4656 k = 0.4000-0.0000 0.3802 ( 2692 PWs) bands (ev): -7.1040 -7.1040 -6.9900 -6.9900 2.0294 2.0294 2.2352 2.2352 3.3816 3.3816 3.5504 3.5504 3.9447 3.9447 4.0678 4.0678 5.3973 5.3973 5.4406 5.4406 5.5363 5.5363 5.6598 5.6598 6.0837 6.0837 6.2379 6.2379 7.7322 7.7322 7.7513 7.7513 7.9413 7.9413 8.1491 8.1491 11.6405 11.6405 12.4888 12.4888 14.7703 14.7703 15.5283 15.5283 k = 0.4125-0.0000 0.3802 ( 2692 PWs) bands (ev): -7.0928 -7.0928 -6.9925 -6.9925 2.0176 2.0176 2.2006 2.2006 3.3824 3.3824 3.5327 3.5327 3.9399 3.9399 4.0485 4.0485 5.4068 5.4068 5.4478 5.4478 5.5429 5.5429 5.6548 5.6548 6.0967 6.0967 6.2325 6.2325 7.7700 7.7700 7.7881 7.7881 7.9690 7.9690 8.1516 8.1516 11.6624 11.6624 12.4034 12.4034 14.8688 14.8688 15.5873 15.5873 k = 0.4250-0.0000 0.3802 ( 2696 PWs) bands (ev): -7.0820 -7.0820 -6.9956 -6.9956 2.0091 2.0091 2.1682 2.1682 3.3850 3.3850 3.5157 3.5157 3.9368 3.9368 4.0305 4.0305 5.4155 5.4155 5.4531 5.4531 5.5504 5.5504 5.6492 5.6492 6.1095 6.1095 6.2265 6.2265 7.8044 7.8044 7.8212 7.8212 7.9937 7.9937 8.1512 8.1512 11.6878 11.6878 12.3219 12.3219 14.9654 14.9654 15.6390 15.6390 k = 0.4375-0.0000 0.3802 ( 2696 PWs) bands (ev): -7.0717 -7.0717 -6.9993 -6.9993 2.0040 2.0040 2.1381 2.1381 3.3893 3.3893 3.4994 3.4994 3.9355 3.9355 4.0141 4.0141 5.4235 5.4235 5.4566 5.4566 5.5587 5.5587 5.6431 5.6431 6.1218 6.1218 6.2198 6.2198 7.8351 7.8351 7.8503 7.8503 8.0157 8.0157 8.1481 8.1481 11.7169 11.7169 12.2445 12.2445 15.0595 15.0595 15.6753 15.6753 k = 0.4500-0.0000 0.3802 ( 2696 PWs) bands (ev): -7.0618 -7.0618 -7.0037 -7.0037 2.0025 2.0025 2.1107 2.1107 3.3951 3.3951 3.4840 3.4840 3.9359 3.9359 3.9992 3.9992 5.4308 5.4308 5.4584 5.4584 5.5676 5.5676 5.6364 5.6364 6.1338 6.1338 6.2125 6.2125 7.8615 7.8615 7.8748 7.8748 8.0353 8.0353 8.1424 8.1424 11.7499 11.7499 12.1715 12.1715 15.1507 15.1507 15.6812 15.6812 k = 0.4625-0.0000 0.3802 ( 2690 PWs) bands (ev): -7.0525 -7.0525 -7.0088 -7.0088 2.0043 2.0043 2.0860 2.0860 3.4022 3.4022 3.4693 3.4693 3.9381 3.9381 3.9857 3.9857 5.4374 5.4374 5.4587 5.4587 5.5768 5.5768 5.6292 5.6292 6.1454 6.1454 6.2046 6.2046 7.8833 7.8833 7.8941 7.8941 8.0530 8.0530 8.1344 8.1344 11.7870 11.7870 12.1029 12.1029 15.2384 15.2384 15.6531 15.6531 k = 0.4750-0.0000 0.3802 ( 2686 PWs) bands (ev): -7.0437 -7.0437 -7.0145 -7.0145 2.0096 2.0096 2.0644 2.0644 3.4107 3.4107 3.4556 3.4556 3.9420 3.9420 3.9738 3.9738 5.4432 5.4432 5.4577 5.4577 5.5862 5.5862 5.6215 5.6215 6.1566 6.1566 6.1961 6.1961 7.9000 7.9000 7.9077 7.9077 8.0694 8.0694 8.1243 8.1243 11.8284 11.8284 12.0388 12.0388 15.3221 15.3221 15.6042 15.6042 k = 0.4875-0.0000 0.3802 ( 2688 PWs) bands (ev): -7.0355 -7.0355 -7.0208 -7.0208 2.0183 2.0183 2.0458 2.0458 3.4203 3.4203 3.4428 3.4428 3.9475 3.9475 3.9634 3.9634 5.4482 5.4482 5.4555 5.4555 5.5955 5.5955 5.6132 5.6132 6.1672 6.1672 6.1870 6.1870 7.9110 7.9110 7.9151 7.9151 8.0847 8.0847 8.1124 8.1124 11.8742 11.8742 11.9794 11.9794 15.4014 15.4014 15.5437 15.5437 k = 0.5000-0.0000 0.3802 ( 2688 PWs) bands (ev): -7.0278 -7.0278 -7.0278 -7.0278 2.0304 2.0304 2.0304 2.0304 3.4310 3.4310 3.4310 3.4310 3.9547 3.9547 3.9547 3.9547 5.4523 5.4523 5.4523 5.4523 5.6045 5.6045 5.6045 5.6045 6.1774 6.1774 6.1774 6.1774 7.9162 7.9162 7.9162 7.9162 8.0991 8.0991 8.0991 8.0991 11.9245 11.9245 11.9245 11.9245 15.4755 15.4755 15.4755 15.4755 Writing output data file AgCl.save init_run : 2.97s CPU 13.60s WALL ( 1 calls) electrons : 399.56s CPU 405.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.28s CPU 1.57s WALL ( 1 calls) Called by electrons: c_bands : 399.47s CPU 404.63s WALL ( 1 calls) v_of_rho : 0.08s CPU 1.01s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.06s CPU 0.66s WALL ( 1 calls) newd : 0.45s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 337 calls) cegterg : 313.54s CPU 315.96s WALL ( 690 calls) Called by sum_band: Called by *egterg: h_psi : 129.05s CPU 134.53s WALL ( 10077 calls) s_psi : 21.45s CPU 21.90s WALL ( 10077 calls) g_psi : 0.24s CPU 0.33s WALL ( 9050 calls) cdiaghg : 117.66s CPU 115.99s WALL ( 9387 calls) cegterg:over : 30.46s CPU 27.64s WALL ( 9050 calls) cegterg:upda : 3.43s CPU 5.67s WALL ( 9050 calls) cegterg:last : 3.67s CPU 4.32s WALL ( 1701 calls) Called by h_psi: h_psi:vloc : 89.48s CPU 93.92s WALL ( 10077 calls) h_psi:vnl : 39.47s CPU 40.26s WALL ( 10077 calls) add_vuspsi : 13.13s CPU 16.26s WALL ( 10077 calls) General routines calbec : 26.30s CPU 23.90s WALL ( 10077 calls) fft : 0.37s CPU 1.46s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 86.36s CPU 90.06s WALL ( 931988 calls) interpolate : 0.03s CPU 0.10s WALL ( 4 calls) davcio : 0.02s CPU 1.02s WALL ( 674 calls) Parallel routines fft_scatter : 60.97s CPU 63.24s WALL ( 932011 calls) PWSCF : 7m30.48s CPU 9m 2.63s WALL This run was terminated on: 21:54: 3 30May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=