Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 9:24:41 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Rb2CrCl4.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 72 72 20 1888 1888 275 Max 73 73 21 1891 1891 277 Sum 5215 5215 1449 136037 136037 19873 bravais-lattice index = 14 lattice parameter (alat) = 16.4075 a.u. unit-cell volume = 1406.8079 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.407504 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.824633 celldm(5)= -0.824633 celldm(6)= 0.649267 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.649267 0.760561 0.000000 ) a(3) = ( -0.824633 -0.380280 0.418768 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.853669 1.193979 ) b(2) = ( 0.000000 1.314820 1.193979 ) b(3) = ( 0.000000 0.000000 2.387958 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 PseudoPot. # 2 for Cl read from file: /users/gautes/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. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 Cr 14.00 51.99610 Cr( 1.00) Cl 7.00 35.45300 Cl( 1.00) Rb 9.00 85.46780 Rb( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0271359), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0542718), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0814076), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.1085435), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.1356794), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.1628153), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1899512), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.2170871), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.2442229), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.2713588), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.2984947), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.3256306), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.3527665), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.3799023), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.4070382), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.4341741), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.4613100), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.4884459), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.5155818), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.5427176), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.5698535), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.5969894), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.6241253), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.6512612), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.6783970), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.7055329), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.7326688), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.7598047), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.7869406), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.8140765), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.8412123), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.8683482), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.8954841), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.9226200), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.9497559), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.9768917), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 1.0040276), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 1.0311635), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 1.0582994), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 1.0854353), wk = 0.0036765 k( 42) = ( 0.0000000 0.0000000 1.1125712), wk = 0.0036765 k( 43) = ( 0.0000000 0.0000000 1.1397070), wk = 0.0036765 k( 44) = ( 0.0000000 0.0000000 1.1668429), wk = 0.0036765 k( 45) = ( 0.0000000 0.0000000 1.1939788), wk = 0.0036765 k( 46) = ( 0.0000000 0.0000000 1.1939788), wk = 0.0036765 k( 47) = ( -0.0106330 0.0230575 1.1939788), wk = 0.0036765 k( 48) = ( -0.0212660 0.0461151 1.1939788), wk = 0.0036765 k( 49) = ( -0.0318990 0.0691726 1.1939788), wk = 0.0036765 k( 50) = ( -0.0425320 0.0922301 1.1939788), wk = 0.0036765 k( 51) = ( -0.0531650 0.1152877 1.1939788), wk = 0.0036765 k( 52) = ( -0.0531650 0.1152877 1.1939788), wk = 0.0036765 k( 53) = ( -0.0611442 0.1325905 1.1749248), wk = 0.0036765 k( 54) = ( -0.0691234 0.1498933 1.1558708), wk = 0.0036765 k( 55) = ( -0.0771026 0.1671961 1.1368169), wk = 0.0036765 k( 56) = ( -0.0850818 0.1844989 1.1177629), wk = 0.0036765 k( 57) = ( -0.0930610 0.2018016 1.0987089), wk = 0.0036765 k( 58) = ( -0.1010402 0.2191044 1.0796549), wk = 0.0036765 k( 59) = ( -0.1090194 0.2364072 1.0606009), wk = 0.0036765 k( 60) = ( -0.1169986 0.2537100 1.0415469), wk = 0.0036765 k( 61) = ( -0.1249778 0.2710128 1.0224930), wk = 0.0036765 k( 62) = ( -0.1329570 0.2883156 1.0034390), wk = 0.0036765 k( 63) = ( -0.1409362 0.3056184 0.9843850), wk = 0.0036765 k( 64) = ( -0.1489154 0.3229212 0.9653310), wk = 0.0036765 k( 65) = ( -0.1568946 0.3402240 0.9462770), wk = 0.0036765 k( 66) = ( -0.1648738 0.3575268 0.9272230), wk = 0.0036765 k( 67) = ( -0.1728530 0.3748296 0.9081691), wk = 0.0036765 k( 68) = ( -0.1808321 0.3921324 0.8891151), wk = 0.0036765 k( 69) = ( -0.1888113 0.4094352 0.8700611), wk = 0.0036765 k( 70) = ( -0.1967905 0.4267380 0.8510071), wk = 0.0036765 k( 71) = ( -0.2047697 0.4440408 0.8319531), wk = 0.0036765 k( 72) = ( -0.2127489 0.4613436 0.8128991), wk = 0.0036765 k( 73) = ( -0.2207281 0.4786464 0.7938452), wk = 0.0036765 k( 74) = ( -0.2287073 0.4959491 0.7747912), wk = 0.0036765 k( 75) = ( -0.2366865 0.5132519 0.7557372), wk = 0.0036765 k( 76) = ( -0.2446657 0.5305548 0.7366832), wk = 0.0036765 k( 77) = ( -0.2526449 0.5478575 0.7176292), wk = 0.0036765 k( 78) = ( -0.2606241 0.5651603 0.6985752), wk = 0.0036765 k( 79) = ( -0.2686033 0.5824631 0.6795213), wk = 0.0036765 k( 80) = ( -0.2765825 0.5997659 0.6604673), wk = 0.0036765 k( 81) = ( -0.2765825 0.5997659 0.6604673), wk = 0.0036765 k( 82) = ( -0.2684477 0.5821257 0.6410418), wk = 0.0036765 k( 83) = ( -0.2603129 0.5644856 0.6216163), wk = 0.0036765 k( 84) = ( -0.2521782 0.5468454 0.6021908), wk = 0.0036765 k( 85) = ( -0.2440434 0.5292052 0.5827652), wk = 0.0036765 k( 86) = ( -0.2359086 0.5115650 0.5633397), wk = 0.0036765 k( 87) = ( -0.2277738 0.4939249 0.5439142), wk = 0.0036765 k( 88) = ( -0.2196391 0.4762847 0.5244887), wk = 0.0036765 k( 89) = ( -0.2115043 0.4586445 0.5050632), wk = 0.0036765 k( 90) = ( -0.2033695 0.4410044 0.4856377), wk = 0.0036765 k( 91) = ( -0.1952347 0.4233642 0.4662122), wk = 0.0036765 k( 92) = ( -0.1870999 0.4057240 0.4467867), wk = 0.0036765 k( 93) = ( -0.1789651 0.3880838 0.4273612), wk = 0.0036765 k( 94) = ( -0.1708304 0.3704437 0.4079357), wk = 0.0036765 k( 95) = ( -0.1626956 0.3528035 0.3885102), wk = 0.0036765 k( 96) = ( -0.1545608 0.3351633 0.3690847), wk = 0.0036765 k( 97) = ( -0.1464260 0.3175231 0.3496592), wk = 0.0036765 k( 98) = ( -0.1382913 0.2998830 0.3302336), wk = 0.0036765 k( 99) = ( -0.1301565 0.2822428 0.3108081), wk = 0.0036765 k( 100) = ( -0.1220217 0.2646026 0.2913826), wk = 0.0036765 k( 101) = ( -0.1138869 0.2469624 0.2719571), wk = 0.0036765 k( 102) = ( -0.1057521 0.2293223 0.2525316), wk = 0.0036765 k( 103) = ( -0.0976174 0.2116821 0.2331061), wk = 0.0036765 k( 104) = ( -0.0894826 0.1940419 0.2136806), wk = 0.0036765 k( 105) = ( -0.0813478 0.1764017 0.1942551), wk = 0.0036765 k( 106) = ( -0.0732130 0.1587616 0.1748296), wk = 0.0036765 k( 107) = ( -0.0650782 0.1411214 0.1554041), wk = 0.0036765 k( 108) = ( -0.0569435 0.1234812 0.1359786), wk = 0.0036765 k( 109) = ( -0.0488087 0.1058411 0.1165531), wk = 0.0036765 k( 110) = ( -0.0406739 0.0882009 0.0971275), wk = 0.0036765 k( 111) = ( -0.0325391 0.0705607 0.0777020), wk = 0.0036765 k( 112) = ( -0.0244043 0.0529205 0.0582765), wk = 0.0036765 k( 113) = ( -0.0162696 0.0352804 0.0388510), wk = 0.0036765 k( 114) = ( -0.0081348 0.0176402 0.0194255), wk = 0.0036765 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 117) = ( 0.0250000 0.0115288 -0.0000000), wk = 0.0036765 k( 118) = ( 0.0500000 0.0230575 -0.0000000), wk = 0.0036765 k( 119) = ( 0.0750000 0.0345863 -0.0000000), wk = 0.0036765 k( 120) = ( 0.1000000 0.0461151 -0.0000000), wk = 0.0036765 k( 121) = ( 0.1250000 0.0576438 -0.0000000), wk = 0.0036765 k( 122) = ( 0.1500000 0.0691726 -0.0000000), wk = 0.0036765 k( 123) = ( 0.1750000 0.0807014 -0.0000000), wk = 0.0036765 k( 124) = ( 0.2000000 0.0922301 -0.0000000), wk = 0.0036765 k( 125) = ( 0.2250000 0.1037589 -0.0000000), wk = 0.0036765 k( 126) = ( 0.2500000 0.1152877 -0.0000000), wk = 0.0036765 k( 127) = ( 0.2750000 0.1268165 -0.0000000), wk = 0.0036765 k( 128) = ( 0.3000000 0.1383452 -0.0000000), wk = 0.0036765 k( 129) = ( 0.3250000 0.1498740 -0.0000000), wk = 0.0036765 k( 130) = ( 0.3500000 0.1614028 -0.0000000), wk = 0.0036765 k( 131) = ( 0.3750000 0.1729315 -0.0000000), wk = 0.0036765 k( 132) = ( 0.4000000 0.1844603 -0.0000000), wk = 0.0036765 k( 133) = ( 0.4250000 0.1959891 -0.0000000), wk = 0.0036765 k( 134) = ( 0.4500000 0.2075178 -0.0000000), wk = 0.0036765 k( 135) = ( 0.4750000 0.2190466 -0.0000000), wk = 0.0036765 k( 136) = ( 0.5000000 0.2305754 -0.0000000), wk = 0.0036765 k( 137) = ( 0.5000000 0.2305754 -0.0000000), wk = 0.0036765 k( 138) = ( 0.4920208 0.2478782 0.0190540), wk = 0.0036765 k( 139) = ( 0.4840416 0.2651810 0.0381080), wk = 0.0036765 k( 140) = ( 0.4760624 0.2824838 0.0571619), wk = 0.0036765 k( 141) = ( 0.4680832 0.2997866 0.0762159), wk = 0.0036765 k( 142) = ( 0.4601040 0.3170893 0.0952699), wk = 0.0036765 k( 143) = ( 0.4521248 0.3343921 0.1143239), wk = 0.0036765 k( 144) = ( 0.4441456 0.3516949 0.1333779), wk = 0.0036765 k( 145) = ( 0.4361664 0.3689977 0.1524319), wk = 0.0036765 k( 146) = ( 0.4281872 0.3863005 0.1714858), wk = 0.0036765 k( 147) = ( 0.4202080 0.4036033 0.1905398), wk = 0.0036765 k( 148) = ( 0.4122288 0.4209061 0.2095938), wk = 0.0036765 k( 149) = ( 0.4042496 0.4382089 0.2286478), wk = 0.0036765 k( 150) = ( 0.3962704 0.4555117 0.2477018), wk = 0.0036765 k( 151) = ( 0.3882912 0.4728145 0.2667558), wk = 0.0036765 k( 152) = ( 0.3803121 0.4901173 0.2858097), wk = 0.0036765 k( 153) = ( 0.3723329 0.5074201 0.3048637), wk = 0.0036765 k( 154) = ( 0.3643537 0.5247229 0.3239177), wk = 0.0036765 k( 155) = ( 0.3563745 0.5420257 0.3429717), wk = 0.0036765 k( 156) = ( 0.3483953 0.5593285 0.3620257), wk = 0.0036765 k( 157) = ( 0.3404161 0.5766313 0.3810797), wk = 0.0036765 k( 158) = ( 0.3324369 0.5939340 0.4001336), wk = 0.0036765 k( 159) = ( 0.3244577 0.6112368 0.4191876), wk = 0.0036765 k( 160) = ( 0.3164785 0.6285396 0.4382416), wk = 0.0036765 k( 161) = ( 0.3084993 0.6458424 0.4572956), wk = 0.0036765 k( 162) = ( 0.3005201 0.6631452 0.4763496), wk = 0.0036765 k( 163) = ( 0.2925409 0.6804480 0.4954036), wk = 0.0036765 k( 164) = ( 0.2845617 0.6977508 0.5144575), wk = 0.0036765 k( 165) = ( 0.2765825 0.7150536 0.5335115), wk = 0.0036765 k( 166) = ( 0.2765825 0.7150536 0.5335115), wk = 0.0036765 k( 167) = ( 0.2514386 0.7098133 0.5392822), wk = 0.0036765 k( 168) = ( 0.2262948 0.7045729 0.5450530), wk = 0.0036765 k( 169) = ( 0.2011509 0.6993326 0.5508237), wk = 0.0036765 k( 170) = ( 0.1760070 0.6940922 0.5565944), wk = 0.0036765 k( 171) = ( 0.1508632 0.6888519 0.5623651), wk = 0.0036765 k( 172) = ( 0.1257193 0.6836115 0.5681358), wk = 0.0036765 k( 173) = ( 0.1005755 0.6783712 0.5739065), wk = 0.0036765 k( 174) = ( 0.0754316 0.6731308 0.5796773), wk = 0.0036765 k( 175) = ( 0.0502877 0.6678905 0.5854480), wk = 0.0036765 k( 176) = ( 0.0251439 0.6626501 0.5912187), wk = 0.0036765 k( 177) = ( 0.0000000 0.6574098 0.5969894), wk = 0.0036765 k( 178) = ( 0.0000000 0.6574098 0.5969894), wk = 0.0036765 k( 179) = ( 0.0080645 0.6399219 0.6162471), wk = 0.0036765 k( 180) = ( 0.0161290 0.6224341 0.6355048), wk = 0.0036765 k( 181) = ( 0.0241936 0.6049463 0.6547626), wk = 0.0036765 k( 182) = ( 0.0322581 0.5874585 0.6740203), wk = 0.0036765 k( 183) = ( 0.0403226 0.5699707 0.6932780), wk = 0.0036765 k( 184) = ( 0.0483871 0.5524829 0.7125357), wk = 0.0036765 k( 185) = ( 0.0564516 0.5349951 0.7317935), wk = 0.0036765 k( 186) = ( 0.0645161 0.5175073 0.7510512), wk = 0.0036765 k( 187) = ( 0.0725806 0.5000195 0.7703089), wk = 0.0036765 k( 188) = ( 0.0806452 0.4825317 0.7895666), wk = 0.0036765 k( 189) = ( 0.0887097 0.4650439 0.8088244), wk = 0.0036765 k( 190) = ( 0.0967742 0.4475561 0.8280821), wk = 0.0036765 k( 191) = ( 0.1048387 0.4300682 0.8473398), wk = 0.0036765 k( 192) = ( 0.1129032 0.4125804 0.8665975), wk = 0.0036765 k( 193) = ( 0.1209677 0.3950926 0.8858552), wk = 0.0036765 k( 194) = ( 0.1290323 0.3776048 0.9051130), wk = 0.0036765 k( 195) = ( 0.1370968 0.3601170 0.9243707), wk = 0.0036765 k( 196) = ( 0.1451613 0.3426292 0.9436284), wk = 0.0036765 k( 197) = ( 0.1532258 0.3251414 0.9628861), wk = 0.0036765 k( 198) = ( 0.1612903 0.3076536 0.9821438), wk = 0.0036765 k( 199) = ( 0.1693548 0.2901658 1.0014016), wk = 0.0036765 k( 200) = ( 0.1774194 0.2726780 1.0206593), wk = 0.0036765 k( 201) = ( 0.1854839 0.2551902 1.0399170), wk = 0.0036765 k( 202) = ( 0.1935484 0.2377023 1.0591747), wk = 0.0036765 k( 203) = ( 0.2016129 0.2202145 1.0784325), wk = 0.0036765 k( 204) = ( 0.2096774 0.2027267 1.0976902), wk = 0.0036765 k( 205) = ( 0.2177419 0.1852389 1.1169479), wk = 0.0036765 k( 206) = ( 0.2258064 0.1677511 1.1362056), wk = 0.0036765 k( 207) = ( 0.2338710 0.1502633 1.1554634), wk = 0.0036765 k( 208) = ( 0.2419355 0.1327755 1.1747211), wk = 0.0036765 k( 209) = ( 0.2500000 0.1152877 1.1939788), wk = 0.0036765 k( 210) = ( 0.2500000 0.1152877 1.1939788), wk = 0.0036765 k( 211) = ( 0.2727273 0.1257684 1.1824374), wk = 0.0036765 k( 212) = ( 0.2954545 0.1362491 1.1708959), wk = 0.0036765 k( 213) = ( 0.3181818 0.1467298 1.1593545), wk = 0.0036765 k( 214) = ( 0.3409091 0.1572105 1.1478131), wk = 0.0036765 k( 215) = ( 0.3636364 0.1676912 1.1362716), wk = 0.0036765 k( 216) = ( 0.3863636 0.1781719 1.1247302), wk = 0.0036765 k( 217) = ( 0.4090909 0.1886526 1.1131888), wk = 0.0036765 k( 218) = ( 0.4318182 0.1991333 1.1016473), wk = 0.0036765 k( 219) = ( 0.4545455 0.2096140 1.0901059), wk = 0.0036765 k( 220) = ( 0.4772727 0.2200947 1.0785645), wk = 0.0036765 k( 221) = ( 0.5000000 0.2305754 1.0670230), wk = 0.0036765 k( 222) = ( 0.5000000 0.2305754 1.0670230), wk = 0.0036765 k( 223) = ( 0.5000000 0.2305754 1.0396635), wk = 0.0036765 k( 224) = ( 0.5000000 0.2305754 1.0123039), wk = 0.0036765 k( 225) = ( 0.5000000 0.2305754 0.9849443), wk = 0.0036765 k( 226) = ( 0.5000000 0.2305754 0.9575848), wk = 0.0036765 k( 227) = ( 0.5000000 0.2305754 0.9302252), wk = 0.0036765 k( 228) = ( 0.5000000 0.2305754 0.9028656), wk = 0.0036765 k( 229) = ( 0.5000000 0.2305754 0.8755061), wk = 0.0036765 k( 230) = ( 0.5000000 0.2305754 0.8481465), wk = 0.0036765 k( 231) = ( 0.5000000 0.2305754 0.8207869), wk = 0.0036765 k( 232) = ( 0.5000000 0.2305754 0.7934274), wk = 0.0036765 k( 233) = ( 0.5000000 0.2305754 0.7660678), wk = 0.0036765 k( 234) = ( 0.5000000 0.2305754 0.7387083), wk = 0.0036765 k( 235) = ( 0.5000000 0.2305754 0.7113487), wk = 0.0036765 k( 236) = ( 0.5000000 0.2305754 0.6839891), wk = 0.0036765 k( 237) = ( 0.5000000 0.2305754 0.6566295), wk = 0.0036765 k( 238) = ( 0.5000000 0.2305754 0.6292700), wk = 0.0036765 k( 239) = ( 0.5000000 0.2305754 0.6019104), wk = 0.0036765 k( 240) = ( 0.5000000 0.2305754 0.5745509), wk = 0.0036765 k( 241) = ( 0.5000000 0.2305754 0.5471913), wk = 0.0036765 k( 242) = ( 0.5000000 0.2305754 0.5198317), wk = 0.0036765 k( 243) = ( 0.5000000 0.2305754 0.4924722), wk = 0.0036765 k( 244) = ( 0.5000000 0.2305754 0.4651126), wk = 0.0036765 k( 245) = ( 0.5000000 0.2305754 0.4377530), wk = 0.0036765 k( 246) = ( 0.5000000 0.2305754 0.4103935), wk = 0.0036765 k( 247) = ( 0.5000000 0.2305754 0.3830339), wk = 0.0036765 k( 248) = ( 0.5000000 0.2305754 0.3556743), wk = 0.0036765 k( 249) = ( 0.5000000 0.2305754 0.3283148), wk = 0.0036765 k( 250) = ( 0.5000000 0.2305754 0.3009552), wk = 0.0036765 k( 251) = ( 0.5000000 0.2305754 0.2735957), wk = 0.0036765 k( 252) = ( 0.5000000 0.2305754 0.2462361), wk = 0.0036765 k( 253) = ( 0.5000000 0.2305754 0.2188765), wk = 0.0036765 k( 254) = ( 0.5000000 0.2305754 0.1915169), wk = 0.0036765 k( 255) = ( 0.5000000 0.2305754 0.1641574), wk = 0.0036765 k( 256) = ( 0.5000000 0.2305754 0.1367978), wk = 0.0036765 k( 257) = ( 0.5000000 0.2305754 0.1094383), wk = 0.0036765 k( 258) = ( 0.5000000 0.2305754 0.0820787), wk = 0.0036765 k( 259) = ( 0.5000000 0.2305754 0.0547191), wk = 0.0036765 k( 260) = ( 0.5000000 0.2305754 0.0273596), wk = 0.0036765 k( 261) = ( 0.5000000 0.2305754 -0.0000000), wk = 0.0036765 k( 262) = ( 0.0000000 0.0000000 1.1939788), wk = 0.0036765 k( 263) = ( 0.0250000 0.0115288 1.1939788), wk = 0.0036765 k( 264) = ( 0.0500000 0.0230575 1.1939788), wk = 0.0036765 k( 265) = ( 0.0750000 0.0345863 1.1939788), wk = 0.0036765 k( 266) = ( 0.1000000 0.0461151 1.1939788), wk = 0.0036765 k( 267) = ( 0.1250000 0.0576438 1.1939788), wk = 0.0036765 k( 268) = ( 0.1500000 0.0691726 1.1939788), wk = 0.0036765 k( 269) = ( 0.1750000 0.0807014 1.1939788), wk = 0.0036765 k( 270) = ( 0.2000000 0.0922301 1.1939788), wk = 0.0036765 k( 271) = ( 0.2250000 0.1037589 1.1939788), wk = 0.0036765 k( 272) = ( 0.2500000 0.1152877 1.1939788), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0036765 k( 42) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0036765 k( 43) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0036765 k( 44) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0036765 k( 45) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 47) = ( -0.0106330 0.0106330 0.5000000), wk = 0.0036765 k( 48) = ( -0.0212660 0.0212660 0.5000000), wk = 0.0036765 k( 49) = ( -0.0318990 0.0318990 0.5000000), wk = 0.0036765 k( 50) = ( -0.0425320 0.0425320 0.5000000), wk = 0.0036765 k( 51) = ( -0.0531650 0.0531650 0.5000000), wk = 0.0036765 k( 52) = ( -0.0531650 0.0531650 0.5000000), wk = 0.0036765 k( 53) = ( -0.0611442 0.0611442 0.4920208), wk = 0.0036765 k( 54) = ( -0.0691234 0.0691234 0.4840416), wk = 0.0036765 k( 55) = ( -0.0771026 0.0771026 0.4760624), wk = 0.0036765 k( 56) = ( -0.0850818 0.0850818 0.4680832), wk = 0.0036765 k( 57) = ( -0.0930610 0.0930610 0.4601040), wk = 0.0036765 k( 58) = ( -0.1010402 0.1010402 0.4521248), wk = 0.0036765 k( 59) = ( -0.1090194 0.1090194 0.4441456), wk = 0.0036765 k( 60) = ( -0.1169986 0.1169986 0.4361664), wk = 0.0036765 k( 61) = ( -0.1249778 0.1249778 0.4281872), wk = 0.0036765 k( 62) = ( -0.1329570 0.1329570 0.4202080), wk = 0.0036765 k( 63) = ( -0.1409362 0.1409362 0.4122288), wk = 0.0036765 k( 64) = ( -0.1489154 0.1489154 0.4042496), wk = 0.0036765 k( 65) = ( -0.1568946 0.1568946 0.3962705), wk = 0.0036765 k( 66) = ( -0.1648738 0.1648738 0.3882912), wk = 0.0036765 k( 67) = ( -0.1728530 0.1728530 0.3803121), wk = 0.0036765 k( 68) = ( -0.1808321 0.1808321 0.3723329), wk = 0.0036765 k( 69) = ( -0.1888113 0.1888113 0.3643537), wk = 0.0036765 k( 70) = ( -0.1967905 0.1967905 0.3563745), wk = 0.0036765 k( 71) = ( -0.2047697 0.2047697 0.3483953), wk = 0.0036765 k( 72) = ( -0.2127489 0.2127489 0.3404161), wk = 0.0036765 k( 73) = ( -0.2207281 0.2207281 0.3324369), wk = 0.0036765 k( 74) = ( -0.2287073 0.2287073 0.3244577), wk = 0.0036765 k( 75) = ( -0.2366865 0.2366865 0.3164785), wk = 0.0036765 k( 76) = ( -0.2446657 0.2446657 0.3084993), wk = 0.0036765 k( 77) = ( -0.2526449 0.2526449 0.3005201), wk = 0.0036765 k( 78) = ( -0.2606241 0.2606241 0.2925409), wk = 0.0036765 k( 79) = ( -0.2686033 0.2686033 0.2845617), wk = 0.0036765 k( 80) = ( -0.2765825 0.2765825 0.2765825), wk = 0.0036765 k( 81) = ( -0.2765825 0.2765825 0.2765825), wk = 0.0036765 k( 82) = ( -0.2684477 0.2684477 0.2684477), wk = 0.0036765 k( 83) = ( -0.2603129 0.2603129 0.2603129), wk = 0.0036765 k( 84) = ( -0.2521782 0.2521782 0.2521782), wk = 0.0036765 k( 85) = ( -0.2440434 0.2440434 0.2440434), wk = 0.0036765 k( 86) = ( -0.2359086 0.2359086 0.2359086), wk = 0.0036765 k( 87) = ( -0.2277738 0.2277738 0.2277738), wk = 0.0036765 k( 88) = ( -0.2196391 0.2196391 0.2196391), wk = 0.0036765 k( 89) = ( -0.2115043 0.2115043 0.2115043), wk = 0.0036765 k( 90) = ( -0.2033695 0.2033695 0.2033695), wk = 0.0036765 k( 91) = ( -0.1952347 0.1952347 0.1952347), wk = 0.0036765 k( 92) = ( -0.1870999 0.1870999 0.1870999), wk = 0.0036765 k( 93) = ( -0.1789651 0.1789652 0.1789652), wk = 0.0036765 k( 94) = ( -0.1708304 0.1708304 0.1708304), wk = 0.0036765 k( 95) = ( -0.1626956 0.1626956 0.1626956), wk = 0.0036765 k( 96) = ( -0.1545608 0.1545608 0.1545608), wk = 0.0036765 k( 97) = ( -0.1464260 0.1464260 0.1464260), wk = 0.0036765 k( 98) = ( -0.1382913 0.1382913 0.1382913), wk = 0.0036765 k( 99) = ( -0.1301565 0.1301565 0.1301565), wk = 0.0036765 k( 100) = ( -0.1220217 0.1220217 0.1220217), wk = 0.0036765 k( 101) = ( -0.1138869 0.1138869 0.1138869), wk = 0.0036765 k( 102) = ( -0.1057521 0.1057521 0.1057521), wk = 0.0036765 k( 103) = ( -0.0976174 0.0976174 0.0976174), wk = 0.0036765 k( 104) = ( -0.0894826 0.0894826 0.0894826), wk = 0.0036765 k( 105) = ( -0.0813478 0.0813478 0.0813478), wk = 0.0036765 k( 106) = ( -0.0732130 0.0732130 0.0732130), wk = 0.0036765 k( 107) = ( -0.0650782 0.0650782 0.0650782), wk = 0.0036765 k( 108) = ( -0.0569435 0.0569435 0.0569435), wk = 0.0036765 k( 109) = ( -0.0488087 0.0488087 0.0488087), wk = 0.0036765 k( 110) = ( -0.0406739 0.0406739 0.0406739), wk = 0.0036765 k( 111) = ( -0.0325391 0.0325391 0.0325391), wk = 0.0036765 k( 112) = ( -0.0244043 0.0244043 0.0244043), wk = 0.0036765 k( 113) = ( -0.0162696 0.0162696 0.0162696), wk = 0.0036765 k( 114) = ( -0.0081348 0.0081348 0.0081348), wk = 0.0036765 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 117) = ( 0.0250000 0.0250000 -0.0250000), wk = 0.0036765 k( 118) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036765 k( 119) = ( 0.0750000 0.0750000 -0.0750000), wk = 0.0036765 k( 120) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036765 k( 121) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0036765 k( 122) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036765 k( 123) = ( 0.1750000 0.1750000 -0.1750000), wk = 0.0036765 k( 124) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036765 k( 125) = ( 0.2250000 0.2250000 -0.2250000), wk = 0.0036765 k( 126) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036765 k( 127) = ( 0.2750000 0.2750000 -0.2750000), wk = 0.0036765 k( 128) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036765 k( 129) = ( 0.3250000 0.3250000 -0.3250000), wk = 0.0036765 k( 130) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036765 k( 131) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0036765 k( 132) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036765 k( 133) = ( 0.4250000 0.4250000 -0.4250000), wk = 0.0036765 k( 134) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036765 k( 135) = ( 0.4750000 0.4750000 -0.4750000), wk = 0.0036765 k( 136) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 137) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 138) = ( 0.4920208 0.5079792 -0.4920208), wk = 0.0036765 k( 139) = ( 0.4840416 0.5159584 -0.4840416), wk = 0.0036765 k( 140) = ( 0.4760624 0.5239376 -0.4760624), wk = 0.0036765 k( 141) = ( 0.4680832 0.5319168 -0.4680832), wk = 0.0036765 k( 142) = ( 0.4601040 0.5398960 -0.4601040), wk = 0.0036765 k( 143) = ( 0.4521248 0.5478752 -0.4521248), wk = 0.0036765 k( 144) = ( 0.4441456 0.5558544 -0.4441456), wk = 0.0036765 k( 145) = ( 0.4361664 0.5638336 -0.4361664), wk = 0.0036765 k( 146) = ( 0.4281872 0.5718128 -0.4281872), wk = 0.0036765 k( 147) = ( 0.4202080 0.5797920 -0.4202080), wk = 0.0036765 k( 148) = ( 0.4122288 0.5877712 -0.4122288), wk = 0.0036765 k( 149) = ( 0.4042496 0.5957504 -0.4042496), wk = 0.0036765 k( 150) = ( 0.3962704 0.6037295 -0.3962704), wk = 0.0036765 k( 151) = ( 0.3882912 0.6117088 -0.3882913), wk = 0.0036765 k( 152) = ( 0.3803121 0.6196880 -0.3803121), wk = 0.0036765 k( 153) = ( 0.3723329 0.6276671 -0.3723329), wk = 0.0036765 k( 154) = ( 0.3643537 0.6356463 -0.3643537), wk = 0.0036765 k( 155) = ( 0.3563745 0.6436255 -0.3563745), wk = 0.0036765 k( 156) = ( 0.3483953 0.6516047 -0.3483953), wk = 0.0036765 k( 157) = ( 0.3404161 0.6595839 -0.3404161), wk = 0.0036765 k( 158) = ( 0.3324369 0.6675631 -0.3324369), wk = 0.0036765 k( 159) = ( 0.3244577 0.6755423 -0.3244577), wk = 0.0036765 k( 160) = ( 0.3164785 0.6835215 -0.3164785), wk = 0.0036765 k( 161) = ( 0.3084993 0.6915007 -0.3084993), wk = 0.0036765 k( 162) = ( 0.3005201 0.6994799 -0.3005201), wk = 0.0036765 k( 163) = ( 0.2925409 0.7074591 -0.2925409), wk = 0.0036765 k( 164) = ( 0.2845617 0.7154383 -0.2845617), wk = 0.0036765 k( 165) = ( 0.2765825 0.7234175 -0.2765825), wk = 0.0036765 k( 166) = ( 0.2765825 0.7234175 -0.2765825), wk = 0.0036765 k( 167) = ( 0.2514386 0.7031068 -0.2514386), wk = 0.0036765 k( 168) = ( 0.2262948 0.6827961 -0.2262948), wk = 0.0036765 k( 169) = ( 0.2011509 0.6624855 -0.2011509), wk = 0.0036765 k( 170) = ( 0.1760070 0.6421748 -0.1760071), wk = 0.0036765 k( 171) = ( 0.1508632 0.6218641 -0.1508632), wk = 0.0036765 k( 172) = ( 0.1257193 0.6015534 -0.1257193), wk = 0.0036765 k( 173) = ( 0.1005755 0.5812427 -0.1005755), wk = 0.0036765 k( 174) = ( 0.0754316 0.5609321 -0.0754316), wk = 0.0036765 k( 175) = ( 0.0502877 0.5406214 -0.0502877), wk = 0.0036765 k( 176) = ( 0.0251439 0.5203107 -0.0251439), wk = 0.0036765 k( 177) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 178) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 179) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0036765 k( 180) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0036765 k( 181) = ( 0.0241936 0.4758064 0.0241936), wk = 0.0036765 k( 182) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0036765 k( 183) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0036765 k( 184) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0036765 k( 185) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0036765 k( 186) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0036765 k( 187) = ( 0.0725806 0.4274194 0.0725806), wk = 0.0036765 k( 188) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0036765 k( 189) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0036765 k( 190) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0036765 k( 191) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0036765 k( 192) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0036765 k( 193) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0036765 k( 194) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0036765 k( 195) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0036765 k( 196) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0036765 k( 197) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0036765 k( 198) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0036765 k( 199) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0036765 k( 200) = ( 0.1774194 0.3225807 0.1774194), wk = 0.0036765 k( 201) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0036765 k( 202) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0036765 k( 203) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0036765 k( 204) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0036765 k( 205) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0036765 k( 206) = ( 0.2258064 0.2741936 0.2258065), wk = 0.0036765 k( 207) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0036765 k( 208) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0036765 k( 209) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 211) = ( 0.2727273 0.2727273 0.2224396), wk = 0.0036765 k( 212) = ( 0.2954545 0.2954546 0.1948791), wk = 0.0036765 k( 213) = ( 0.3181818 0.3181818 0.1673186), wk = 0.0036765 k( 214) = ( 0.3409091 0.3409091 0.1397582), wk = 0.0036765 k( 215) = ( 0.3636364 0.3636364 0.1121977), wk = 0.0036765 k( 216) = ( 0.3863636 0.3863636 0.0846373), wk = 0.0036765 k( 217) = ( 0.4090909 0.4090909 0.0570768), wk = 0.0036765 k( 218) = ( 0.4318182 0.4318182 0.0295164), wk = 0.0036765 k( 219) = ( 0.4545455 0.4545455 0.0019559), wk = 0.0036765 k( 220) = ( 0.4772727 0.4772727 -0.0256045), wk = 0.0036765 k( 221) = ( 0.5000000 0.5000000 -0.0531650), wk = 0.0036765 k( 222) = ( 0.5000000 0.5000000 -0.0531650), wk = 0.0036765 k( 223) = ( 0.5000000 0.5000000 -0.0646223), wk = 0.0036765 k( 224) = ( 0.5000000 0.5000000 -0.0760796), wk = 0.0036765 k( 225) = ( 0.5000000 0.5000000 -0.0875369), wk = 0.0036765 k( 226) = ( 0.5000000 0.5000000 -0.0989942), wk = 0.0036765 k( 227) = ( 0.5000000 0.5000000 -0.1104515), wk = 0.0036765 k( 228) = ( 0.5000000 0.5000000 -0.1219089), wk = 0.0036765 k( 229) = ( 0.5000000 0.5000000 -0.1333662), wk = 0.0036765 k( 230) = ( 0.5000000 0.5000000 -0.1448235), wk = 0.0036765 k( 231) = ( 0.5000000 0.5000000 -0.1562808), wk = 0.0036765 k( 232) = ( 0.5000000 0.5000000 -0.1677381), wk = 0.0036765 k( 233) = ( 0.5000000 0.5000000 -0.1791954), wk = 0.0036765 k( 234) = ( 0.5000000 0.5000000 -0.1906527), wk = 0.0036765 k( 235) = ( 0.5000000 0.5000000 -0.2021100), wk = 0.0036765 k( 236) = ( 0.5000000 0.5000000 -0.2135673), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 -0.2250246), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 -0.2364819), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 -0.2479392), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 -0.2593965), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 -0.2708539), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 -0.2823112), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 -0.2937685), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 -0.3052258), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 -0.3166831), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 -0.3281404), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 -0.3395977), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 -0.3510550), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 -0.3625123), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 -0.3739696), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 -0.3854269), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 -0.3968842), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 -0.4083415), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 -0.4197989), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 -0.4312562), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 -0.4427135), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 -0.4541708), wk = 0.0036765 k( 258) = ( 0.5000000 0.5000000 -0.4656281), wk = 0.0036765 k( 259) = ( 0.5000000 0.5000000 -0.4770854), wk = 0.0036765 k( 260) = ( 0.5000000 0.5000000 -0.4885427), wk = 0.0036765 k( 261) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 262) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 263) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0036765 k( 264) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036765 k( 265) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0036765 k( 266) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036765 k( 267) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036765 k( 268) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036765 k( 269) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0036765 k( 270) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036765 k( 271) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0036765 k( 272) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 Dense grid: 136037 G-vectors FFT dimensions: ( 96, 96, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.54 Mb ( 490, 72) NL pseudopotentials 0.89 Mb ( 245, 238) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.01 Mb ( 1889) G-vector shells 0.01 Mb ( 914) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.15 Mb ( 490, 288) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.52 Mb ( 238, 2, 72) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Rb2CrCl4.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 8.2 secs Computing kpt #: 3 total cpu time spent up to now is 10.8 secs Computing kpt #: 4 total cpu time spent up to now is 13.3 secs Computing kpt #: 5 total cpu time spent up to now is 15.9 secs Computing kpt #: 6 total cpu time spent up to now is 18.5 secs Computing kpt #: 7 total cpu time spent up to now is 21.1 secs Computing kpt #: 8 total cpu time spent up to now is 23.8 secs Computing kpt #: 9 total cpu time spent up to now is 26.4 secs Computing kpt #: 10 total cpu time spent up to now is 28.9 secs Computing kpt #: 11 total cpu time spent up to now is 31.5 secs Computing kpt #: 12 total cpu time spent up to now is 35.3 secs Computing kpt #: 13 total cpu time spent up to now is 37.8 secs Computing kpt #: 14 total cpu time spent up to now is 40.0 secs Computing kpt #: 15 total cpu time spent up to now is 42.0 secs Computing kpt #: 16 total cpu time spent up to now is 44.1 secs Computing kpt #: 17 total cpu time spent up to now is 46.1 secs Computing kpt #: 18 total cpu time spent up to now is 48.2 secs Computing kpt #: 19 total cpu time spent up to now is 50.2 secs Computing kpt #: 20 total cpu time spent up to now is 52.3 secs Computing kpt #: 21 total cpu time spent up to now is 54.3 secs Computing kpt #: 22 total cpu time spent up to now is 56.3 secs Computing kpt #: 23 total cpu time spent up to now is 58.3 secs Computing kpt #: 24 total cpu time spent up to now is 60.4 secs Computing kpt #: 25 total cpu time spent up to now is 62.4 secs Computing kpt #: 26 total cpu time spent up to now is 64.4 secs Computing kpt #: 27 total cpu time spent up to now is 66.6 secs Computing kpt #: 28 total cpu time spent up to now is 68.6 secs Computing kpt #: 29 total cpu time spent up to now is 70.6 secs Computing kpt #: 30 total cpu time spent up to now is 72.6 secs Computing kpt #: 31 total cpu time spent up to now is 74.6 secs Computing kpt #: 32 total cpu time spent up to now is 76.5 secs Computing kpt #: 33 total cpu time spent up to now is 78.5 secs Computing kpt #: 34 total cpu time spent up to now is 80.5 secs Computing kpt #: 35 total cpu time spent up to now is 82.5 secs Computing kpt #: 36 total cpu time spent up to now is 84.5 secs Computing kpt #: 37 total cpu time spent up to now is 86.5 secs Computing kpt #: 38 total cpu time spent up to now is 88.5 secs Computing kpt #: 39 total cpu time spent up to now is 90.5 secs Computing kpt #: 40 total cpu time spent up to now is 92.5 secs Computing kpt #: 41 total cpu time spent up to now is 94.6 secs Computing kpt #: 42 total cpu time spent up to now is 96.6 secs Computing kpt #: 43 total cpu time spent up to now is 98.6 secs Computing kpt #: 44 total cpu time spent up to now is 100.7 secs Computing kpt #: 45 total cpu time spent up to now is 102.8 secs Computing kpt #: 46 total cpu time spent up to now is 104.9 secs Computing kpt #: 47 total cpu time spent up to now is 106.9 secs Computing kpt #: 48 total cpu time spent up to now is 109.0 secs Computing kpt #: 49 total cpu time spent up to now is 111.0 secs Computing kpt #: 50 total cpu time spent up to now is 113.2 secs Computing kpt #: 51 total cpu time spent up to now is 115.2 secs Computing kpt #: 52 total cpu time spent up to now is 117.2 secs Computing kpt #: 53 total cpu time spent up to now is 119.2 secs Computing kpt #: 54 total cpu time spent up to now is 121.3 secs Computing kpt #: 55 total cpu time spent up to now is 123.3 secs Computing kpt #: 56 total cpu time spent up to now is 125.3 secs Computing kpt #: 57 total cpu time spent up to now is 127.3 secs Computing kpt #: 58 total cpu time spent up to now is 129.3 secs Computing kpt #: 59 total cpu time spent up to now is 131.3 secs Computing kpt #: 60 total cpu time spent up to now is 133.4 secs Computing kpt #: 61 total cpu time spent up to now is 135.5 secs Computing kpt #: 62 total cpu time spent up to now is 137.5 secs Computing kpt #: 63 total cpu time spent up to now is 139.6 secs Computing kpt #: 64 total cpu time spent up to now is 141.7 secs Computing kpt #: 65 total cpu time spent up to now is 143.7 secs Computing kpt #: 66 total cpu time spent up to now is 145.8 secs Computing kpt #: 67 total cpu time spent up to now is 147.9 secs Computing kpt #: 68 total cpu time spent up to now is 150.5 secs Computing kpt #: 69 total cpu time spent up to now is 153.0 secs Computing kpt #: 70 total cpu time spent up to now is 155.5 secs Computing kpt #: 71 total cpu time spent up to now is 158.0 secs Computing kpt #: 72 total cpu time spent up to now is 160.5 secs Computing kpt #: 73 total cpu time spent up to now is 163.0 secs Computing kpt #: 74 total cpu time spent up to now is 165.6 secs Computing kpt #: 75 total cpu time spent up to now is 168.1 secs Computing kpt #: 76 total cpu time spent up to now is 170.6 secs Computing kpt #: 77 total cpu time spent up to now is 173.2 secs Computing kpt #: 78 total cpu time spent up to now is 175.7 secs Computing kpt #: 79 total cpu time spent up to now is 178.2 secs Computing kpt #: 80 total cpu time spent up to now is 181.1 secs Computing kpt #: 81 total cpu time spent up to now is 183.7 secs Computing kpt #: 82 total cpu time spent up to now is 186.3 secs Computing kpt #: 83 total cpu time spent up to now is 188.9 secs Computing kpt #: 84 total cpu time spent up to now is 191.5 secs Computing kpt #: 85 total cpu time spent up to now is 194.1 secs Computing kpt #: 86 total cpu time spent up to now is 196.8 secs Computing kpt #: 87 total cpu time spent up to now is 199.4 secs Computing kpt #: 88 total cpu time spent up to now is 202.0 secs Computing kpt #: 89 total cpu time spent up to now is 204.6 secs Computing kpt #: 90 total cpu time spent up to now is 207.2 secs Computing kpt #: 91 total cpu time spent up to now is 209.7 secs Computing kpt #: 92 total cpu time spent up to now is 212.2 secs Computing kpt #: 93 total cpu time spent up to now is 214.7 secs Computing kpt #: 94 total cpu time spent up to now is 217.2 secs Computing kpt #: 95 total cpu time spent up to now is 219.7 secs Computing kpt #: 96 total cpu time spent up to now is 222.2 secs Computing kpt #: 97 total cpu time spent up to now is 224.7 secs Computing kpt #: 98 total cpu time spent up to now is 227.3 secs Computing kpt #: 99 total cpu time spent up to now is 229.8 secs Computing kpt #: 100 total cpu time spent up to now is 232.3 secs Computing kpt #: 101 total cpu time spent up to now is 234.8 secs Computing kpt #: 102 total cpu time spent up to now is 237.3 secs Computing kpt #: 103 total cpu time spent up to now is 239.9 secs Computing kpt #: 104 total cpu time spent up to now is 242.5 secs Computing kpt #: 105 total cpu time spent up to now is 245.1 secs Computing kpt #: 106 total cpu time spent up to now is 247.7 secs Computing kpt #: 107 total cpu time spent up to now is 250.3 secs Computing kpt #: 108 total cpu time spent up to now is 252.9 secs Computing kpt #: 109 total cpu time spent up to now is 255.5 secs Computing kpt #: 110 total cpu time spent up to now is 258.1 secs Computing kpt #: 111 total cpu time spent up to now is 260.8 secs Computing kpt #: 112 total cpu time spent up to now is 263.4 secs Computing kpt #: 113 total cpu time spent up to now is 266.0 secs Computing kpt #: 114 total cpu time spent up to now is 268.7 secs Computing kpt #: 115 total cpu time spent up to now is 271.2 secs Computing kpt #: 116 total cpu time spent up to now is 273.9 secs Computing kpt #: 117 total cpu time spent up to now is 276.5 secs Computing kpt #: 118 total cpu time spent up to now is 279.2 secs Computing kpt #: 119 total cpu time spent up to now is 281.9 secs Computing kpt #: 120 total cpu time spent up to now is 284.6 secs Computing kpt #: 121 total cpu time spent up to now is 287.3 secs Computing kpt #: 122 total cpu time spent up to now is 290.0 secs Computing kpt #: 123 total cpu time spent up to now is 292.7 secs Computing kpt #: 124 total cpu time spent up to now is 295.4 secs Computing kpt #: 125 total cpu time spent up to now is 298.1 secs Computing kpt #: 126 total cpu time spent up to now is 300.7 secs Computing kpt #: 127 total cpu time spent up to now is 303.3 secs Computing kpt #: 128 total cpu time spent up to now is 305.9 secs Computing kpt #: 129 total cpu time spent up to now is 308.5 secs Computing kpt #: 130 total cpu time spent up to now is 311.1 secs Computing kpt #: 131 total cpu time spent up to now is 313.7 secs Computing kpt #: 132 total cpu time spent up to now is 316.2 secs Computing kpt #: 133 total cpu time spent up to now is 318.8 secs Computing kpt #: 134 total cpu time spent up to now is 321.3 secs Computing kpt #: 135 total cpu time spent up to now is 323.9 secs Computing kpt #: 136 total cpu time spent up to now is 326.4 secs Computing kpt #: 137 total cpu time spent up to now is 329.0 secs Computing kpt #: 138 total cpu time spent up to now is 331.6 secs Computing kpt #: 139 total cpu time spent up to now is 334.1 secs Computing kpt #: 140 total cpu time spent up to now is 336.7 secs Computing kpt #: 141 total cpu time spent up to now is 338.8 secs Computing kpt #: 142 total cpu time spent up to now is 341.0 secs Computing kpt #: 143 total cpu time spent up to now is 343.2 secs Computing kpt #: 144 total cpu time spent up to now is 345.3 secs Computing kpt #: 145 total cpu time spent up to now is 347.9 secs Computing kpt #: 146 total cpu time spent up to now is 350.4 secs Computing kpt #: 147 total cpu time spent up to now is 353.0 secs Computing kpt #: 148 total cpu time spent up to now is 355.5 secs Computing kpt #: 149 total cpu time spent up to now is 358.0 secs Computing kpt #: 150 total cpu time spent up to now is 360.6 secs Computing kpt #: 151 total cpu time spent up to now is 363.1 secs Computing kpt #: 152 total cpu time spent up to now is 365.7 secs Computing kpt #: 153 total cpu time spent up to now is 368.3 secs Computing kpt #: 154 total cpu time spent up to now is 370.8 secs Computing kpt #: 155 total cpu time spent up to now is 373.3 secs Computing kpt #: 156 total cpu time spent up to now is 375.8 secs Computing kpt #: 157 total cpu time spent up to now is 378.3 secs Computing kpt #: 158 total cpu time spent up to now is 380.9 secs Computing kpt #: 159 total cpu time spent up to now is 383.4 secs Computing kpt #: 160 total cpu time spent up to now is 385.9 secs Computing kpt #: 161 total cpu time spent up to now is 388.5 secs Computing kpt #: 162 total cpu time spent up to now is 391.0 secs Computing kpt #: 163 total cpu time spent up to now is 393.6 secs Computing kpt #: 164 total cpu time spent up to now is 396.1 secs Computing kpt #: 165 total cpu time spent up to now is 398.7 secs Computing kpt #: 166 total cpu time spent up to now is 401.3 secs Computing kpt #: 167 total cpu time spent up to now is 403.9 secs Computing kpt #: 168 total cpu time spent up to now is 406.5 secs Computing kpt #: 169 total cpu time spent up to now is 409.1 secs Computing kpt #: 170 total cpu time spent up to now is 411.9 secs Computing kpt #: 171 total cpu time spent up to now is 414.5 secs Computing kpt #: 172 total cpu time spent up to now is 417.1 secs Computing kpt #: 173 total cpu time spent up to now is 419.8 secs Computing kpt #: 174 total cpu time spent up to now is 422.4 secs Computing kpt #: 175 total cpu time spent up to now is 425.1 secs Computing kpt #: 176 total cpu time spent up to now is 427.7 secs Computing kpt #: 177 total cpu time spent up to now is 430.3 secs Computing kpt #: 178 total cpu time spent up to now is 433.0 secs Computing kpt #: 179 total cpu time spent up to now is 435.5 secs Computing kpt #: 180 total cpu time spent up to now is 438.1 secs Computing kpt #: 181 total cpu time spent up to now is 440.7 secs Computing kpt #: 182 total cpu time spent up to now is 443.3 secs Computing kpt #: 183 total cpu time spent up to now is 445.9 secs Computing kpt #: 184 total cpu time spent up to now is 448.5 secs Computing kpt #: 185 total cpu time spent up to now is 451.1 secs Computing kpt #: 186 total cpu time spent up to now is 453.6 secs Computing kpt #: 187 total cpu time spent up to now is 456.1 secs Computing kpt #: 188 total cpu time spent up to now is 458.2 secs Computing kpt #: 189 total cpu time spent up to now is 460.3 secs Computing kpt #: 190 total cpu time spent up to now is 462.4 secs Computing kpt #: 191 total cpu time spent up to now is 464.4 secs Computing kpt #: 192 total cpu time spent up to now is 466.5 secs Computing kpt #: 193 total cpu time spent up to now is 468.5 secs Computing kpt #: 194 total cpu time spent up to now is 470.6 secs Computing kpt #: 195 total cpu time spent up to now is 472.7 secs Computing kpt #: 196 total cpu time spent up to now is 474.8 secs Computing kpt #: 197 total cpu time spent up to now is 476.7 secs Computing kpt #: 198 total cpu time spent up to now is 478.7 secs Computing kpt #: 199 total cpu time spent up to now is 480.7 secs Computing kpt #: 200 total cpu time spent up to now is 482.7 secs Computing kpt #: 201 total cpu time spent up to now is 484.7 secs Computing kpt #: 202 total cpu time spent up to now is 486.7 secs Computing kpt #: 203 total cpu time spent up to now is 488.8 secs Computing kpt #: 204 total cpu time spent up to now is 490.8 secs Computing kpt #: 205 total cpu time spent up to now is 492.8 secs Computing kpt #: 206 total cpu time spent up to now is 494.9 secs Computing kpt #: 207 total cpu time spent up to now is 496.9 secs Computing kpt #: 208 total cpu time spent up to now is 498.9 secs Computing kpt #: 209 total cpu time spent up to now is 501.0 secs Computing kpt #: 210 total cpu time spent up to now is 503.0 secs Computing kpt #: 211 total cpu time spent up to now is 505.0 secs Computing kpt #: 212 total cpu time spent up to now is 507.1 secs Computing kpt #: 213 total cpu time spent up to now is 509.1 secs Computing kpt #: 214 total cpu time spent up to now is 511.1 secs Computing kpt #: 215 total cpu time spent up to now is 513.2 secs Computing kpt #: 216 total cpu time spent up to now is 515.2 secs Computing kpt #: 217 total cpu time spent up to now is 517.3 secs Computing kpt #: 218 total cpu time spent up to now is 519.3 secs Computing kpt #: 219 total cpu time spent up to now is 521.4 secs Computing kpt #: 220 total cpu time spent up to now is 523.4 secs Computing kpt #: 221 total cpu time spent up to now is 525.4 secs Computing kpt #: 222 total cpu time spent up to now is 527.4 secs Computing kpt #: 223 total cpu time spent up to now is 529.5 secs Computing kpt #: 224 total cpu time spent up to now is 531.5 secs Computing kpt #: 225 total cpu time spent up to now is 533.5 secs Computing kpt #: 226 total cpu time spent up to now is 535.5 secs Computing kpt #: 227 total cpu time spent up to now is 537.5 secs Computing kpt #: 228 total cpu time spent up to now is 539.5 secs Computing kpt #: 229 total cpu time spent up to now is 541.5 secs Computing kpt #: 230 total cpu time spent up to now is 543.6 secs Computing kpt #: 231 total cpu time spent up to now is 545.6 secs Computing kpt #: 232 total cpu time spent up to now is 547.7 secs Computing kpt #: 233 total cpu time spent up to now is 549.7 secs Computing kpt #: 234 total cpu time spent up to now is 551.7 secs Computing kpt #: 235 total cpu time spent up to now is 553.8 secs Computing kpt #: 236 total cpu time spent up to now is 555.8 secs Computing kpt #: 237 total cpu time spent up to now is 557.9 secs Computing kpt #: 238 total cpu time spent up to now is 559.9 secs Computing kpt #: 239 total cpu time spent up to now is 562.0 secs Computing kpt #: 240 total cpu time spent up to now is 564.1 secs Computing kpt #: 241 total cpu time spent up to now is 566.2 secs Computing kpt #: 242 total cpu time spent up to now is 568.3 secs Computing kpt #: 243 total cpu time spent up to now is 570.5 secs Computing kpt #: 244 total cpu time spent up to now is 572.6 secs Computing kpt #: 245 total cpu time spent up to now is 575.1 secs Computing kpt #: 246 total cpu time spent up to now is 577.6 secs Computing kpt #: 247 total cpu time spent up to now is 580.1 secs Computing kpt #: 248 total cpu time spent up to now is 582.7 secs Computing kpt #: 249 total cpu time spent up to now is 585.2 secs Computing kpt #: 250 total cpu time spent up to now is 587.7 secs Computing kpt #: 251 total cpu time spent up to now is 590.2 secs Computing kpt #: 252 total cpu time spent up to now is 592.8 secs Computing kpt #: 253 total cpu time spent up to now is 595.3 secs Computing kpt #: 254 total cpu time spent up to now is 597.9 secs Computing kpt #: 255 total cpu time spent up to now is 600.4 secs Computing kpt #: 256 total cpu time spent up to now is 603.0 secs Computing kpt #: 257 total cpu time spent up to now is 605.2 secs Computing kpt #: 258 total cpu time spent up to now is 607.7 secs Computing kpt #: 259 total cpu time spent up to now is 610.3 secs Computing kpt #: 260 total cpu time spent up to now is 612.8 secs Computing kpt #: 261 total cpu time spent up to now is 615.4 secs Computing kpt #: 262 total cpu time spent up to now is 617.5 secs Computing kpt #: 263 total cpu time spent up to now is 619.5 secs Computing kpt #: 264 total cpu time spent up to now is 621.6 secs Computing kpt #: 265 total cpu time spent up to now is 623.7 secs Computing kpt #: 266 total cpu time spent up to now is 625.8 secs Computing kpt #: 267 total cpu time spent up to now is 627.8 secs Computing kpt #: 268 total cpu time spent up to now is 629.9 secs Computing kpt #: 269 total cpu time spent up to now is 631.9 secs Computing kpt #: 270 total cpu time spent up to now is 633.9 secs Computing kpt #: 271 total cpu time spent up to now is 635.9 secs Computing kpt #: 272 total cpu time spent up to now is 637.9 secs ethr = 1.67E-08, avg # of iterations = 20.6 total cpu time spent up to now is 637.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 17087 PWs) bands (ev): -67.9918 -67.9918 -40.0847 -40.0847 -39.1264 -39.1264 -39.0983 -39.0983 -21.0210 -21.0210 -21.0089 -21.0089 -10.6742 -10.6742 -10.5442 -10.5442 -10.2916 -10.2916 -10.2075 -10.2075 -6.4593 -6.4593 -6.4234 -6.4234 -5.8856 -5.8856 -5.8550 -5.8550 -5.3393 -5.3393 -5.1450 -5.1450 0.1749 0.1749 0.7996 0.7996 1.3882 1.3882 1.4037 1.4037 1.5227 1.5227 1.5457 1.5457 2.0405 2.0405 2.1910 2.1910 3.0457 3.0457 3.1310 3.1310 3.1471 3.1471 3.1540 3.1540 3.2989 3.2989 3.3246 3.3246 3.3344 3.3344 3.3878 3.3878 3.4556 3.4556 4.0271 4.0271 8.1838 8.1838 8.2257 8.2257 k = 0.0000 0.0000 0.0271 ( 17083 PWs) bands (ev): -67.9917 -67.9917 -40.0847 -40.0847 -39.1264 -39.1264 -39.0983 -39.0983 -21.0210 -21.0210 -21.0089 -21.0089 -10.6748 -10.6748 -10.5450 -10.5450 -10.2923 -10.2923 -10.2084 -10.2084 -6.4580 -6.4580 -6.4214 -6.4214 -5.8838 -5.8838 -5.8532 -5.8532 -5.3389 -5.3389 -5.1447 -5.1447 0.1748 0.1748 0.7989 0.7989 1.3877 1.3877 1.4033 1.4033 1.5216 1.5216 1.5448 1.5448 2.0400 2.0400 2.1905 2.1905 3.0461 3.0461 3.1312 3.1312 3.1446 3.1446 3.1516 3.1516 3.2974 3.2974 3.3215 3.3215 3.3347 3.3347 3.3869 3.3869 3.4549 3.4549 4.0290 4.0290 8.1813 8.1813 8.2229 8.2229 k = 0.0000 0.0000 0.0543 ( 17059 PWs) bands (ev): -67.9912 -67.9912 -40.0846 -40.0846 -39.1263 -39.1263 -39.0982 -39.0982 -21.0208 -21.0208 -21.0087 -21.0087 -10.6766 -10.6766 -10.5475 -10.5475 -10.2945 -10.2945 -10.2111 -10.2111 -6.4540 -6.4540 -6.4155 -6.4155 -5.8782 -5.8782 -5.8479 -5.8479 -5.3379 -5.3379 -5.1438 -5.1438 0.1748 0.1748 0.7971 0.7971 1.3848 1.3848 1.4034 1.4034 1.5169 1.5169 1.5438 1.5438 2.0393 2.0393 2.1893 2.1893 3.0472 3.0472 3.1299 3.1299 3.1373 3.1373 3.1452 3.1452 3.2927 3.2927 3.3124 3.3124 3.3352 3.3352 3.3849 3.3849 3.4561 3.4561 4.0348 4.0348 8.1723 8.1723 8.2160 8.2160 k = 0.0000 0.0000 0.0814 ( 17035 PWs) bands (ev): -67.9907 -67.9907 -40.0846 -40.0846 -39.1263 -39.1263 -39.0981 -39.0981 -21.0206 -21.0206 -21.0085 -21.0085 -10.6797 -10.6797 -10.5517 -10.5517 -10.2980 -10.2980 -10.2154 -10.2154 -6.4472 -6.4472 -6.4058 -6.4058 -5.8689 -5.8689 -5.8390 -5.8390 -5.3362 -5.3362 -5.1423 -5.1423 0.1747 0.1747 0.7940 0.7940 1.3777 1.3777 1.4059 1.4059 1.5063 1.5063 1.5450 1.5450 2.0378 2.0378 2.1871 2.1871 3.0481 3.0481 3.1212 3.1212 3.1280 3.1280 3.1388 3.1388 3.2839 3.2839 3.2974 3.2974 3.3360 3.3360 3.3819 3.3819 3.4557 3.4557 4.0441 4.0441 8.1543 8.1543 8.2084 8.2084 k = 0.0000 0.0000 0.1085 ( 17011 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1262 -39.1262 -39.0980 -39.0980 -21.0203 -21.0203 -21.0083 -21.0083 -10.6840 -10.6840 -10.5574 -10.5574 -10.3030 -10.3030 -10.2215 -10.2215 -6.4377 -6.4377 -6.3925 -6.3925 -5.8559 -5.8559 -5.8266 -5.8266 -5.3338 -5.3338 -5.1402 -5.1402 0.1745 0.1745 0.7897 0.7897 1.3663 1.3663 1.4110 1.4110 1.4894 1.4894 1.5490 1.5490 2.0356 2.0356 2.1841 2.1841 3.0488 3.0488 3.1026 3.1026 3.1138 3.1138 3.1364 3.1364 3.2703 3.2703 3.2769 3.2769 3.3372 3.3372 3.3789 3.3789 3.4551 3.4551 4.0568 4.0568 8.1267 8.1267 8.2017 8.2017 k = 0.0000 0.0000 0.1357 ( 17015 PWs) bands (ev): -67.9902 -67.9902 -40.0845 -40.0845 -39.1262 -39.1262 -39.0981 -39.0981 -21.0198 -21.0198 -21.0079 -21.0079 -10.6895 -10.6895 -10.5647 -10.5647 -10.3093 -10.3093 -10.2292 -10.2292 -6.4254 -6.4254 -6.3756 -6.3756 -5.8393 -5.8393 -5.8108 -5.8108 -5.3307 -5.3307 -5.1374 -5.1374 0.1743 0.1743 0.7842 0.7842 1.3509 1.3509 1.4182 1.4182 1.4671 1.4671 1.5552 1.5552 2.0326 2.0326 2.1803 2.1803 3.0470 3.0470 3.0782 3.0782 3.0955 3.0955 3.1337 3.1337 3.2505 3.2505 3.2519 3.2519 3.3372 3.3372 3.3752 3.3752 3.4532 3.4532 4.0726 4.0726 8.0914 8.0914 8.1954 8.1954 k = 0.0000 0.0000 0.1628 ( 17027 PWs) bands (ev): -67.9905 -67.9905 -40.0845 -40.0845 -39.1262 -39.1262 -39.0981 -39.0981 -21.0193 -21.0193 -21.0075 -21.0075 -10.6961 -10.6961 -10.5735 -10.5735 -10.3169 -10.3169 -10.2385 -10.2385 -6.4104 -6.4104 -6.3554 -6.3554 -5.8192 -5.8192 -5.7916 -5.7916 -5.3269 -5.3269 -5.1339 -5.1339 0.1741 0.1741 0.7776 0.7776 1.3321 1.3321 1.4267 1.4267 1.4403 1.4403 1.5632 1.5632 2.0289 2.0289 2.1755 2.1755 3.0388 3.0388 3.0490 3.0490 3.0777 3.0777 3.1308 3.1308 3.2214 3.2214 3.2262 3.2262 3.3367 3.3367 3.3718 3.3718 3.4503 3.4503 4.0912 4.0912 8.0505 8.0505 8.1888 8.1888 k = 0.0000 0.0000 0.1900 ( 17025 PWs) bands (ev): -67.9905 -67.9905 -40.0845 -40.0845 -39.1262 -39.1262 -39.0981 -39.0981 -21.0187 -21.0187 -21.0070 -21.0070 -10.7038 -10.7038 -10.5838 -10.5838 -10.3257 -10.3257 -10.2492 -10.2492 -6.3928 -6.3928 -6.3321 -6.3321 -5.7958 -5.7958 -5.7692 -5.7692 -5.3223 -5.3223 -5.1297 -5.1297 0.1739 0.1739 0.7699 0.7699 1.3101 1.3101 1.4078 1.4078 1.4384 1.4384 1.5729 1.5729 2.0246 2.0246 2.1698 2.1698 3.0122 3.0122 3.0210 3.0210 3.0686 3.0686 3.1251 3.1251 3.1895 3.1895 3.1957 3.1957 3.3373 3.3373 3.3699 3.3699 3.4476 3.4476 4.1125 4.1125 8.0056 8.0056 8.1815 8.1815 k = 0.0000 0.0000 0.2171 ( 17023 PWs) bands (ev): -67.9904 -67.9904 -40.0845 -40.0845 -39.1262 -39.1262 -39.0981 -39.0981 -21.0181 -21.0181 -21.0065 -21.0065 -10.7125 -10.7125 -10.5953 -10.5953 -10.3356 -10.3356 -10.2613 -10.2613 -6.3727 -6.3727 -6.3057 -6.3057 -5.7690 -5.7690 -5.7437 -5.7437 -5.3169 -5.3169 -5.1248 -5.1248 0.1736 0.1736 0.7613 0.7613 1.2851 1.2851 1.3725 1.3725 1.4506 1.4506 1.5842 1.5842 2.0198 2.0198 2.1632 2.1632 2.9732 2.9732 2.9894 2.9894 3.0661 3.0661 3.1118 3.1118 3.1600 3.1600 3.1617 3.1617 3.3376 3.3376 3.3684 3.3684 3.4448 3.4448 4.1361 4.1361 7.9580 7.9580 8.1734 8.1734 k = 0.0000 0.0000 0.2442 ( 17015 PWs) bands (ev): -67.9902 -67.9902 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -21.0173 -21.0173 -21.0058 -21.0058 -10.7221 -10.7221 -10.6081 -10.6081 -10.3466 -10.3466 -10.2747 -10.2747 -6.3502 -6.3502 -6.2766 -6.2766 -5.7390 -5.7390 -5.7152 -5.7152 -5.3107 -5.3107 -5.1191 -5.1191 0.1734 0.1734 0.7517 0.7517 1.2574 1.2574 1.3337 1.3337 1.4645 1.4645 1.5968 1.5968 2.0143 2.0143 2.1556 2.1556 2.9293 2.9293 2.9518 2.9518 3.0614 3.0614 3.0869 3.0869 3.1195 3.1195 3.1474 3.1474 3.3384 3.3384 3.3677 3.3677 3.4410 3.4410 4.1618 4.1618 7.9087 7.9087 8.1644 8.1644 k = 0.0000 0.0000 0.2714 ( 17019 PWs) bands (ev): -67.9903 -67.9903 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -21.0165 -21.0165 -21.0051 -21.0051 -10.7327 -10.7327 -10.6221 -10.6221 -10.3586 -10.3586 -10.2893 -10.2893 -6.3255 -6.3255 -6.2449 -6.2449 -5.7061 -5.7061 -5.6839 -5.6839 -5.3037 -5.3037 -5.1125 -5.1125 0.1731 0.1731 0.7413 0.7413 1.2270 1.2270 1.2920 1.2920 1.4798 1.4798 1.6108 1.6108 2.0082 2.0082 2.1469 2.1469 2.8810 2.8810 2.9096 2.9096 3.0275 3.0275 3.0735 3.0735 3.0792 3.0792 3.1415 3.1415 3.3383 3.3383 3.3667 3.3667 3.4373 3.4373 4.1892 4.1892 7.8584 7.8584 8.1544 8.1544 k = 0.0000 0.0000 0.2985 ( 17011 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -21.0156 -21.0156 -21.0044 -21.0044 -10.7440 -10.7440 -10.6371 -10.6371 -10.3715 -10.3715 -10.3050 -10.3050 -6.2988 -6.2988 -6.2109 -6.2109 -5.6704 -5.6704 -5.6500 -5.6500 -5.2956 -5.2956 -5.1050 -5.1050 0.1729 0.1729 0.7300 0.7300 1.1944 1.1944 1.2477 1.2477 1.4965 1.4965 1.6261 1.6261 2.0016 2.0016 2.1372 2.1372 2.8288 2.8288 2.8636 2.8636 2.9775 2.9775 3.0253 3.0253 3.0799 3.0799 3.1384 3.1384 3.3401 3.3401 3.3673 3.3673 3.4330 3.4330 4.2181 4.2181 7.8076 7.8076 8.1435 8.1435 k = 0.0000 0.0000 0.3256 ( 17007 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -21.0146 -21.0146 -21.0036 -21.0036 -10.7560 -10.7560 -10.6530 -10.6530 -10.3851 -10.3851 -10.3216 -10.3216 -6.2703 -6.2703 -6.1747 -6.1747 -5.6320 -5.6320 -5.6136 -5.6136 -5.2864 -5.2864 -5.0965 -5.0965 0.1727 0.1727 0.7181 0.7181 1.1596 1.1596 1.2013 1.2013 1.5145 1.5145 1.6426 1.6426 1.9944 1.9944 2.1262 2.1262 2.7729 2.7729 2.8143 2.8143 2.9217 2.9217 2.9726 2.9726 3.0833 3.0833 3.1368 3.1368 3.3407 3.3407 3.3671 3.3671 3.4291 3.4291 4.2484 4.2484 7.7569 7.7569 8.1316 8.1316 k = 0.0000 0.0000 0.3528 ( 17009 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -21.0136 -21.0136 -21.0027 -21.0027 -10.7687 -10.7687 -10.6697 -10.6697 -10.3995 -10.3995 -10.3390 -10.3390 -6.2403 -6.2403 -6.1366 -6.1366 -5.5914 -5.5914 -5.5749 -5.5749 -5.2759 -5.2759 -5.0869 -5.0869 0.1725 0.1725 0.7056 0.7056 1.1229 1.1229 1.1534 1.1534 1.5337 1.5337 1.6601 1.6601 1.9866 1.9866 2.1139 2.1139 2.7135 2.7135 2.7622 2.7622 2.8621 2.8621 2.9168 2.9168 3.0870 3.0870 3.1353 3.1353 3.3414 3.3414 3.3670 3.3670 3.4246 3.4246 4.2798 4.2798 7.7067 7.7067 8.1189 8.1189 k = 0.0000 0.0000 0.3799 ( 17007 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -21.0125 -21.0125 -21.0018 -21.0018 -10.7820 -10.7820 -10.6871 -10.6871 -10.4145 -10.4145 -10.3571 -10.3571 -6.2089 -6.2089 -6.0970 -6.0970 -5.5489 -5.5489 -5.5340 -5.5340 -5.2639 -5.2639 -5.0762 -5.0762 0.1723 0.1723 0.6926 0.6926 1.0841 1.0841 1.1045 1.1045 1.5540 1.5540 1.6786 1.6786 1.9784 1.9784 2.1000 2.1000 2.6509 2.6509 2.7078 2.7078 2.7994 2.7994 2.8581 2.8581 3.0911 3.0911 3.1339 3.1339 3.3425 3.3425 3.3672 3.3672 3.4205 3.4205 4.3121 4.3121 7.6571 7.6571 8.1052 8.1052 k = 0.0000 0.0000 0.4070 ( 16999 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1261 -39.1261 -39.0980 -39.0980 -21.0114 -21.0114 -21.0009 -21.0009 -10.7957 -10.7957 -10.7051 -10.7051 -10.4299 -10.4299 -10.3758 -10.3758 -6.1764 -6.1764 -6.0561 -6.0561 -5.5052 -5.5052 -5.4910 -5.4910 -5.2500 -5.2500 -5.0643 -5.0643 0.1722 0.1722 0.6791 0.6791 1.0427 1.0427 1.0560 1.0560 1.5752 1.5752 1.6980 1.6980 1.9696 1.9696 2.0844 2.0844 2.5854 2.5854 2.6517 2.6517 2.7343 2.7343 2.7971 2.7971 3.0955 3.0955 3.1330 3.1330 3.3442 3.3442 3.3677 3.3677 3.4164 3.4164 4.3451 4.3451 7.6086 7.6086 8.0908 8.0908 k = 0.0000 0.0000 0.4342 ( 16989 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0102 -21.0102 -20.9999 -20.9999 -10.8099 -10.8099 -10.7235 -10.7235 -10.4458 -10.4458 -10.3950 -10.3950 -6.1431 -6.1431 -6.0142 -6.0142 -5.4614 -5.4614 -5.4455 -5.4455 -5.2336 -5.2336 -5.0510 -5.0510 0.1722 0.1722 0.6654 0.6654 0.9965 0.9965 1.0105 1.0105 1.5972 1.5972 1.7179 1.7179 1.9603 1.9603 2.0667 2.0667 2.5173 2.5173 2.5945 2.5945 2.6671 2.6671 2.7342 2.7342 3.1002 3.1002 3.1325 3.1325 3.3458 3.3458 3.3680 3.3680 3.4129 3.4129 4.3786 4.3786 7.5613 7.5613 8.0755 8.0755 k = 0.0000 0.0000 0.4613 ( 17001 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0090 -21.0090 -20.9989 -20.9989 -10.8243 -10.8243 -10.7424 -10.7424 -10.4619 -10.4619 -10.4145 -10.4145 -6.1092 -6.1092 -5.9717 -5.9717 -5.4185 -5.4185 -5.3976 -5.3976 -5.2142 -5.2142 -5.0362 -5.0362 0.1721 0.1721 0.6513 0.6513 0.9467 0.9467 0.9675 0.9675 1.6197 1.6197 1.7383 1.7383 1.9504 1.9504 2.0464 2.0464 2.4468 2.4468 2.5369 2.5369 2.5985 2.5985 2.6701 2.6701 3.1040 3.1040 3.1299 3.1299 3.3478 3.3478 3.3680 3.3680 3.4079 3.4079 4.4123 4.4123 7.5154 7.5154 8.0596 8.0596 k = 0.0000 0.0000 0.4884 ( 17013 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -21.0077 -21.0077 -20.9979 -20.9979 -10.8390 -10.8390 -10.7614 -10.7614 -10.4783 -10.4783 -10.4342 -10.4342 -6.0750 -6.0750 -5.9290 -5.9290 -5.3772 -5.3772 -5.3477 -5.3477 -5.1909 -5.1909 -5.0199 -5.0199 0.1722 0.1722 0.6371 0.6371 0.8958 0.8958 0.9250 0.9250 1.6423 1.6423 1.7586 1.7586 1.9402 1.9402 2.0231 2.0231 2.3743 2.3743 2.4797 2.4797 2.5291 2.5291 2.6054 2.6054 3.1084 3.1084 3.1277 3.1277 3.3489 3.3489 3.3671 3.3671 3.4039 3.4039 4.4463 4.4463 7.4712 7.4712 8.0429 8.0429 k = 0.0000 0.0000 0.5156 ( 17005 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -21.0064 -21.0064 -20.9968 -20.9968 -10.8538 -10.8538 -10.7806 -10.7806 -10.4947 -10.4947 -10.4540 -10.4540 -6.0407 -6.0407 -5.8865 -5.8865 -5.3382 -5.3382 -5.2962 -5.2962 -5.1627 -5.1627 -5.0020 -5.0020 0.1722 0.1722 0.6228 0.6228 0.8449 0.8449 0.8826 0.8826 1.6649 1.6649 1.7782 1.7782 1.9300 1.9300 1.9962 1.9962 2.3000 2.3000 2.4236 2.4236 2.4594 2.4594 2.5410 2.5410 3.1135 3.1135 3.1269 3.1269 3.3507 3.3507 3.3664 3.3664 3.4013 3.4013 4.4805 4.4805 7.4288 7.4288 8.0257 8.0257 k = 0.0000 0.0000 0.5427 ( 17018 PWs) bands (ev): -67.9902 -67.9902 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -21.0051 -21.0051 -20.9957 -20.9957 -10.8686 -10.8686 -10.7999 -10.7999 -10.5112 -10.5112 -10.4739 -10.4739 -6.0067 -6.0067 -5.8447 -5.8447 -5.3020 -5.3020 -5.2436 -5.2436 -5.1292 -5.1292 -4.9822 -4.9822 0.1723 0.1723 0.6084 0.6084 0.7946 0.7946 0.8401 0.8401 1.6866 1.6866 1.7958 1.7958 1.9203 1.9203 1.9653 1.9653 2.2245 2.2245 2.3692 2.3692 2.3904 2.3904 2.4780 2.4780 3.1172 3.1172 3.1258 3.1258 3.3517 3.3517 3.3645 3.3645 3.3982 3.3982 4.5144 4.5144 7.3884 7.3884 8.0079 8.0079 k = 0.0000 0.0000 0.5699 ( 17018 PWs) bands (ev): -67.9902 -67.9902 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -21.0038 -21.0038 -20.9946 -20.9946 -10.8835 -10.8835 -10.8190 -10.8190 -10.5277 -10.5277 -10.4936 -10.4936 -5.9730 -5.9730 -5.8040 -5.8040 -5.2683 -5.2683 -5.1905 -5.1905 -5.0903 -5.0903 -4.9604 -4.9604 0.1723 0.1723 0.5940 0.5940 0.7452 0.7452 0.7977 0.7977 1.7069 1.7069 1.8083 1.8083 1.9129 1.9129 1.9301 1.9301 2.1481 2.1481 2.3159 2.3159 2.3238 2.3238 2.4179 2.4179 3.1208 3.1208 3.1257 3.1257 3.3532 3.3532 3.3625 3.3625 3.3967 3.3967 4.5481 4.5481 7.3503 7.3503 7.9897 7.9897 k = 0.0000 0.0000 0.5970 ( 16990 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0025 -21.0025 -20.9935 -20.9935 -10.8982 -10.8982 -10.8380 -10.8380 -10.5440 -10.5440 -10.5132 -10.5132 -5.9401 -5.9401 -5.7649 -5.7649 -5.2365 -5.2365 -5.1374 -5.1374 -5.0468 -5.0468 -4.9363 -4.9363 0.1723 0.1723 0.5795 0.5795 0.6973 0.6973 0.7557 0.7557 1.7244 1.7244 1.8106 1.8106 1.8913 1.8913 1.9118 1.9118 2.0716 2.0716 2.2559 2.2559 2.2689 2.2689 2.3625 2.3625 3.1228 3.1228 3.1287 3.1287 3.3548 3.3548 3.3624 3.3624 3.3977 3.3977 4.5816 4.5816 7.3145 7.3145 7.9713 7.9713 k = 0.0000 0.0000 0.6241 ( 16996 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0011 -21.0011 -20.9924 -20.9924 -10.9128 -10.9128 -10.8568 -10.8568 -10.5601 -10.5601 -10.5325 -10.5325 -5.9080 -5.9080 -5.7280 -5.7280 -5.2055 -5.2055 -5.0849 -5.0849 -4.9997 -4.9997 -4.9098 -4.9098 0.1721 0.1721 0.5647 0.5647 0.6514 0.6514 0.7142 0.7142 1.7371 1.7371 1.7959 1.7959 1.8524 1.8524 1.9167 1.9167 1.9969 1.9969 2.1953 2.1953 2.2212 2.2212 2.3138 2.3138 3.1225 3.1225 3.1327 3.1327 3.3534 3.3534 3.3605 3.3605 3.3978 3.3978 4.6143 4.6143 7.2814 7.2814 7.9525 7.9525 k = 0.0000 0.0000 0.6513 ( 16994 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9998 -20.9998 -20.9913 -20.9913 -10.9272 -10.9272 -10.8752 -10.8752 -10.5759 -10.5759 -10.5514 -10.5514 -5.8769 -5.8769 -5.6936 -5.6936 -5.1742 -5.1742 -5.0338 -5.0338 -4.9500 -4.9500 -4.8802 -4.8802 0.1717 0.1717 0.5485 0.5485 0.6090 0.6090 0.6734 0.6734 1.7410 1.7410 1.7625 1.7625 1.8167 1.8167 1.9044 1.9044 1.9471 1.9471 2.1406 2.1406 2.1775 2.1775 2.2726 2.2726 3.1213 3.1213 3.1376 3.1376 3.3514 3.3514 3.3597 3.3597 3.3989 3.3989 4.6462 4.6462 7.2510 7.2510 7.9335 7.9335 k = 0.0000 0.0000 0.6784 ( 17004 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9985 -20.9985 -20.9902 -20.9902 -10.9412 -10.9412 -10.8932 -10.8932 -10.5913 -10.5913 -10.5699 -10.5699 -5.8471 -5.8471 -5.6620 -5.6620 -5.1420 -5.1420 -4.9849 -4.9849 -4.8987 -4.8987 -4.8472 -4.8472 0.1710 0.1710 0.5282 0.5282 0.5731 0.5731 0.6334 0.6334 1.7091 1.7091 1.7388 1.7388 1.7803 1.7803 1.8405 1.8405 1.9546 1.9546 2.0946 2.0946 2.1410 2.1410 2.2387 2.2387 3.1188 3.1188 3.1413 3.1413 3.3483 3.3483 3.3591 3.3591 3.4010 3.4010 4.6771 4.6771 7.2235 7.2235 7.9146 7.9146 k = 0.0000 0.0000 0.7055 ( 17004 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9972 -20.9972 -20.9892 -20.9892 -10.9549 -10.9549 -10.9108 -10.9108 -10.6063 -10.6063 -10.5878 -10.5878 -5.8186 -5.8186 -5.6334 -5.6334 -5.1085 -5.1085 -4.9392 -4.9392 -4.8464 -4.8464 -4.8102 -4.8102 0.1698 0.1698 0.5000 0.5000 0.5480 0.5480 0.5945 0.5945 1.6538 1.6538 1.7114 1.7114 1.7378 1.7378 1.7794 1.7794 1.9668 1.9668 2.0605 2.0605 2.1155 2.1155 2.2108 2.2108 3.1184 3.1184 3.1450 3.1450 3.3454 3.3454 3.3583 3.3583 3.4030 3.4030 4.7071 4.7071 7.1992 7.1992 7.8957 7.8957 k = 0.0000 0.0000 0.7327 ( 16996 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9960 -20.9960 -20.9881 -20.9881 -10.9682 -10.9682 -10.9277 -10.9277 -10.6209 -10.6209 -10.6052 -10.6052 -5.7916 -5.7916 -5.6080 -5.6080 -5.0735 -5.0735 -4.8971 -4.8971 -4.7938 -4.7938 -4.7693 -4.7693 0.1679 0.1679 0.4666 0.4666 0.5312 0.5312 0.5569 0.5569 1.5943 1.5943 1.6551 1.6551 1.6949 1.6949 1.7294 1.7294 1.9698 1.9698 2.0444 2.0444 2.1034 2.1034 2.1879 2.1879 3.1183 3.1183 3.1490 3.1490 3.3425 3.3425 3.3573 3.3573 3.4059 3.4059 4.7358 4.7358 7.1783 7.1783 7.8770 7.8770 k = 0.0000 0.0000 0.7598 ( 16996 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9947 -20.9947 -20.9871 -20.9871 -10.9810 -10.9810 -10.9440 -10.9440 -10.6348 -10.6348 -10.6219 -10.6219 -5.7661 -5.7661 -5.5857 -5.5857 -5.0370 -5.0370 -4.8586 -4.8586 -4.7415 -4.7415 -4.7250 -4.7250 0.1649 0.1649 0.4331 0.4331 0.5168 0.5168 0.5223 0.5223 1.5331 1.5331 1.5859 1.5859 1.6476 1.6476 1.6817 1.6817 1.9590 1.9590 2.0482 2.0482 2.1033 2.1033 2.1690 2.1690 3.1165 3.1165 3.1529 3.1529 3.3399 3.3399 3.3562 3.3562 3.4087 3.4087 4.7631 4.7631 7.1607 7.1607 7.8586 7.8586 k = 0.0000 0.0000 0.7869 ( 16980 PWs) bands (ev): -67.9893 -67.9893 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -20.9936 -20.9936 -20.9861 -20.9861 -10.9933 -10.9933 -10.9597 -10.9597 -10.6482 -10.6482 -10.6379 -10.6379 -5.7421 -5.7421 -5.5663 -5.5663 -4.9993 -4.9993 -4.8230 -4.8230 -4.6898 -4.6898 -4.6784 -4.6784 0.1606 0.1606 0.4019 0.4019 0.4851 0.4851 0.5084 0.5084 1.4714 1.4714 1.5147 1.5147 1.5954 1.5954 1.6312 1.6312 1.9428 1.9428 2.0615 2.0615 2.1118 2.1118 2.1544 2.1544 3.1164 3.1164 3.1569 3.1569 3.3375 3.3375 3.3552 3.3552 3.4128 3.4128 4.7889 4.7889 7.1466 7.1466 7.8405 7.8405 k = 0.0000 0.0000 0.8141 ( 16980 PWs) bands (ev): -67.9893 -67.9893 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -20.9924 -20.9924 -20.9852 -20.9852 -11.0050 -11.0050 -10.9745 -10.9745 -10.6610 -10.6610 -10.6530 -10.6530 -5.7198 -5.7198 -5.5497 -5.5497 -4.9608 -4.9608 -4.7899 -4.7899 -4.6393 -4.6393 -4.6307 -4.6307 0.1545 0.1545 0.3742 0.3742 0.4522 0.4522 0.4989 0.4989 1.4099 1.4099 1.4444 1.4444 1.5410 1.5410 1.5780 1.5780 1.9270 1.9270 2.0759 2.0759 2.1242 2.1242 2.1461 2.1461 3.1164 3.1164 3.1604 3.1604 3.3341 3.3341 3.3530 3.3530 3.4159 3.4159 4.8130 4.8130 7.1361 7.1361 7.8230 7.8230 k = 0.0000 0.0000 0.8412 ( 16972 PWs) bands (ev): -67.9891 -67.9891 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -20.9913 -20.9913 -20.9843 -20.9843 -11.0161 -11.0161 -10.9886 -10.9886 -10.6731 -10.6731 -10.6674 -10.6674 -5.6990 -5.6990 -5.5355 -5.5355 -4.9220 -4.9220 -4.7587 -4.7587 -4.5902 -4.5902 -4.5829 -4.5829 0.1464 0.1464 0.3504 0.3504 0.4210 0.4210 0.4906 0.4906 1.3492 1.3492 1.3765 1.3765 1.4861 1.4861 1.5234 1.5234 1.9128 1.9128 2.0857 2.0857 2.1327 2.1327 2.1525 2.1525 3.1153 3.1153 3.1638 3.1638 3.3312 3.3312 3.3513 3.3513 3.4207 3.4207 4.8352 4.8352 7.1291 7.1291 7.8061 7.8061 k = 0.0000 0.0000 0.8683 ( 16966 PWs) bands (ev): -67.9889 -67.9889 -40.0843 -40.0843 -39.1259 -39.1259 -39.0980 -39.0980 -20.9903 -20.9903 -20.9834 -20.9834 -11.0265 -11.0265 -11.0018 -11.0018 -10.6844 -10.6844 -10.6808 -10.6808 -5.6798 -5.6798 -5.5235 -5.5235 -4.8832 -4.8832 -4.7292 -4.7292 -4.5429 -4.5429 -4.5361 -4.5361 0.1359 0.1359 0.3309 0.3309 0.3921 0.3921 0.4835 0.4835 1.2895 1.2895 1.3120 1.3120 1.4320 1.4320 1.4687 1.4687 1.9004 1.9004 2.0869 2.0869 2.1414 2.1414 2.1704 2.1704 3.1150 3.1150 3.1672 3.1672 3.3284 3.3284 3.3497 3.3497 3.4238 3.4238 4.8558 4.8558 7.1255 7.1255 7.7899 7.7899 k = 0.0000 0.0000 0.8955 ( 16988 PWs) bands (ev): -67.9894 -67.9894 -40.0844 -40.0844 -39.1259 -39.1259 -39.0981 -39.0981 -20.9893 -20.9893 -20.9826 -20.9826 -11.0362 -11.0362 -11.0141 -11.0141 -10.6951 -10.6951 -10.6933 -10.6933 -5.6622 -5.6622 -5.5135 -5.5135 -4.8450 -4.8450 -4.7015 -4.7015 -4.4977 -4.4977 -4.4908 -4.4908 0.1233 0.1233 0.3151 0.3151 0.3659 0.3659 0.4775 0.4775 1.2307 1.2307 1.2519 1.2519 1.3799 1.3799 1.4151 1.4151 1.8895 1.8895 2.0820 2.0820 2.1549 2.1549 2.1909 2.1909 3.1122 3.1122 3.1695 3.1695 3.3249 3.3249 3.3473 3.3473 3.4258 3.4258 4.8742 4.8742 7.1251 7.1251 7.7746 7.7746 k = 0.0000 0.0000 0.9226 ( 16998 PWs) bands (ev): -67.9896 -67.9896 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -20.9884 -20.9884 -20.9819 -20.9819 -11.0452 -11.0452 -11.0255 -11.0255 -10.7055 -10.7055 -10.7042 -10.7042 -5.6461 -5.6461 -5.5052 -5.5052 -4.8079 -4.8079 -4.6757 -4.6757 -4.4550 -4.4550 -4.4477 -4.4477 0.1092 0.1092 0.3017 0.3017 0.3435 0.3435 0.4724 0.4724 1.1733 1.1733 1.1970 1.1970 1.3302 1.3302 1.3635 1.3635 1.8800 1.8800 2.0751 2.0751 2.1701 2.1701 2.2120 2.2120 3.1109 3.1109 3.1717 3.1717 3.3215 3.3215 3.3454 3.3454 3.4281 3.4281 4.8908 4.8908 7.1277 7.1277 7.7602 7.7602 k = 0.0000 0.0000 0.9498 ( 17004 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9876 -20.9876 -20.9812 -20.9812 -11.0535 -11.0535 -11.0359 -11.0359 -10.7158 -10.7158 -10.7134 -10.7134 -5.6316 -5.6316 -5.4983 -5.4983 -4.7722 -4.7722 -4.6519 -4.6519 -4.4151 -4.4151 -4.4073 -4.4073 0.0942 0.0942 0.2884 0.2884 0.3266 0.3266 0.4684 0.4684 1.1184 1.1184 1.1469 1.1469 1.2838 1.2838 1.3144 1.3144 1.8716 1.8716 2.0682 2.0682 2.1852 2.1852 2.2326 2.2326 3.1101 3.1101 3.1738 3.1738 3.3178 3.3178 3.3435 3.3435 3.4310 3.4310 4.9055 4.9055 7.1330 7.1330 7.7468 7.7468 k = 0.0000 0.0000 0.9769 ( 17002 PWs) bands (ev): -67.9897 -67.9897 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9868 -20.9868 -20.9805 -20.9805 -11.0609 -11.0609 -11.0453 -11.0453 -10.7253 -10.7253 -10.7215 -10.7215 -5.6185 -5.6185 -5.4928 -5.4928 -4.7385 -4.7385 -4.6304 -4.6304 -4.3783 -4.3783 -4.3699 -4.3699 0.0792 0.0792 0.2735 0.2735 0.3162 0.3162 0.4653 0.4653 1.0670 1.0670 1.1014 1.1014 1.2409 1.2409 1.2687 1.2687 1.8643 1.8643 2.0617 2.0617 2.1996 2.1996 2.2523 2.2523 3.1096 3.1096 3.1758 3.1758 3.3147 3.3147 3.3424 3.3424 3.4338 3.4338 4.9184 4.9184 7.1404 7.1404 7.7346 7.7346 k = 0.0000 0.0000 1.0040 ( 17014 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9861 -20.9861 -20.9800 -20.9800 -11.0675 -11.0675 -11.0537 -11.0537 -10.7338 -10.7338 -10.7287 -10.7287 -5.6069 -5.6069 -5.4884 -5.4884 -4.7070 -4.7070 -4.6115 -4.6115 -4.3449 -4.3449 -4.3360 -4.3360 0.0647 0.0647 0.2577 0.2577 0.3111 0.3111 0.4630 0.4630 1.0199 1.0199 1.0607 1.0607 1.2022 1.2022 1.2267 1.2267 1.8580 1.8580 2.0557 2.0557 2.2127 2.2127 2.2706 2.2706 3.1086 3.1086 3.1772 3.1772 3.3112 3.3112 3.3408 3.3408 3.4355 3.4355 4.9295 4.9295 7.1495 7.1495 7.7235 7.7235 k = 0.0000 0.0000 1.0312 ( 17014 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9855 -20.9855 -20.9795 -20.9795 -11.0733 -11.0733 -11.0610 -11.0610 -10.7412 -10.7412 -10.7349 -10.7349 -5.5968 -5.5968 -5.4849 -5.4849 -4.6782 -4.6782 -4.5953 -4.5953 -4.3153 -4.3153 -4.3058 -4.3058 0.0514 0.0514 0.2425 0.2425 0.3092 0.3092 0.4614 0.4614 0.9777 0.9777 1.0248 1.0248 1.1679 1.1679 1.1891 1.1891 1.8526 1.8526 2.0506 2.0506 2.2244 2.2244 2.2871 2.2871 3.1077 3.1077 3.1786 3.1786 3.3081 3.3081 3.3404 3.3404 3.4381 3.4381 4.9389 4.9389 7.1595 7.1595 7.7138 7.7138 k = 0.0000 0.0000 1.0583 ( 17022 PWs) bands (ev): -67.9902 -67.9902 -40.0845 -40.0845 -39.1260 -39.1260 -39.0983 -39.0983 -20.9850 -20.9850 -20.9791 -20.9791 -11.0782 -11.0782 -11.0672 -11.0672 -10.7475 -10.7475 -10.7402 -10.7402 -5.5881 -5.5881 -5.4823 -5.4823 -4.6523 -4.6523 -4.5820 -4.5820 -4.2898 -4.2898 -4.2798 -4.2798 0.0396 0.0396 0.2289 0.2289 0.3090 0.3090 0.4605 0.4605 0.9410 0.9410 0.9940 0.9940 1.1383 1.1383 1.1563 1.1563 1.8481 1.8481 2.0462 2.0462 2.2344 2.2344 2.3017 2.3017 3.1062 3.1062 3.1792 3.1792 3.3060 3.3060 3.3390 3.3390 3.4401 3.4401 4.9465 4.9465 7.1698 7.1698 7.7055 7.7055 k = 0.0000 0.0000 1.0854 ( 17042 PWs) bands (ev): -67.9907 -67.9907 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9846 -20.9846 -20.9787 -20.9787 -11.0823 -11.0823 -11.0723 -11.0723 -10.7527 -10.7527 -10.7446 -10.7446 -5.5810 -5.5810 -5.4803 -5.4803 -4.6298 -4.6298 -4.5720 -4.5720 -4.2685 -4.2685 -4.2581 -4.2581 0.0296 0.0296 0.2175 0.2175 0.3099 0.3099 0.4600 0.4600 0.9101 0.9101 0.9684 0.9684 1.1138 1.1138 1.1287 1.1287 1.8444 1.8444 2.0425 2.0425 2.2427 2.2427 2.3139 2.3139 3.1050 3.1050 3.1795 3.1795 3.3029 3.3029 3.3373 3.3373 3.4410 3.4410 4.9526 4.9526 7.1796 7.1796 7.6985 7.6985 k = 0.0000 0.0000 1.1126 ( 17026 PWs) bands (ev): -67.9903 -67.9903 -40.0846 -40.0846 -39.1260 -39.1260 -39.0983 -39.0983 -20.9843 -20.9843 -20.9784 -20.9784 -11.0854 -11.0854 -11.0763 -11.0763 -10.7567 -10.7567 -10.7480 -10.7480 -5.5754 -5.5754 -5.4789 -5.4789 -4.6108 -4.6108 -4.5651 -4.5651 -4.2517 -4.2517 -4.2409 -4.2409 0.0216 0.0216 0.2084 0.2084 0.3111 0.3111 0.4598 0.4598 0.8855 0.8855 0.9483 0.9483 1.0945 1.0945 1.1067 1.1067 1.8416 1.8416 2.0398 2.0398 2.2494 2.2494 2.3237 2.3237 3.1052 3.1052 3.1807 3.1807 3.3012 3.3012 3.3379 3.3379 3.4436 3.4436 4.9574 4.9574 7.1882 7.1882 7.6931 7.6931 k = 0.0000 0.0000 1.1397 ( 17030 PWs) bands (ev): -67.9904 -67.9904 -40.0846 -40.0846 -39.1260 -39.1260 -39.0984 -39.0984 -20.9840 -20.9840 -20.9782 -20.9782 -11.0877 -11.0877 -11.0792 -11.0792 -10.7596 -10.7596 -10.7505 -10.7505 -5.5714 -5.5714 -5.4780 -5.4780 -4.5958 -4.5958 -4.5613 -4.5613 -4.2396 -4.2396 -4.2285 -4.2285 0.0159 0.0159 0.2018 0.2018 0.3123 0.3123 0.4598 0.4598 0.8677 0.8677 0.9339 0.9339 1.0805 1.0805 1.0907 1.0907 1.8395 1.8395 2.0378 2.0378 2.2542 2.2542 2.3308 2.3308 3.1050 3.1050 3.1812 3.1812 3.2994 3.2994 3.3375 3.3375 3.4443 3.4443 4.9607 4.9607 7.1949 7.1949 7.6892 7.6892 k = 0.0000 0.0000 1.1668 ( 17034 PWs) bands (ev): -67.9905 -67.9905 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9839 -20.9839 -20.9781 -20.9781 -11.0890 -11.0890 -11.0809 -11.0809 -10.7614 -10.7614 -10.7519 -10.7519 -5.5689 -5.5689 -5.4775 -5.4775 -4.5857 -4.5857 -4.5602 -4.5602 -4.2323 -4.2323 -4.2211 -4.2211 0.0124 0.0124 0.1978 0.1978 0.3132 0.3132 0.4598 0.4598 0.8568 0.8568 0.9252 0.9252 1.0722 1.0722 1.0810 1.0810 1.8383 1.8383 2.0366 2.0366 2.2570 2.2570 2.3351 2.3351 3.1046 3.1046 3.1807 3.1807 3.2983 3.2983 3.3371 3.3371 3.4454 3.4454 4.9626 4.9626 7.1991 7.1991 7.6868 7.6868 k = 0.0000 0.0000 1.1940 ( 17036 PWs) bands (ev): -67.9905 -67.9905 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0895 -11.0895 -11.0815 -11.0815 -10.7620 -10.7620 -10.7524 -10.7524 -5.5681 -5.5681 -5.4774 -5.4774 -4.5819 -4.5819 -4.5602 -4.5602 -4.2299 -4.2299 -4.2186 -4.2186 0.0112 0.0112 0.1965 0.1965 0.3135 0.3135 0.4598 0.4598 0.8532 0.8532 0.9222 0.9222 1.0694 1.0694 1.0778 1.0778 1.8379 1.8379 2.0363 2.0363 2.2579 2.2579 2.3365 2.3365 3.1047 3.1047 3.1806 3.1806 3.2981 3.2981 3.3362 3.3362 3.4460 3.4460 4.9632 4.9632 7.2006 7.2006 7.6860 7.6860 k = 0.0000 0.0000 1.1940 ( 17036 PWs) bands (ev): -67.9905 -67.9905 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0895 -11.0895 -11.0815 -11.0815 -10.7620 -10.7620 -10.7524 -10.7524 -5.5681 -5.5681 -5.4774 -5.4774 -4.5819 -4.5819 -4.5602 -4.5602 -4.2299 -4.2299 -4.2186 -4.2186 0.0112 0.0112 0.1965 0.1965 0.3135 0.3135 0.4598 0.4598 0.8532 0.8532 0.9222 0.9222 1.0694 1.0694 1.0778 1.0778 1.8379 1.8379 2.0363 2.0363 2.2579 2.2579 2.3365 2.3365 3.1047 3.1047 3.1806 3.1806 3.2981 3.2981 3.3362 3.3362 3.4460 3.4460 4.9632 4.9632 7.2006 7.2006 7.6860 7.6860 k =-0.0106 0.0231 1.1940 ( 17024 PWs) bands (ev): -67.9903 -67.9903 -40.0845 -40.0845 -39.1260 -39.1260 -39.0983 -39.0983 -20.9839 -20.9839 -20.9781 -20.9781 -11.0890 -11.0890 -11.0811 -11.0811 -10.7615 -10.7615 -10.7519 -10.7519 -5.5687 -5.5687 -5.4776 -5.4776 -4.5852 -4.5852 -4.5602 -4.5602 -4.2321 -4.2321 -4.2207 -4.2207 0.0125 0.0125 0.1977 0.1977 0.3134 0.3134 0.4594 0.4594 0.8557 0.8557 0.9254 0.9254 1.0722 1.0722 1.0802 1.0802 1.8377 1.8377 2.0366 2.0366 2.2572 2.2572 2.3355 2.3355 3.1056 3.1056 3.1816 3.1816 3.2981 3.2981 3.3373 3.3373 3.4457 3.4457 4.9635 4.9635 7.2017 7.2017 7.6847 7.6847 k =-0.0213 0.0461 1.1940 ( 17016 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1260 -39.1260 -39.0983 -39.0983 -20.9840 -20.9840 -20.9782 -20.9782 -11.0875 -11.0875 -11.0799 -11.0799 -10.7603 -10.7603 -10.7504 -10.7504 -5.5706 -5.5706 -5.4783 -5.4783 -4.5942 -4.5942 -4.5611 -4.5611 -4.2387 -4.2387 -4.2270 -4.2270 0.0165 0.0165 0.2013 0.2013 0.3134 0.3134 0.4583 0.4583 0.8629 0.8629 0.9350 0.9350 1.0806 1.0806 1.0877 1.0877 1.8371 1.8371 2.0375 2.0375 2.2546 2.2546 2.3324 2.3324 3.1058 3.1058 3.1823 3.1823 3.2982 3.2982 3.3371 3.3371 3.4464 3.4464 4.9642 4.9642 7.2050 7.2050 7.6807 7.6807 k =-0.0319 0.0692 1.1940 ( 17026 PWs) bands (ev): -67.9903 -67.9903 -40.0846 -40.0846 -39.1260 -39.1260 -39.0983 -39.0983 -20.9841 -20.9841 -20.9785 -20.9785 -11.0850 -11.0850 -11.0779 -11.0779 -10.7581 -10.7581 -10.7479 -10.7479 -5.5738 -5.5738 -5.4795 -5.4795 -4.6075 -4.6075 -4.5642 -4.5642 -4.2497 -4.2497 -4.2375 -4.2375 0.0231 0.0231 0.2073 0.2073 0.3134 0.3134 0.4565 0.4565 0.8750 0.8750 0.9506 0.9506 1.0945 1.0945 1.1000 1.1000 1.8361 1.8361 2.0391 2.0391 2.2504 2.2504 2.3272 2.3272 3.1053 3.1053 3.1819 3.1819 3.2975 3.2975 3.3356 3.3356 3.4469 3.4469 4.9651 4.9651 7.2105 7.2105 7.6743 7.6743 k =-0.0425 0.0922 1.1940 ( 17022 PWs) bands (ev): -67.9902 -67.9902 -40.0845 -40.0845 -39.1260 -39.1260 -39.0983 -39.0983 -20.9844 -20.9844 -20.9787 -20.9787 -11.0815 -11.0815 -11.0750 -11.0750 -10.7552 -10.7552 -10.7443 -10.7443 -5.5782 -5.5782 -5.4811 -5.4811 -4.6244 -4.6244 -4.5700 -4.5700 -4.2649 -4.2649 -4.2521 -4.2521 0.0323 0.0323 0.2156 0.2156 0.3135 0.3135 0.4543 0.4543 0.8916 0.8916 0.9721 0.9721 1.1136 1.1136 1.1171 1.1171 1.8348 1.8348 2.0412 2.0412 2.2446 2.2446 2.3202 2.3202 3.1060 3.1060 3.1819 3.1819 3.2972 3.2972 3.3348 3.3348 3.4475 3.4475 4.9665 4.9665 7.2182 7.2182 7.6658 7.6658 k =-0.0532 0.1153 1.1940 ( 17008 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9847 -20.9847 -20.9791 -20.9791 -11.0770 -11.0770 -11.0714 -11.0714 -10.7514 -10.7514 -10.7398 -10.7398 -5.5838 -5.5838 -5.4834 -5.4834 -4.6445 -4.6445 -4.5786 -4.5786 -4.2843 -4.2843 -4.2706 -4.2706 0.0440 0.0440 0.2261 0.2261 0.3140 0.3140 0.4519 0.4519 0.9128 0.9128 0.9992 0.9992 1.1377 1.1377 1.1391 1.1391 1.8332 1.8332 2.0439 2.0439 2.2371 2.2371 2.3114 2.3114 3.1077 3.1077 3.1818 3.1818 3.2979 3.2979 3.3338 3.3338 3.4488 3.4488 4.9682 4.9682 7.2279 7.2279 7.6557 7.6557 k =-0.0532 0.1153 1.1940 ( 17008 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9847 -20.9847 -20.9791 -20.9791 -11.0770 -11.0770 -11.0714 -11.0714 -10.7514 -10.7514 -10.7398 -10.7398 -5.5838 -5.5838 -5.4834 -5.4834 -4.6445 -4.6445 -4.5786 -4.5786 -4.2843 -4.2843 -4.2706 -4.2706 0.0440 0.0440 0.2261 0.2261 0.3140 0.3140 0.4519 0.4519 0.9128 0.9128 0.9992 0.9992 1.1377 1.1377 1.1391 1.1391 1.8332 1.8332 2.0439 2.0439 2.2371 2.2371 2.3114 2.3114 3.1077 3.1077 3.1818 3.1818 3.2979 3.2979 3.3338 3.3338 3.4488 3.4488 4.9682 4.9682 7.2279 7.2279 7.6557 7.6557 k =-0.0611 0.1326 1.1749 ( 17020 PWs) bands (ev): -67.9902 -67.9902 -40.0845 -40.0845 -39.1260 -39.1260 -39.0983 -39.0983 -20.9850 -20.9850 -20.9795 -20.9795 -11.0729 -11.0729 -11.0680 -11.0680 -10.7477 -10.7477 -10.7354 -10.7354 -5.5894 -5.5894 -5.4856 -5.4856 -4.6636 -4.6636 -4.5877 -4.5877 -4.3018 -4.3018 -4.2872 -4.2872 0.0550 0.0550 0.2360 0.2360 0.3146 0.3146 0.4502 0.4502 0.9308 0.9308 1.0203 1.0203 1.1624 1.1624 1.1634 1.1634 1.8323 1.8323 2.0463 2.0463 2.2300 2.2300 2.3030 2.3030 3.1073 3.1073 3.1813 3.1813 3.2969 3.2969 3.3318 3.3318 3.4494 3.4494 4.9692 4.9692 7.2349 7.2349 7.6489 7.6489 k =-0.0691 0.1499 1.1559 ( 17014 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9854 -20.9854 -20.9799 -20.9799 -11.0680 -11.0680 -11.0638 -11.0638 -10.7428 -10.7428 -10.7300 -10.7300 -5.5965 -5.5965 -5.4884 -5.4884 -4.6888 -4.6888 -4.6004 -4.6004 -4.3219 -4.3219 -4.3054 -4.3054 0.0685 0.0685 0.2482 0.2482 0.3159 0.3159 0.4489 0.4489 0.9480 0.9480 1.0365 1.0365 1.1972 1.1972 1.2026 1.2026 1.8320 1.8320 2.0495 2.0495 2.2212 2.2212 2.2924 2.2924 3.1074 3.1074 3.1813 3.1813 3.2968 3.2968 3.3314 3.3314 3.4504 3.4504 4.9700 4.9700 7.2390 7.2390 7.6460 7.6460 k =-0.0771 0.1672 1.1368 ( 17015 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9858 -20.9858 -20.9804 -20.9804 -11.0624 -11.0624 -11.0588 -11.0588 -10.7367 -10.7367 -10.7233 -10.7233 -5.6054 -5.6054 -5.4921 -5.4921 -4.7203 -4.7203 -4.6176 -4.6176 -4.3433 -4.3433 -4.3235 -4.3235 0.0844 0.0844 0.2623 0.2623 0.3181 0.3181 0.4483 0.4483 0.9625 0.9625 1.0470 1.0470 1.2427 1.2427 1.2566 1.2566 1.8328 1.8328 2.0532 2.0532 2.2104 2.2104 2.2797 2.2797 3.1079 3.1079 3.1809 3.1809 3.2967 3.2967 3.3301 3.3301 3.4507 3.4507 4.9703 4.9703 7.2386 7.2386 7.6491 7.6491 k =-0.0851 0.1845 1.1178 ( 17019 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9863 -20.9863 -20.9809 -20.9809 -11.0563 -11.0563 -11.0533 -11.0533 -10.7293 -10.7293 -10.7153 -10.7153 -5.6162 -5.6162 -5.4967 -5.4967 -4.7582 -4.7582 -4.6401 -4.6401 -4.3646 -4.3646 -4.3405 -4.3405 0.1025 0.1025 0.2776 0.2776 0.3221 0.3221 0.4484 0.4484 0.9737 0.9737 1.0533 1.0533 1.2981 1.2981 1.3225 1.3225 1.8351 1.8351 2.0574 2.0574 2.1978 2.1978 2.2652 2.2652 3.1083 3.1083 3.1804 3.1804 3.2965 3.2965 3.3285 3.3285 3.4509 3.4509 4.9703 4.9703 7.2328 7.2328 7.6597 7.6597 k =-0.0931 0.2018 1.0987 ( 17028 PWs) bands (ev): -67.9904 -67.9904 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9869 -20.9869 -20.9816 -20.9816 -11.0499 -11.0499 -11.0473 -11.0473 -10.7205 -10.7205 -10.7060 -10.7060 -5.6289 -5.6289 -5.5025 -5.5025 -4.8019 -4.8019 -4.6683 -4.6683 -4.3843 -4.3843 -4.3557 -4.3557 0.1228 0.1228 0.2929 0.2929 0.3291 0.3291 0.4492 0.4492 0.9820 0.9820 1.0570 1.0570 1.3612 1.3612 1.3975 1.3975 1.8398 1.8398 2.0621 2.0621 2.1835 2.1835 2.2492 2.2492 3.1087 3.1087 3.1791 3.1791 3.2967 3.2967 3.3266 3.3266 3.4507 3.4507 4.9701 4.9701 7.2213 7.2213 7.6785 7.6785 k =-0.1010 0.2191 1.0797 ( 17032 PWs) bands (ev): -67.9904 -67.9904 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9875 -20.9875 -20.9823 -20.9823 -11.0432 -11.0432 -11.0411 -11.0411 -10.7104 -10.7104 -10.6953 -10.6953 -5.6436 -5.6436 -5.5098 -5.5098 -4.8507 -4.8507 -4.7021 -4.7021 -4.4016 -4.4016 -4.3689 -4.3689 0.1451 0.1451 0.3057 0.3057 0.3415 0.3415 0.4509 0.4509 0.9881 0.9881 1.0593 1.0593 1.4287 1.4287 1.4793 1.4793 1.8482 1.8482 2.0672 2.0672 2.1677 2.1677 2.2322 2.2322 3.1095 3.1095 3.1785 3.1785 3.2971 3.2971 3.3248 3.3248 3.4503 3.4503 4.9696 4.9696 7.2046 7.2046 7.7055 7.7055 k =-0.1090 0.2364 1.0606 ( 17029 PWs) bands (ev): -67.9904 -67.9904 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9882 -20.9882 -20.9830 -20.9830 -11.0366 -11.0366 -11.0347 -11.0347 -10.6987 -10.6987 -10.6833 -10.6833 -5.6607 -5.6607 -5.5190 -5.5190 -4.9031 -4.9031 -4.7406 -4.7406 -4.4161 -4.4161 -4.3802 -4.3802 0.1691 0.1691 0.3152 0.3152 0.3603 0.3603 0.4533 0.4533 0.9925 0.9925 1.0606 1.0606 1.4965 1.4965 1.5656 1.5656 1.8623 1.8623 2.0727 2.0727 2.1507 2.1507 2.2151 2.2151 3.1104 3.1104 3.1777 3.1777 3.2976 3.2976 3.3238 3.3238 3.4504 3.4504 4.9690 4.9690 7.1835 7.1835 7.7400 7.7400 k =-0.1170 0.2537 1.0415 ( 17034 PWs) bands (ev): -67.9905 -67.9905 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9890 -20.9890 -20.9838 -20.9838 -11.0301 -11.0301 -11.0283 -11.0283 -10.6856 -10.6856 -10.6698 -10.6698 -5.6802 -5.6802 -5.5307 -5.5307 -4.9577 -4.9577 -4.7827 -4.7827 -4.4281 -4.4281 -4.3899 -4.3899 0.1944 0.1944 0.3234 0.3234 0.3835 0.3835 0.4566 0.4566 0.9958 0.9958 1.0614 1.0614 1.5594 1.5594 1.6537 1.6537 1.8852 1.8852 2.0786 2.0786 2.1334 2.1334 2.1991 2.1991 3.1104 3.1104 3.1766 3.1766 3.2980 3.2980 3.3230 3.3230 3.4498 3.4498 4.9683 4.9683 7.1592 7.1592 7.7812 7.7812 k =-0.1250 0.2710 1.0225 ( 17022 PWs) bands (ev): -67.9902 -67.9902 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9897 -20.9897 -20.9846 -20.9846 -11.0238 -11.0238 -11.0220 -11.0220 -10.6711 -10.6711 -10.6549 -10.6549 -5.7023 -5.7023 -5.5455 -5.5455 -5.0127 -5.0127 -4.8269 -4.8269 -4.4378 -4.4378 -4.3981 -4.3981 0.2202 0.2202 0.3321 0.3321 0.4095 0.4095 0.4610 0.4610 0.9984 0.9984 1.0619 1.0619 1.6114 1.6114 1.7398 1.7398 1.9188 1.9188 2.0856 2.0856 2.1179 2.1179 2.1868 2.1868 3.1118 3.1118 3.1758 3.1758 3.2992 3.2992 3.3235 3.3235 3.4490 3.4490 4.9675 4.9675 7.1328 7.1328 7.8280 7.8280 k =-0.1330 0.2883 1.0034 ( 17026 PWs) bands (ev): -67.9903 -67.9903 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9905 -20.9905 -20.9854 -20.9854 -11.0178 -11.0178 -11.0160 -11.0160 -10.6551 -10.6551 -10.6387 -10.6387 -5.7271 -5.7271 -5.5643 -5.5643 -5.0663 -5.0663 -4.8718 -4.8718 -4.4458 -4.4458 -4.4051 -4.4051 0.2454 0.2454 0.3432 0.3432 0.4364 0.4364 0.4675 0.4675 1.0004 1.0004 1.0621 1.0621 1.6490 1.6490 1.8174 1.8174 1.9579 1.9579 2.0966 2.0966 2.1099 2.1099 2.1828 2.1828 3.1124 3.1124 3.1744 3.1744 3.2992 3.2992 3.3235 3.3235 3.4479 3.4479 4.9667 4.9667 7.1050 7.1050 7.8796 7.8796 k =-0.1409 0.3056 0.9844 ( 17026 PWs) bands (ev): -67.9903 -67.9903 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9914 -20.9914 -20.9863 -20.9863 -11.0122 -11.0122 -11.0104 -11.0104 -10.6378 -10.6378 -10.6213 -10.6213 -5.7546 -5.7546 -5.5879 -5.5879 -5.1167 -5.1167 -4.9162 -4.9162 -4.4525 -4.4525 -4.4112 -4.4112 0.2679 0.2679 0.3585 0.3585 0.4580 0.4580 0.4820 0.4820 1.0021 1.0021 1.0622 1.0622 1.6731 1.6731 1.8753 1.8753 1.9821 1.9821 2.1063 2.1063 2.1348 2.1348 2.1953 2.1953 3.1131 3.1131 3.1733 3.1733 3.2991 3.2991 3.3243 3.3243 3.4465 3.4465 4.9659 4.9659 7.0767 7.0767 7.9353 7.9353 k =-0.1489 0.3229 0.9653 ( 17014 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9922 -20.9922 -20.9871 -20.9871 -11.0070 -11.0070 -11.0052 -11.0052 -10.6194 -10.6194 -10.6028 -10.6028 -5.7849 -5.7849 -5.6172 -5.6172 -5.1623 -5.1623 -4.9591 -4.9591 -4.4580 -4.4580 -4.4164 -4.4164 0.2860 0.2860 0.3797 0.3797 0.4687 0.4687 0.5098 0.5098 1.0036 1.0036 1.0622 1.0622 1.6869 1.6869 1.9033 1.9033 1.9789 1.9789 2.1160 2.1160 2.1983 2.1983 2.2350 2.2350 3.1150 3.1150 3.1728 3.1728 3.2990 3.2990 3.3258 3.3258 3.4453 3.4453 4.9651 4.9651 7.0483 7.0483 7.9943 7.9943 k =-0.1569 0.3402 0.9463 ( 17015 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9930 -20.9930 -20.9880 -20.9880 -11.0022 -11.0022 -11.0004 -11.0004 -10.6000 -10.6000 -10.5834 -10.5834 -5.8178 -5.8178 -5.6524 -5.6524 -5.2018 -5.2018 -4.9995 -4.9995 -4.4628 -4.4628 -4.4210 -4.4210 0.2993 0.2993 0.4066 0.4066 0.4765 0.4765 0.5431 0.5431 1.0051 1.0051 1.0624 1.0624 1.6934 1.6934 1.9038 1.9038 1.9605 1.9605 2.1253 2.1253 2.2810 2.2810 2.3018 2.3018 3.1162 3.1162 3.1713 3.1713 3.2986 3.2986 3.3271 3.3271 3.4434 3.4434 4.9644 4.9644 7.0204 7.0204 8.0560 8.0560 k =-0.1649 0.3575 0.9272 ( 17015 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9938 -20.9938 -20.9889 -20.9889 -10.9979 -10.9979 -10.9961 -10.9961 -10.5798 -10.5798 -10.5633 -10.5633 -5.8528 -5.8528 -5.6933 -5.6933 -5.2348 -5.2348 -5.0370 -5.0370 -4.4669 -4.4669 -4.4251 -4.4251 0.3089 0.3089 0.4364 0.4364 0.4858 0.4858 0.5788 0.5788 1.0065 1.0065 1.0626 1.0626 1.6945 1.6945 1.8871 1.8871 1.9366 1.9366 2.1336 2.1336 2.3714 2.3714 2.3846 2.3846 3.1174 3.1174 3.1703 3.1703 3.2973 3.2973 3.3289 3.3289 3.4420 3.4420 4.9637 4.9637 6.9932 6.9932 8.1198 8.1198 k =-0.1729 0.3748 0.9082 ( 17013 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -20.9947 -20.9947 -20.9897 -20.9897 -10.9940 -10.9940 -10.9922 -10.9922 -10.5592 -10.5592 -10.5427 -10.5427 -5.8896 -5.8896 -5.7389 -5.7389 -5.2615 -5.2615 -5.0712 -5.0712 -4.4704 -4.4704 -4.4287 -4.4287 0.3160 0.3160 0.4625 0.4625 0.5023 0.5023 0.6161 0.6161 1.0081 1.0081 1.0630 1.0630 1.6906 1.6906 1.8607 1.8607 1.9112 1.9112 2.1412 2.1412 2.4639 2.4639 2.4742 2.4742 3.1193 3.1193 3.1694 3.1694 3.2964 3.2964 3.3310 3.3310 3.4396 3.4396 4.9631 4.9631 6.9669 6.9669 8.1851 8.1851 k =-0.1808 0.3921 0.8891 ( 16999 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -20.9955 -20.9955 -20.9905 -20.9905 -10.9905 -10.9905 -10.9888 -10.9888 -10.5383 -10.5383 -10.5220 -10.5220 -5.9276 -5.9276 -5.7878 -5.7878 -5.2826 -5.2826 -5.1020 -5.1020 -4.4736 -4.4736 -4.4318 -4.4318 0.3217 0.3217 0.4775 0.4775 0.5325 0.5325 0.6545 0.6545 1.0098 1.0098 1.0638 1.0638 1.6814 1.6814 1.8286 1.8286 1.8868 1.8868 2.1487 2.1487 2.5555 2.5555 2.5658 2.5658 3.1214 3.1214 3.1687 3.1687 3.2962 3.2962 3.3346 3.3346 3.4378 3.4378 4.9626 4.9626 6.9420 6.9420 8.2511 8.2511 k =-0.1888 0.4094 0.8701 ( 17000 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -20.9962 -20.9962 -20.9913 -20.9913 -10.9875 -10.9875 -10.9859 -10.9859 -10.5175 -10.5175 -10.5013 -10.5013 -5.9660 -5.9660 -5.8386 -5.8386 -5.2992 -5.2992 -5.1294 -5.1294 -4.4763 -4.4763 -4.4347 -4.4347 0.3263 0.3263 0.4859 0.4859 0.5709 0.5709 0.6938 0.6938 1.0119 1.0119 1.0650 1.0650 1.6659 1.6659 1.7927 1.7927 1.8652 1.8652 2.1559 2.1559 2.6443 2.6443 2.6562 2.6562 3.1233 3.1233 3.1677 3.1677 3.2955 3.2955 3.3373 3.3373 3.4350 3.4350 4.9621 4.9621 6.9184 6.9184 8.3171 8.3171 k =-0.1968 0.4267 0.8510 ( 16998 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9969 -20.9969 -20.9921 -20.9921 -10.9848 -10.9848 -10.9833 -10.9833 -10.4970 -10.4970 -10.4811 -10.4811 -6.0041 -6.0041 -5.8896 -5.8896 -5.3121 -5.3121 -5.1536 -5.1536 -4.4788 -4.4788 -4.4372 -4.4372 0.3301 0.3301 0.4920 0.4920 0.6126 0.6126 0.7335 0.7335 1.0146 1.0146 1.0670 1.0670 1.6437 1.6437 1.7542 1.7542 1.8477 1.8477 2.1628 2.1628 2.7288 2.7288 2.7432 2.7432 3.1262 3.1262 3.1670 3.1670 3.2948 3.2948 3.3402 3.3402 3.4323 3.4323 4.9618 4.9618 6.8965 6.8965 8.3824 8.3824 k =-0.2048 0.4440 0.8320 ( 16996 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9976 -20.9976 -20.9928 -20.9928 -10.9825 -10.9825 -10.9810 -10.9810 -10.4772 -10.4772 -10.4615 -10.4615 -6.0410 -6.0410 -5.9395 -5.9395 -5.3221 -5.3221 -5.1746 -5.1746 -4.4809 -4.4809 -4.4394 -4.4394 0.3334 0.3334 0.4972 0.4972 0.6558 0.6558 0.7733 0.7733 1.0180 1.0180 1.0699 1.0699 1.6148 1.6148 1.7138 1.7138 1.8347 1.8347 2.1694 2.1694 2.8076 2.8076 2.8255 2.8255 3.1305 3.1305 3.1665 3.1665 3.2935 3.2935 3.3439 3.3439 3.4291 3.4291 4.9615 4.9615 6.8763 6.8763 8.4462 8.4462 k =-0.2127 0.4613 0.8129 ( 16982 PWs) bands (ev): -67.9894 -67.9894 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -20.9983 -20.9983 -20.9934 -20.9934 -10.9805 -10.9805 -10.9791 -10.9791 -10.4585 -10.4585 -10.4430 -10.4430 -6.0760 -6.0760 -5.9872 -5.9872 -5.3299 -5.3299 -5.1928 -5.1928 -4.4828 -4.4828 -4.4413 -4.4413 0.3362 0.3362 0.5018 0.5018 0.6993 0.6993 0.8123 0.8123 1.0226 1.0226 1.0742 1.0742 1.5800 1.5800 1.6720 1.6720 1.8257 1.8257 2.1755 2.1755 2.8789 2.8789 2.9018 2.9018 3.1367 3.1367 3.1670 3.1670 3.2933 3.2933 3.3480 3.3480 3.4259 3.4259 4.9613 4.9613 6.8578 6.8578 8.5074 8.5074 k =-0.2207 0.4786 0.7938 ( 16992 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -20.9988 -20.9988 -20.9940 -20.9940 -10.9788 -10.9788 -10.9775 -10.9775 -10.4410 -10.4410 -10.4258 -10.4258 -6.1083 -6.1083 -6.0318 -6.0318 -5.3360 -5.3360 -5.2083 -5.2083 -4.4844 -4.4844 -4.4430 -4.4430 0.3385 0.3385 0.5058 0.5058 0.7422 0.7422 0.8498 0.8498 1.0289 1.0289 1.0808 1.0808 1.5407 1.5407 1.6292 1.6292 1.8196 1.8196 2.1811 2.1811 2.9405 2.9405 2.9712 2.9712 3.1445 3.1445 3.1668 3.1668 3.2921 3.2921 3.3509 3.3509 3.4221 3.4221 4.9612 4.9612 6.8413 6.8413 8.5650 8.5650 k =-0.2287 0.4959 0.7748 ( 17000 PWs) bands (ev): -67.9898 -67.9898 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9993 -20.9993 -20.9945 -20.9945 -10.9774 -10.9774 -10.9761 -10.9761 -10.4252 -10.4252 -10.4102 -10.4102 -6.1372 -6.1372 -6.0726 -6.0726 -5.3406 -5.3406 -5.2214 -5.2214 -4.4858 -4.4858 -4.4445 -4.4445 0.3405 0.3405 0.5093 0.5093 0.7831 0.7831 0.8843 0.8843 1.0379 1.0379 1.0904 1.0904 1.4980 1.4980 1.5859 1.5859 1.8157 1.8157 2.1861 2.1861 2.9900 2.9900 3.0326 3.0326 3.1536 3.1536 3.1697 3.1697 3.2908 3.2908 3.3546 3.3546 3.4187 3.4187 4.9610 4.9610 6.8269 6.8269 8.6181 8.6181 k =-0.2367 0.5133 0.7557 ( 17002 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -20.9998 -20.9998 -20.9950 -20.9950 -10.9762 -10.9762 -10.9750 -10.9750 -10.4113 -10.4113 -10.3965 -10.3965 -6.1621 -6.1621 -6.1087 -6.1087 -5.3441 -5.3441 -5.2323 -5.2323 -4.4870 -4.4870 -4.4457 -4.4457 0.3421 0.3421 0.5123 0.5123 0.8205 0.8205 0.9144 0.9144 1.0508 1.0508 1.1044 1.1044 1.4529 1.4529 1.5427 1.5427 1.8132 1.8132 2.1905 2.1905 3.0261 3.0261 3.0853 3.0853 3.1599 3.1599 3.1812 3.1812 3.2903 3.2903 3.3585 3.3585 3.4155 3.4155 4.9609 4.9609 6.8145 6.8145 8.6655 8.6655 k =-0.2447 0.5306 0.7367 ( 16993 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0001 -21.0001 -20.9954 -20.9954 -10.9753 -10.9753 -10.9741 -10.9741 -10.3995 -10.3995 -10.3849 -10.3849 -6.1824 -6.1824 -6.1398 -6.1398 -5.3467 -5.3467 -5.2410 -5.2410 -4.4879 -4.4879 -4.4467 -4.4467 0.3434 0.3434 0.5148 0.5148 0.8523 0.8523 0.9385 0.9385 1.0693 1.0693 1.1235 1.1235 1.4063 1.4063 1.5001 1.5001 1.8117 1.8117 2.1942 2.1942 3.0493 3.0493 3.1284 3.1284 3.1621 3.1621 3.2015 3.2015 3.2904 3.2904 3.3636 3.3636 3.4130 3.4130 4.9609 4.9609 6.8043 6.8043 8.7061 8.7061 k =-0.2526 0.5479 0.7176 ( 16993 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0004 -21.0004 -20.9956 -20.9956 -10.9746 -10.9746 -10.9735 -10.9735 -10.3901 -10.3901 -10.3757 -10.3757 -6.1976 -6.1976 -6.1655 -6.1655 -5.3486 -5.3486 -5.2476 -5.2476 -4.4887 -4.4887 -4.4474 -4.4474 0.3444 0.3444 0.5168 0.5168 0.8769 0.8769 0.9559 0.9559 1.0946 1.0946 1.1472 1.1472 1.3591 1.3591 1.4595 1.4595 1.8108 1.8108 2.1971 2.1971 3.0633 3.0633 3.1563 3.1563 3.1683 3.1683 3.2231 3.2231 3.2901 3.2901 3.3682 3.3682 3.4097 3.4097 4.9609 4.9609 6.7962 6.7962 8.7389 8.7389 k =-0.2606 0.5652 0.6986 ( 16990 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0006 -21.0006 -20.9959 -20.9959 -10.9742 -10.9742 -10.9730 -10.9730 -10.3832 -10.3832 -10.3689 -10.3689 -6.2076 -6.2076 -6.1852 -6.1852 -5.3498 -5.3498 -5.2523 -5.2523 -4.4892 -4.4892 -4.4480 -4.4480 0.3451 0.3451 0.5182 0.5182 0.8937 0.8937 0.9671 0.9671 1.1265 1.1265 1.1726 1.1726 1.3123 1.3123 1.4231 1.4231 1.8103 1.8103 2.1992 2.1992 3.0712 3.0712 3.1599 3.1599 3.1887 3.1887 3.2408 3.2408 3.2905 3.2905 3.3727 3.3727 3.4070 3.4070 4.9609 4.9609 6.7905 6.7905 8.7631 8.7631 k =-0.2686 0.5825 0.6795 ( 16992 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0008 -21.0008 -20.9960 -20.9960 -10.9739 -10.9739 -10.9727 -10.9727 -10.3790 -10.3790 -10.3648 -10.3648 -6.2123 -6.2123 -6.1985 -6.1985 -5.3506 -5.3506 -5.2551 -5.2551 -4.4895 -4.4895 -4.4483 -4.4483 0.3455 0.3455 0.5191 0.5191 0.9032 0.9032 0.9733 0.9733 1.1618 1.1618 1.1942 1.1942 1.2685 1.2685 1.3955 1.3955 1.8101 1.8101 2.2004 2.2004 3.0745 3.0745 3.1603 3.1603 3.2026 3.2026 3.2521 3.2521 3.2901 3.2901 3.3766 3.3766 3.4050 3.4050 4.9608 4.9608 6.7870 6.7870 8.7778 8.7778 k =-0.2766 0.5998 0.6605 ( 17002 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0008 -21.0008 -20.9960 -20.9960 -10.9738 -10.9738 -10.9726 -10.9726 -10.3776 -10.3776 -10.3635 -10.3635 -6.2131 -6.2131 -6.2038 -6.2038 -5.3508 -5.3508 -5.2561 -5.2561 -4.4896 -4.4896 -4.4484 -4.4484 0.3456 0.3456 0.5194 0.5194 0.9062 0.9062 0.9752 0.9752 1.1849 1.1849 1.2032 1.2032 1.2427 1.2427 1.3846 1.3846 1.8100 1.8100 2.2008 2.2008 3.0756 3.0756 3.1599 3.1599 3.2071 3.2071 3.2559 3.2559 3.2898 3.2898 3.3775 3.3775 3.4035 3.4035 4.9608 4.9608 6.7858 6.7858 8.7828 8.7828 k =-0.2766 0.5998 0.6605 ( 17002 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0008 -21.0008 -20.9960 -20.9960 -10.9738 -10.9738 -10.9726 -10.9726 -10.3776 -10.3776 -10.3635 -10.3635 -6.2131 -6.2131 -6.2038 -6.2038 -5.3508 -5.3508 -5.2561 -5.2561 -4.4896 -4.4896 -4.4484 -4.4484 0.3456 0.3456 0.5194 0.5194 0.9062 0.9062 0.9752 0.9752 1.1849 1.1849 1.2032 1.2032 1.2427 1.2427 1.3846 1.3846 1.8100 1.8100 2.2008 2.2008 3.0756 3.0756 3.1599 3.1599 3.2071 3.2071 3.2559 3.2559 3.2898 3.2898 3.3775 3.3775 3.4035 3.4035 4.9608 4.9608 6.7858 6.7858 8.7828 8.7828 k =-0.2684 0.5821 0.6410 ( 16996 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0007 -21.0007 -20.9956 -20.9956 -10.9803 -10.9803 -10.9770 -10.9770 -10.3771 -10.3771 -10.3650 -10.3650 -6.2105 -6.2105 -6.2040 -6.2040 -5.3503 -5.3503 -5.2531 -5.2531 -4.4593 -4.4593 -4.4304 -4.4304 0.3361 0.3361 0.5272 0.5272 0.8812 0.8812 0.9395 0.9395 1.1801 1.1801 1.1977 1.1977 1.2401 1.2401 1.3803 1.3803 1.8168 1.8168 2.1937 2.1937 3.0755 3.0755 3.1589 3.1589 3.2076 3.2076 3.2563 3.2563 3.2935 3.2935 3.3770 3.3770 3.4035 3.4035 4.9500 4.9500 6.7700 6.7700 8.8255 8.8255 k =-0.2603 0.5645 0.6216 ( 16986 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0007 -21.0007 -20.9953 -20.9953 -10.9854 -10.9854 -10.9790 -10.9790 -10.3764 -10.3764 -10.3663 -10.3663 -6.2083 -6.2083 -6.2048 -6.2048 -5.3508 -5.3508 -5.2505 -5.2505 -4.4374 -4.4374 -4.4209 -4.4209 0.3259 0.3259 0.5346 0.5346 0.8660 0.8660 0.9149 0.9149 1.1786 1.1786 1.1936 1.1936 1.2392 1.2392 1.3784 1.3784 1.8248 1.8248 2.1875 2.1875 3.0758 3.0758 3.1586 3.1586 3.2082 3.2082 3.2568 3.2568 3.2978 3.2978 3.3760 3.3760 3.4029 3.4029 4.9361 4.9361 6.7600 6.7600 8.8623 8.8623 k =-0.2522 0.5468 0.6022 ( 16964 PWs) bands (ev): -67.9890 -67.9890 -40.0843 -40.0843 -39.1259 -39.1259 -39.0979 -39.0979 -21.0008 -21.0008 -20.9951 -20.9951 -10.9885 -10.9885 -10.9790 -10.9790 -10.3756 -10.3756 -10.3674 -10.3674 -6.2066 -6.2066 -6.2059 -6.2059 -5.3521 -5.3521 -5.2483 -5.2483 -4.4244 -4.4244 -4.4201 -4.4201 0.3148 0.3148 0.5414 0.5414 0.8618 0.8618 0.9024 0.9024 1.1802 1.1802 1.1908 1.1908 1.2398 1.2398 1.3785 1.3785 1.8336 1.8336 2.1824 2.1824 3.0765 3.0765 3.1581 3.1581 3.2089 3.2089 3.2572 3.2572 3.3030 3.3030 3.3757 3.3757 3.4033 3.4033 4.9190 4.9190 6.7561 6.7561 8.8912 8.8912 k =-0.2440 0.5292 0.5828 ( 16972 PWs) bands (ev): -67.9892 -67.9892 -40.0844 -40.0844 -39.1259 -39.1259 -39.0979 -39.0979 -21.0010 -21.0010 -20.9949 -20.9949 -10.9896 -10.9896 -10.9770 -10.9770 -10.3745 -10.3745 -10.3682 -10.3682 -6.2075 -6.2075 -6.2052 -6.2052 -5.3542 -5.3542 -5.2465 -5.2465 -4.4284 -4.4284 -4.4204 -4.4204 0.3027 0.3027 0.5470 0.5470 0.8691 0.8691 0.9026 0.9026 1.1847 1.1847 1.1893 1.1893 1.2420 1.2420 1.3808 1.3808 1.8430 1.8430 2.1783 2.1783 3.0763 3.0763 3.1554 3.1554 3.2095 3.2095 3.2574 3.2574 3.3071 3.3071 3.3743 3.3743 3.4024 3.4024 4.8985 4.8985 6.7582 6.7582 8.9110 8.9110 k =-0.2359 0.5116 0.5633 ( 16988 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0013 -21.0013 -20.9949 -20.9949 -10.9887 -10.9887 -10.9730 -10.9730 -10.3733 -10.3733 -10.3690 -10.3690 -6.2095 -6.2095 -6.2043 -6.2043 -5.3570 -5.3570 -5.2452 -5.2452 -4.4456 -4.4456 -4.4252 -4.4252 0.2900 0.2900 0.5518 0.5518 0.8879 0.8879 0.9149 0.9149 1.1890 1.1890 1.1923 1.1923 1.2459 1.2459 1.3854 1.3854 1.8528 1.8528 2.1751 2.1751 3.0757 3.0757 3.1527 3.1527 3.2101 3.2101 3.2573 3.2573 3.3112 3.3112 3.3725 3.3725 3.4011 3.4011 4.8750 4.8750 6.7663 6.7663 8.9204 8.9204 k =-0.2278 0.4939 0.5439 ( 16994 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0016 -21.0016 -20.9949 -20.9949 -10.9859 -10.9859 -10.9670 -10.9670 -10.3719 -10.3719 -10.3695 -10.3695 -6.2119 -6.2119 -6.2037 -6.2037 -5.3606 -5.3606 -5.2444 -5.2444 -4.4716 -4.4716 -4.4388 -4.4388 0.2770 0.2770 0.5561 0.5561 0.9169 0.9169 0.9384 0.9384 1.1901 1.1901 1.2029 1.2029 1.2516 1.2516 1.3927 1.3927 1.8628 1.8628 2.1731 2.1731 3.0760 3.0760 3.1496 3.1496 3.2107 3.2107 3.2575 3.2575 3.3162 3.3162 3.3709 3.3709 3.3999 3.3999 4.8487 4.8487 6.7804 6.7804 8.9195 8.9195 k =-0.2196 0.4763 0.5245 ( 17000 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0021 -21.0021 -20.9951 -20.9951 -10.9811 -10.9811 -10.9590 -10.9590 -10.3702 -10.3702 -10.3698 -10.3698 -6.2147 -6.2147 -6.2036 -6.2036 -5.3649 -5.3649 -5.2441 -5.2441 -4.5058 -4.5058 -4.4604 -4.4604 0.2641 0.2641 0.5605 0.5605 0.9541 0.9541 0.9716 0.9716 1.1925 1.1925 1.2170 1.2170 1.2599 1.2599 1.4033 1.4033 1.8730 1.8730 2.1722 2.1722 3.0770 3.0770 3.1464 3.1464 3.2115 3.2115 3.2576 3.2576 3.3208 3.3208 3.3692 3.3692 3.3986 3.3986 4.8198 4.8198 6.8001 6.8001 8.9087 8.9087 k =-0.2115 0.4586 0.5051 ( 16996 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0026 -21.0026 -20.9953 -20.9953 -10.9745 -10.9745 -10.9491 -10.9491 -10.3700 -10.3700 -10.3683 -10.3683 -6.2180 -6.2180 -6.2040 -6.2040 -5.3700 -5.3700 -5.2444 -5.2444 -4.5477 -4.5477 -4.4897 -4.4897 0.2518 0.2518 0.5655 0.5655 0.9965 0.9965 1.0129 1.0129 1.1960 1.1960 1.2340 1.2340 1.2728 1.2728 1.4183 1.4183 1.8833 1.8833 2.1725 2.1725 3.0785 3.0785 3.1433 3.1433 3.2123 3.2123 3.2577 3.2577 3.3258 3.3258 3.3680 3.3680 3.3979 3.3979 4.7884 4.7884 6.8255 6.8255 8.8894 8.8894 k =-0.2034 0.4410 0.4856 ( 16994 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0032 -21.0032 -20.9956 -20.9956 -10.9662 -10.9662 -10.9373 -10.9373 -10.3701 -10.3701 -10.3661 -10.3661 -6.2217 -6.2217 -6.2047 -6.2047 -5.3760 -5.3760 -5.2453 -5.2453 -4.5966 -4.5966 -4.5256 -4.5256 0.2403 0.2403 0.5715 0.5715 1.0406 1.0406 1.0593 1.0593 1.2008 1.2008 1.2514 1.2514 1.2951 1.2951 1.4390 1.4390 1.8937 1.8937 2.1741 2.1741 3.0792 3.0792 3.1397 3.1397 3.2131 3.2131 3.2576 3.2576 3.3313 3.3313 3.3669 3.3669 3.3977 3.3977 4.7550 4.7550 6.8560 6.8560 8.8631 8.8631 k =-0.1952 0.4234 0.4662 ( 17004 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0038 -21.0038 -20.9959 -20.9959 -10.9562 -10.9562 -10.9238 -10.9238 -10.3699 -10.3699 -10.3636 -10.3636 -6.2259 -6.2259 -6.2059 -6.2059 -5.3829 -5.3829 -5.2470 -5.2470 -4.6517 -4.6517 -4.5673 -4.5673 0.2297 0.2297 0.5786 0.5786 1.0834 1.0834 1.1063 1.1063 1.2067 1.2067 1.2663 1.2663 1.3330 1.3330 1.4674 1.4674 1.9041 1.9041 2.1769 2.1769 3.0804 3.0804 3.1355 3.1355 3.2140 3.2140 3.2576 3.2576 3.3365 3.3365 3.3649 3.3649 3.3964 3.3964 4.7198 4.7198 6.8915 6.8915 8.8315 8.8315 k =-0.1871 0.4057 0.4468 ( 17008 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0046 -21.0046 -20.9964 -20.9964 -10.9447 -10.9447 -10.9085 -10.9085 -10.3696 -10.3696 -10.3608 -10.3608 -6.2306 -6.2306 -6.2076 -6.2076 -5.3908 -5.3908 -5.2495 -5.2495 -4.7120 -4.7120 -4.6136 -4.6136 0.2202 0.2202 0.5868 0.5868 1.1224 1.1224 1.1496 1.1496 1.2138 1.2138 1.2795 1.2795 1.3880 1.3880 1.5055 1.5055 1.9145 1.9145 2.1813 2.1813 3.0816 3.0816 3.1313 3.1313 3.2149 3.2149 3.2574 3.2574 3.3420 3.3420 3.3633 3.3633 3.3957 3.3957 4.6832 4.6832 6.9316 6.9316 8.7959 8.7959 k =-0.1790 0.3881 0.4274 ( 17018 PWs) bands (ev): -67.9902 -67.9902 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -21.0054 -21.0054 -20.9969 -20.9969 -10.9317 -10.9317 -10.8917 -10.8917 -10.3691 -10.3691 -10.3576 -10.3576 -6.2358 -6.2358 -6.2099 -6.2099 -5.4001 -5.4001 -5.2531 -5.2531 -4.7765 -4.7765 -4.6634 -4.6634 0.2119 0.2119 0.5961 0.5961 1.1562 1.1562 1.1862 1.1862 1.2227 1.2227 1.2922 1.2922 1.4584 1.4584 1.5546 1.5546 1.9250 1.9250 2.1873 2.1873 3.0837 3.0837 3.1262 3.1262 3.2159 3.2159 3.2573 3.2573 3.3461 3.3461 3.3616 3.3616 3.3949 3.3949 4.6454 4.6454 6.9761 6.9761 8.7578 8.7578 k =-0.1708 0.3704 0.4079 ( 17002 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0062 -21.0062 -20.9974 -20.9974 -10.9176 -10.9176 -10.8734 -10.8734 -10.3683 -10.3683 -10.3539 -10.3539 -6.2416 -6.2416 -6.2126 -6.2126 -5.4107 -5.4107 -5.2580 -5.2580 -4.8442 -4.8442 -4.7154 -4.7154 0.2046 0.2046 0.6064 0.6064 1.1853 1.1853 1.2140 1.2140 1.2347 1.2347 1.3053 1.3053 1.5410 1.5410 1.6147 1.6147 1.9361 1.9361 2.1955 2.1955 3.0865 3.0865 3.1219 3.1219 3.2170 3.2170 3.2573 3.2573 3.3523 3.3523 3.3607 3.3607 3.3955 3.3955 4.6068 4.6068 7.0246 7.0246 8.7181 8.7181 k =-0.1627 0.3528 0.3885 ( 16998 PWs) bands (ev): -67.9898 -67.9898 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0071 -21.0071 -20.9980 -20.9980 -10.9024 -10.9024 -10.8538 -10.8538 -10.3674 -10.3674 -10.3497 -10.3497 -6.2480 -6.2480 -6.2160 -6.2160 -5.4232 -5.4232 -5.2645 -5.2645 -4.9139 -4.9139 -4.7682 -4.7682 0.1984 0.1984 0.6175 0.6175 1.2111 1.2111 1.2314 1.2314 1.2520 1.2520 1.3188 1.3188 1.6319 1.6319 1.6838 1.6838 1.9478 1.9478 2.2065 2.2065 3.0888 3.0888 3.1174 3.1174 3.2182 3.2182 3.2571 3.2571 3.3575 3.3575 3.3594 3.3594 3.3960 3.3960 4.5677 4.5677 7.0768 7.0768 8.6776 8.6776 k =-0.1546 0.3352 0.3691 ( 17000 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0081 -21.0081 -20.9987 -20.9987 -10.8863 -10.8863 -10.8331 -10.8331 -10.3662 -10.3662 -10.3451 -10.3451 -6.2550 -6.2550 -6.2200 -6.2200 -5.4378 -5.4378 -5.2733 -5.2733 -4.9840 -4.9840 -4.8204 -4.8204 0.1931 0.1931 0.6292 0.6292 1.2345 1.2345 1.2437 1.2437 1.2706 1.2706 1.3328 1.3328 1.7273 1.7273 1.7589 1.7589 1.9614 1.9614 2.2212 2.2212 3.0912 3.0912 3.1130 3.1130 3.2194 3.2194 3.2569 3.2569 3.3567 3.3567 3.3622 3.3622 3.3968 3.3968 4.5282 4.5282 7.1323 7.1323 8.6371 8.6371 k =-0.1464 0.3175 0.3497 ( 16992 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0090 -21.0090 -20.9994 -20.9994 -10.8696 -10.8696 -10.8115 -10.8115 -10.3647 -10.3647 -10.3398 -10.3398 -6.2627 -6.2627 -6.2247 -6.2247 -5.4550 -5.4550 -5.2855 -5.2855 -5.0526 -5.0526 -4.8706 -4.8706 0.1886 0.1886 0.6415 0.6415 1.2532 1.2532 1.2582 1.2582 1.2875 1.2875 1.3472 1.3472 1.8203 1.8203 1.8370 1.8370 1.9805 1.9805 2.2416 2.2416 3.0940 3.0940 3.1088 3.1088 3.2207 3.2207 3.2567 3.2567 3.3551 3.3551 3.3659 3.3659 3.3992 3.3992 4.4887 4.4887 7.1909 7.1909 8.5971 8.5971 k =-0.1383 0.2999 0.3302 ( 16988 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0100 -21.0100 -21.0001 -21.0001 -10.8525 -10.8525 -10.7892 -10.7892 -10.3629 -10.3629 -10.3340 -10.3340 -6.2711 -6.2711 -6.2302 -6.2302 -5.4752 -5.4752 -5.3031 -5.3031 -5.1169 -5.1169 -4.9173 -4.9173 0.1850 0.1850 0.6541 0.6541 1.2650 1.2650 1.2783 1.2783 1.3029 1.3029 1.3619 1.3619 1.8955 1.8955 1.9139 1.9139 2.0182 2.0182 2.2702 2.2702 3.0963 3.0963 3.1040 3.1040 3.2222 3.2222 3.2564 3.2564 3.3540 3.3540 3.3688 3.3688 3.4026 3.4026 4.4493 4.4493 7.2522 7.2522 8.5580 8.5580 k =-0.1302 0.2822 0.3108 ( 16992 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0110 -21.0110 -21.0009 -21.0009 -10.8352 -10.8352 -10.7665 -10.7665 -10.3607 -10.3607 -10.3275 -10.3275 -6.2804 -6.2804 -6.2366 -6.2366 -5.4988 -5.4988 -5.3299 -5.3299 -5.1722 -5.1722 -4.9594 -4.9594 0.1820 0.1820 0.6670 0.6670 1.2762 1.2762 1.2971 1.2971 1.3181 1.3181 1.3769 1.3769 1.9402 1.9402 1.9766 1.9766 2.0936 2.0936 2.3104 2.3104 3.0968 3.0968 3.1014 3.1014 3.2237 3.2237 3.2561 3.2561 3.3520 3.3520 3.3701 3.3701 3.4062 3.4062 4.4103 4.4103 7.3160 7.3160 8.5201 8.5201 k =-0.1220 0.2646 0.2914 ( 16988 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0120 -21.0120 -21.0016 -21.0016 -10.8179 -10.8179 -10.7436 -10.7436 -10.3581 -10.3581 -10.3203 -10.3203 -6.2905 -6.2905 -6.2440 -6.2440 -5.5259 -5.5259 -5.3692 -5.3692 -5.2140 -5.2140 -4.9962 -4.9962 0.1797 0.1797 0.6798 0.6798 1.2874 1.2874 1.3130 1.3130 1.3345 1.3345 1.3921 1.3921 1.9614 1.9614 2.0275 2.0275 2.1919 2.1919 2.3648 2.3648 3.0932 3.0932 3.1032 3.1032 3.2254 3.2254 3.2559 3.2559 3.3507 3.3507 3.3714 3.3714 3.4109 3.4109 4.3720 4.3720 7.3818 7.3818 8.4837 8.4837 k =-0.1139 0.2470 0.2720 ( 16988 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0129 -21.0129 -21.0024 -21.0024 -10.8009 -10.8009 -10.7208 -10.7208 -10.3551 -10.3551 -10.3125 -10.3125 -6.3016 -6.3016 -6.2525 -6.2525 -5.5562 -5.5562 -5.4197 -5.4197 -5.2426 -5.2426 -5.0272 -5.0272 0.1779 0.1779 0.6926 0.6926 1.2985 1.2985 1.3259 1.3259 1.3527 1.3527 1.4072 1.4072 1.9745 1.9745 2.0661 2.0661 2.2962 2.2962 2.4324 2.4324 3.0889 3.0889 3.1057 3.1057 3.2273 3.2273 3.2557 3.2557 3.3493 3.3493 3.3721 3.3721 3.4159 3.4159 4.3346 4.3346 7.4493 7.4493 8.4491 8.4491 k =-0.1058 0.2293 0.2525 ( 16994 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0139 -21.0139 -21.0031 -21.0031 -10.7844 -10.7844 -10.6984 -10.6984 -10.3516 -10.3516 -10.3040 -10.3040 -6.3136 -6.3136 -6.2622 -6.2622 -5.5891 -5.5891 -5.4758 -5.4758 -5.2626 -5.2626 -5.0527 -5.0527 0.1765 0.1765 0.7052 0.7052 1.3094 1.3094 1.3366 1.3366 1.3718 1.3718 1.4222 1.4222 1.9847 1.9847 2.0942 2.0942 2.4011 2.4011 2.5094 2.5094 3.0844 3.0844 3.1082 3.1082 3.2293 3.2293 3.2555 3.2555 3.3477 3.3477 3.3723 3.3723 3.4206 3.4206 4.2982 4.2982 7.5182 7.5182 8.4164 8.4164 k =-0.0976 0.2117 0.2331 ( 17012 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -21.0148 -21.0148 -21.0039 -21.0039 -10.7687 -10.7687 -10.6767 -10.6767 -10.3475 -10.3475 -10.2950 -10.2950 -6.3265 -6.3265 -6.2732 -6.2732 -5.6238 -5.6238 -5.5326 -5.5326 -5.2777 -5.2777 -5.0732 -5.0732 0.1755 0.1755 0.7175 0.7175 1.3200 1.3200 1.3459 1.3459 1.3910 1.3910 1.4370 1.4370 1.9932 1.9932 2.1148 2.1148 2.5039 2.5039 2.5913 2.5913 3.0799 3.0799 3.1106 3.1106 3.2315 3.2315 3.2556 3.2556 3.3453 3.3453 3.3716 3.3716 3.4246 3.4246 4.2631 4.2631 7.5881 7.5881 8.3858 8.3858 k =-0.0895 0.1940 0.2137 ( 17018 PWs) bands (ev): -67.9903 -67.9903 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -21.0157 -21.0157 -21.0046 -21.0046 -10.7539 -10.7539 -10.6560 -10.6560 -10.3430 -10.3430 -10.2855 -10.2855 -6.3402 -6.3402 -6.2856 -6.2856 -5.6592 -5.6592 -5.5872 -5.5872 -5.2897 -5.2897 -5.0896 -5.0896 0.1749 0.1749 0.7292 0.7292 1.3302 1.3302 1.3544 1.3544 1.4098 1.4098 1.4513 1.4513 2.0008 2.0008 2.1306 2.1306 2.6033 2.6033 2.6743 2.6743 3.0763 3.0763 3.1138 3.1138 3.2340 3.2340 3.2560 3.2560 3.3435 3.3435 3.3711 3.3711 3.4291 3.4291 4.2297 4.2297 7.6584 7.6584 8.3574 8.3574 k =-0.0813 0.1764 0.1943 ( 17015 PWs) bands (ev): -67.9902 -67.9902 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -21.0166 -21.0166 -21.0052 -21.0052 -10.7401 -10.7401 -10.6366 -10.6366 -10.3378 -10.3378 -10.2757 -10.2757 -6.3547 -6.3547 -6.2993 -6.2993 -5.6941 -5.6941 -5.6378 -5.6378 -5.2997 -5.2997 -5.1026 -5.1026 0.1744 0.1744 0.7404 0.7404 1.3400 1.3400 1.3621 1.3621 1.4279 1.4279 1.4652 1.4652 2.0076 2.0076 2.1432 2.1432 2.6978 2.6978 2.7553 2.7553 3.0729 3.0729 3.1169 3.1169 3.2371 3.2371 3.2569 3.2569 3.3425 3.3425 3.3717 3.3717 3.4337 3.4337 4.1980 4.1980 7.7286 7.7286 8.3313 8.3313 k =-0.0732 0.1588 0.1748 ( 17029 PWs) bands (ev): -67.9905 -67.9905 -40.0846 -40.0846 -39.1262 -39.1262 -39.0982 -39.0982 -21.0173 -21.0173 -21.0059 -21.0059 -10.7275 -10.7275 -10.6188 -10.6188 -10.3322 -10.3322 -10.2656 -10.2656 -6.3696 -6.3696 -6.3143 -6.3143 -5.7277 -5.7277 -5.6833 -5.6833 -5.3081 -5.3081 -5.1129 -5.1129 0.1742 0.1742 0.7509 0.7509 1.3490 1.3490 1.3692 1.3692 1.4449 1.4449 1.4784 1.4784 2.0138 2.0138 2.1534 2.1534 2.7862 2.7862 2.8320 2.8320 3.0686 3.0686 3.1196 3.1196 3.2408 3.2408 3.2583 3.2583 3.3403 3.3403 3.3716 3.3716 3.4379 3.4379 4.1683 4.1683 7.7982 7.7982 8.3075 8.3075 k =-0.0651 0.1411 0.1554 ( 17029 PWs) bands (ev): -67.9905 -67.9905 -40.0846 -40.0846 -39.1262 -39.1262 -39.0981 -39.0981 -21.0181 -21.0181 -21.0065 -21.0065 -10.7162 -10.7162 -10.6027 -10.6027 -10.3263 -10.3263 -10.2557 -10.2557 -6.3847 -6.3847 -6.3303 -6.3303 -5.7594 -5.7594 -5.7230 -5.7230 -5.3152 -5.3152 -5.1211 -5.1211 0.1741 0.1741 0.7606 0.7606 1.3573 1.3573 1.3757 1.3757 1.4607 1.4607 1.4908 1.4908 2.0193 2.0193 2.1619 2.1619 2.8672 2.8672 2.9025 2.9025 3.0655 3.0655 3.1232 3.1232 3.2453 3.2453 3.2607 3.2607 3.3397 3.3397 3.3724 3.3724 3.4415 3.4415 4.1408 4.1408 7.8663 7.8663 8.2862 8.2862 k =-0.0569 0.1235 0.1360 ( 17033 PWs) bands (ev): -67.9906 -67.9906 -40.0846 -40.0846 -39.1262 -39.1262 -39.0981 -39.0981 -21.0187 -21.0187 -21.0070 -21.0070 -10.7062 -10.7062 -10.5886 -10.5886 -10.3200 -10.3200 -10.2460 -10.2460 -6.3996 -6.3996 -6.3469 -6.3469 -5.7884 -5.7884 -5.7567 -5.7567 -5.3212 -5.3212 -5.1276 -5.1276 0.1742 0.1742 0.7693 0.7693 1.3646 1.3646 1.3817 1.3817 1.4749 1.4749 1.5023 1.5023 2.0242 2.0242 2.1690 2.1690 2.9394 2.9394 2.9647 2.9647 3.0637 3.0637 3.1262 3.1262 3.2509 3.2509 3.2644 3.2644 3.3383 3.3383 3.3729 3.3729 3.4454 3.4454 4.1158 4.1158 7.9320 7.9320 8.2675 8.2675 k =-0.0488 0.1058 0.1166 ( 17031 PWs) bands (ev): -67.9906 -67.9906 -40.0846 -40.0846 -39.1262 -39.1262 -39.0981 -39.0981 -21.0193 -21.0193 -21.0075 -21.0075 -10.6976 -10.6976 -10.5765 -10.5765 -10.3138 -10.3138 -10.2369 -10.2369 -6.4138 -6.4138 -6.3634 -6.3634 -5.8142 -5.8142 -5.7845 -5.7845 -5.3262 -5.3262 -5.1327 -5.1327 0.1743 0.1743 0.7771 0.7771 1.3710 1.3710 1.3871 1.3871 1.4875 1.4875 1.5129 1.5129 2.0285 2.0285 2.1750 2.1750 3.0010 3.0010 3.0155 3.0155 3.0661 3.0661 3.1295 3.1295 3.2579 3.2579 3.2701 3.2701 3.3372 3.3372 3.3741 3.3741 3.4483 3.4483 4.0935 4.0935 7.9940 7.9940 8.2513 8.2513 k =-0.0407 0.0882 0.0971 ( 17035 PWs) bands (ev): -67.9907 -67.9907 -40.0846 -40.0846 -39.1262 -39.1262 -39.0981 -39.0981 -21.0198 -21.0198 -21.0079 -21.0079 -10.6904 -10.6904 -10.5664 -10.5664 -10.3079 -10.3079 -10.2286 -10.2286 -6.4267 -6.4267 -6.3793 -6.3793 -5.8363 -5.8363 -5.8071 -5.8071 -5.3303 -5.3303 -5.1368 -5.1368 0.1744 0.1744 0.7838 0.7838 1.3764 1.3764 1.3919 1.3919 1.4983 1.4983 1.5223 1.5223 2.0322 2.0322 2.1800 2.1800 3.0400 3.0400 3.0552 3.0552 3.0799 3.0799 3.1309 3.1309 3.2664 3.2664 3.2781 3.2781 3.3371 3.3371 3.3763 3.3763 3.4510 3.4510 4.0739 4.0739 8.0510 8.0510 8.2379 8.2379 k =-0.0325 0.0706 0.0777 ( 17023 PWs) bands (ev): -67.9904 -67.9904 -40.0845 -40.0845 -39.1262 -39.1262 -39.0981 -39.0981 -21.0202 -21.0202 -21.0083 -21.0083 -10.6845 -10.6845 -10.5582 -10.5582 -10.3025 -10.3025 -10.2214 -10.2214 -6.4380 -6.4380 -6.3938 -6.3938 -5.8543 -5.8543 -5.8248 -5.8248 -5.3336 -5.3336 -5.1399 -5.1399 0.1746 0.1746 0.7894 0.7894 1.3808 1.3808 1.3960 1.3960 1.5071 1.5071 1.5304 1.5304 2.0353 2.0353 2.1840 2.1840 3.0478 3.0478 3.0924 3.0924 3.1057 3.1057 3.1334 3.1334 3.2761 3.2761 3.2888 3.2888 3.3373 3.3373 3.3795 3.3795 3.4537 3.4537 4.0576 4.0576 8.1009 8.1009 8.2276 8.2276 k =-0.0244 0.0529 0.0583 ( 17043 PWs) bands (ev): -67.9909 -67.9909 -40.0846 -40.0846 -39.1263 -39.1263 -39.0982 -39.0982 -21.0206 -21.0206 -21.0085 -21.0085 -10.6799 -10.6799 -10.5520 -10.5520 -10.2979 -10.2979 -10.2155 -10.2155 -6.4472 -6.4472 -6.4061 -6.4061 -5.8681 -5.8681 -5.8382 -5.8382 -5.3361 -5.3361 -5.1422 -5.1422 0.1747 0.1747 0.7938 0.7938 1.3841 1.3841 1.3993 1.3993 1.5139 1.5139 1.5369 1.5369 2.0376 2.0376 2.1870 2.1870 3.0479 3.0479 3.1183 3.1183 3.1258 3.1258 3.1354 3.1354 3.2854 3.2854 3.3011 3.3011 3.3362 3.3362 3.3821 3.3821 3.4551 3.4551 4.0445 4.0445 8.1412 8.1412 8.2210 8.2210 k =-0.0163 0.0353 0.0389 ( 17055 PWs) bands (ev): -67.9911 -67.9911 -40.0846 -40.0846 -39.1263 -39.1263 -39.0982 -39.0982 -21.0208 -21.0208 -21.0087 -21.0087 -10.6767 -10.6767 -10.5476 -10.5476 -10.2945 -10.2945 -10.2111 -10.2111 -6.4539 -6.4539 -6.4155 -6.4155 -5.8779 -5.8779 -5.8476 -5.8476 -5.3379 -5.3379 -5.1438 -5.1438 0.1748 0.1748 0.7970 0.7970 1.3864 1.3864 1.4017 1.4017 1.5188 1.5188 1.5417 1.5417 2.0392 2.0392 2.1892 2.1892 3.0474 3.0474 3.1305 3.1305 3.1365 3.1365 3.1442 3.1442 3.2930 3.2930 3.3130 3.3130 3.3358 3.3358 3.3852 3.3852 3.4552 3.4552 4.0349 4.0349 8.1684 8.1684 8.2195 8.2195 k =-0.0081 0.0176 0.0194 ( 17063 PWs) bands (ev): -67.9913 -67.9913 -40.0847 -40.0847 -39.1263 -39.1263 -39.0982 -39.0982 -21.0210 -21.0210 -21.0089 -21.0089 -10.6748 -10.6748 -10.5450 -10.5450 -10.2923 -10.2923 -10.2084 -10.2084 -6.4580 -6.4580 -6.4214 -6.4214 -5.8837 -5.8837 -5.8532 -5.8532 -5.3389 -5.3389 -5.1447 -5.1447 0.1749 0.1749 0.7989 0.7989 1.3878 1.3878 1.4032 1.4032 1.5217 1.5217 1.5447 1.5447 2.0401 2.0401 2.1905 2.1905 3.0466 3.0466 3.1321 3.1321 3.1445 3.1445 3.1515 3.1515 3.2978 3.2978 3.3215 3.3215 3.3358 3.3358 3.3877 3.3877 3.4555 3.4555 4.0291 4.0291 8.1809 8.1809 8.2231 8.2231 k = 0.0000 0.0000 0.0000 ( 17087 PWs) bands (ev): -67.9918 -67.9918 -40.0847 -40.0847 -39.1264 -39.1264 -39.0983 -39.0983 -21.0210 -21.0210 -21.0089 -21.0089 -10.6742 -10.6742 -10.5442 -10.5442 -10.2916 -10.2916 -10.2075 -10.2075 -6.4593 -6.4593 -6.4234 -6.4234 -5.8856 -5.8856 -5.8550 -5.8550 -5.3393 -5.3393 -5.1450 -5.1450 0.1749 0.1749 0.7996 0.7996 1.3882 1.3882 1.4037 1.4037 1.5227 1.5227 1.5457 1.5457 2.0405 2.0405 2.1910 2.1910 3.0457 3.0457 3.1310 3.1310 3.1471 3.1471 3.1540 3.1540 3.2989 3.2989 3.3246 3.3246 3.3344 3.3344 3.3878 3.3878 3.4556 3.4556 4.0271 4.0271 8.1838 8.1838 8.2257 8.2257 k = 0.0000 0.0000 0.0000 ( 17087 PWs) bands (ev): -67.9918 -67.9918 -40.0847 -40.0847 -39.1264 -39.1264 -39.0983 -39.0983 -21.0210 -21.0210 -21.0089 -21.0089 -10.6742 -10.6742 -10.5442 -10.5442 -10.2916 -10.2916 -10.2075 -10.2075 -6.4593 -6.4593 -6.4234 -6.4234 -5.8856 -5.8856 -5.8550 -5.8550 -5.3393 -5.3393 -5.1450 -5.1450 0.1749 0.1749 0.7996 0.7996 1.3882 1.3882 1.4037 1.4037 1.5227 1.5227 1.5457 1.5457 2.0405 2.0405 2.1910 2.1910 3.0457 3.0457 3.1310 3.1310 3.1471 3.1471 3.1540 3.1540 3.2989 3.2989 3.3246 3.3246 3.3344 3.3344 3.3878 3.3878 3.4556 3.4556 4.0271 4.0271 8.1838 8.1838 8.2257 8.2257 k = 0.0250 0.0115-0.0000 ( 17083 PWs) bands (ev): -67.9917 -67.9917 -40.0847 -40.0847 -39.1265 -39.1265 -39.0983 -39.0983 -21.0210 -21.0210 -21.0089 -21.0089 -10.6741 -10.6741 -10.5442 -10.5442 -10.2917 -10.2917 -10.2075 -10.2075 -6.4593 -6.4593 -6.4234 -6.4234 -5.8858 -5.8858 -5.8549 -5.8549 -5.3390 -5.3390 -5.1453 -5.1453 0.1763 0.1763 0.7982 0.7982 1.3885 1.3885 1.4039 1.4039 1.5224 1.5224 1.5454 1.5454 2.0429 2.0429 2.1853 2.1853 3.0451 3.0451 3.1323 3.1323 3.1469 3.1469 3.1539 3.1539 3.2990 3.2990 3.3248 3.3248 3.3357 3.3357 3.3884 3.3884 3.4542 3.4542 4.0323 4.0323 8.1810 8.1810 8.2229 8.2229 k = 0.0500 0.0231-0.0000 ( 17051 PWs) bands (ev): -67.9910 -67.9910 -40.0846 -40.0846 -39.1263 -39.1263 -39.0982 -39.0982 -21.0209 -21.0209 -21.0090 -21.0090 -10.6739 -10.6739 -10.5443 -10.5443 -10.2919 -10.2919 -10.2073 -10.2073 -6.4594 -6.4594 -6.4234 -6.4234 -5.8862 -5.8862 -5.8545 -5.8545 -5.3382 -5.3382 -5.1461 -5.1461 0.1804 0.1804 0.7942 0.7942 1.3891 1.3891 1.4046 1.4046 1.5217 1.5217 1.5447 1.5447 2.0504 2.0504 2.1687 2.1687 3.0497 3.0497 3.1324 3.1324 3.1464 3.1464 3.1539 3.1539 3.2989 3.2989 3.3253 3.3253 3.3388 3.3388 3.3900 3.3900 3.4522 3.4522 4.0477 4.0477 8.1727 8.1727 8.2146 8.2146 k = 0.0750 0.0346-0.0000 ( 17035 PWs) bands (ev): -67.9907 -67.9907 -40.0846 -40.0846 -39.1262 -39.1262 -39.0982 -39.0982 -21.0208 -21.0208 -21.0091 -21.0091 -10.6736 -10.6736 -10.5445 -10.5445 -10.2922 -10.2922 -10.2071 -10.2071 -6.4594 -6.4594 -6.4233 -6.4233 -5.8868 -5.8868 -5.8539 -5.8539 -5.3368 -5.3368 -5.1474 -5.1474 0.1873 0.1873 0.7877 0.7877 1.3902 1.3902 1.4056 1.4056 1.5204 1.5204 1.5435 1.5435 2.0628 2.0628 2.1420 2.1420 3.0546 3.0546 3.1322 3.1322 3.1454 3.1454 3.1538 3.1538 3.2980 3.2980 3.3260 3.3260 3.3414 3.3414 3.3912 3.3912 3.4487 3.4487 4.0727 4.0727 8.1592 8.1592 8.2013 8.2013 k = 0.1000 0.0461-0.0000 ( 16999 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0207 -21.0207 -21.0092 -21.0092 -10.6733 -10.6733 -10.5448 -10.5448 -10.2927 -10.2927 -10.2068 -10.2068 -6.4594 -6.4594 -6.4233 -6.4233 -5.8875 -5.8875 -5.8531 -5.8531 -5.3350 -5.3350 -5.1492 -5.1492 0.1969 0.1969 0.7791 0.7791 1.3916 1.3916 1.4071 1.4071 1.5187 1.5187 1.5418 1.5418 2.0797 2.0797 2.1065 2.1065 3.0605 3.0605 3.1332 3.1332 3.1443 3.1443 3.1536 3.1536 3.2971 3.2971 3.3269 3.3269 3.3453 3.3453 3.3930 3.3930 3.4448 3.4448 4.1064 4.1064 8.1412 8.1412 8.1836 8.1836 k = 0.1250 0.0576-0.0000 ( 16995 PWs) bands (ev): -67.9898 -67.9898 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0205 -21.0205 -21.0094 -21.0094 -10.6728 -10.6728 -10.5452 -10.5452 -10.2933 -10.2933 -10.2064 -10.2064 -6.4594 -6.4594 -6.4233 -6.4233 -5.8885 -5.8885 -5.8521 -5.8521 -5.3326 -5.3326 -5.1515 -5.1515 0.2091 0.2091 0.7685 0.7685 1.3933 1.3933 1.4089 1.4089 1.5165 1.5165 1.5397 1.5397 2.0637 2.0637 2.1004 2.1004 3.0654 3.0654 3.1331 3.1331 3.1428 3.1428 3.1533 3.1533 3.2956 3.2956 3.3276 3.3276 3.3484 3.3484 3.3939 3.3939 3.4383 3.4383 4.1475 4.1475 8.1194 8.1194 8.1621 8.1621 k = 0.1500 0.0692-0.0000 ( 17003 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -21.0204 -21.0204 -21.0096 -21.0096 -10.6722 -10.6722 -10.5456 -10.5456 -10.2940 -10.2940 -10.2059 -10.2059 -6.4594 -6.4594 -6.4232 -6.4232 -5.8895 -5.8895 -5.8511 -5.8511 -5.3297 -5.3297 -5.1542 -5.1542 0.2238 0.2238 0.7565 0.7565 1.3954 1.3954 1.4110 1.4110 1.5138 1.5138 1.5372 1.5372 2.0152 2.0152 2.1245 2.1245 3.0691 3.0691 3.1329 3.1329 3.1410 3.1410 3.1530 3.1530 3.2939 3.2939 3.3282 3.3282 3.3514 3.3514 3.3939 3.3939 3.4309 3.4309 4.1947 4.1947 8.0946 8.0946 8.1379 8.1379 k = 0.1750 0.0807-0.0000 ( 16987 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0201 -21.0201 -21.0098 -21.0098 -10.6716 -10.6716 -10.5460 -10.5460 -10.2948 -10.2948 -10.2053 -10.2053 -6.4595 -6.4595 -6.4232 -6.4232 -5.8906 -5.8906 -5.8500 -5.8500 -5.3264 -5.3264 -5.1574 -5.1574 0.2408 0.2408 0.7434 0.7434 1.3979 1.3979 1.4135 1.4135 1.5106 1.5106 1.5343 1.5343 1.9624 1.9624 2.1515 2.1515 3.0737 3.0737 3.1338 3.1338 3.1393 3.1393 3.1526 3.1526 3.2925 3.2925 3.3286 3.3286 3.3559 3.3559 3.3932 3.3932 3.4244 3.4244 4.2467 4.2467 8.0674 8.0674 8.1116 8.1116 k = 0.2000 0.0922-0.0000 ( 16979 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0199 -21.0199 -21.0100 -21.0100 -10.6709 -10.6709 -10.5465 -10.5465 -10.2957 -10.2957 -10.2048 -10.2048 -6.4595 -6.4595 -6.4231 -6.4231 -5.8917 -5.8917 -5.8488 -5.8488 -5.3227 -5.3227 -5.1610 -5.1610 0.2600 0.2600 0.7296 0.7296 1.4007 1.4007 1.4163 1.4163 1.5070 1.5070 1.5310 1.5310 1.9067 1.9067 2.1808 2.1808 3.0788 3.0788 3.1334 3.1334 3.1375 3.1375 3.1522 3.1522 3.2912 3.2912 3.3287 3.3287 3.3604 3.3604 3.3889 3.3889 3.4197 3.4197 4.3019 4.3019 8.0387 8.0387 8.0842 8.0842 k = 0.2250 0.1038-0.0000 ( 16974 PWs) bands (ev): -67.9894 -67.9894 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0196 -21.0196 -21.0103 -21.0103 -10.6702 -10.6702 -10.5470 -10.5470 -10.2966 -10.2966 -10.2042 -10.2042 -6.4595 -6.4595 -6.4230 -6.4230 -5.8929 -5.8929 -5.8477 -5.8477 -5.3186 -5.3186 -5.1650 -5.1650 0.2812 0.2812 0.7155 0.7155 1.4038 1.4038 1.4195 1.4195 1.5028 1.5028 1.5274 1.5274 1.8494 1.8494 2.2117 2.2117 3.0829 3.0829 3.1335 3.1335 3.1357 3.1357 3.1517 3.1517 3.2897 3.2897 3.3284 3.3284 3.3646 3.3646 3.3808 3.3808 3.4181 3.4181 4.3592 4.3592 8.0088 8.0088 8.0564 8.0564 k = 0.2500 0.1153-0.0000 ( 16970 PWs) bands (ev): -67.9893 -67.9893 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0192 -21.0192 -21.0107 -21.0107 -10.6694 -10.6694 -10.5475 -10.5475 -10.2975 -10.2975 -10.2035 -10.2035 -6.4596 -6.4596 -6.4230 -6.4230 -5.8939 -5.8939 -5.8466 -5.8466 -5.3141 -5.3141 -5.1693 -5.1693 0.3040 0.3040 0.7015 0.7015 1.4073 1.4073 1.4229 1.4229 1.4980 1.4980 1.5235 1.5235 1.7917 1.7917 2.2436 2.2436 3.0869 3.0869 3.1331 3.1331 3.1340 3.1340 3.1512 3.1512 3.2884 3.2884 3.3276 3.3276 3.3689 3.3689 3.3698 3.3698 3.4186 3.4186 4.4170 4.4170 7.9780 7.9780 8.0196 8.0196 k = 0.2750 0.1268-0.0000 ( 17006 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0189 -21.0189 -21.0110 -21.0110 -10.6687 -10.6687 -10.5481 -10.5481 -10.2985 -10.2985 -10.2029 -10.2029 -6.4596 -6.4596 -6.4229 -6.4229 -5.8950 -5.8950 -5.8455 -5.8455 -5.3094 -5.3094 -5.1739 -5.1739 0.3282 0.3282 0.6878 0.6878 1.4109 1.4109 1.4265 1.4265 1.4926 1.4926 1.5193 1.5193 1.7347 1.7347 2.2758 2.2758 3.0871 3.0871 3.1321 3.1321 3.1322 3.1322 3.1506 3.1506 3.2864 3.2864 3.3257 3.3257 3.3573 3.3573 3.3712 3.3712 3.4189 3.4189 4.4742 4.4742 7.9462 7.9462 7.9851 7.9851 k = 0.3000 0.1383-0.0000 ( 17018 PWs) bands (ev): -67.9904 -67.9904 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -21.0185 -21.0185 -21.0114 -21.0114 -10.6679 -10.6679 -10.5486 -10.5486 -10.2994 -10.2994 -10.2023 -10.2023 -6.4597 -6.4597 -6.4228 -6.4228 -5.8960 -5.8960 -5.8445 -5.8445 -5.3044 -5.3044 -5.1788 -5.1788 0.3532 0.3532 0.6749 0.6749 1.4148 1.4148 1.4304 1.4304 1.4862 1.4862 1.5148 1.5148 1.6799 1.6799 2.3078 2.3078 3.0893 3.0893 3.1305 3.1305 3.1312 3.1312 3.1501 3.1501 3.2846 3.2846 3.3220 3.3220 3.3468 3.3468 3.3742 3.3742 3.4201 3.4201 4.5295 4.5295 7.9137 7.9137 7.9543 7.9543 k = 0.3250 0.1499-0.0000 ( 16966 PWs) bands (ev): -67.9893 -67.9893 -40.0843 -40.0843 -39.1258 -39.1258 -39.0980 -39.0980 -21.0181 -21.0181 -21.0118 -21.0118 -10.6672 -10.6672 -10.5491 -10.5491 -10.3003 -10.3003 -10.2017 -10.2017 -6.4597 -6.4597 -6.4227 -6.4227 -5.8969 -5.8969 -5.8436 -5.8436 -5.2993 -5.2993 -5.1837 -5.1837 0.3786 0.3786 0.6630 0.6630 1.4189 1.4189 1.4347 1.4347 1.4787 1.4787 1.5103 1.5103 1.6287 1.6287 2.3387 2.3387 3.0933 3.0933 3.1295 3.1295 3.1323 3.1323 3.1496 3.1496 3.2838 3.2838 3.3157 3.3157 3.3400 3.3400 3.3808 3.3808 3.4246 3.4246 4.5819 4.5819 7.8814 7.8814 7.9274 7.9274 k = 0.3500 0.1614-0.0000 ( 16974 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0177 -21.0177 -21.0122 -21.0122 -10.6666 -10.6666 -10.5495 -10.5495 -10.3011 -10.3011 -10.2012 -10.2012 -6.4598 -6.4598 -6.4227 -6.4227 -5.8977 -5.8977 -5.8428 -5.8428 -5.2942 -5.2942 -5.1887 -5.1887 0.4037 0.4037 0.6522 0.6522 1.4230 1.4230 1.4390 1.4390 1.4690 1.4690 1.5056 1.5056 1.5831 1.5831 2.3678 2.3678 3.0939 3.0939 3.1281 3.1281 3.1314 3.1314 3.1492 3.1492 3.2810 3.2810 3.3071 3.3071 3.3361 3.3361 3.3838 3.3838 3.4265 3.4265 4.6300 4.6300 7.8506 7.8506 7.9042 7.9042 k = 0.3750 0.1729-0.0000 ( 16958 PWs) bands (ev): -67.9891 -67.9891 -40.0843 -40.0843 -39.1259 -39.1259 -39.0979 -39.0979 -21.0173 -21.0173 -21.0126 -21.0126 -10.6660 -10.6660 -10.5499 -10.5499 -10.3018 -10.3018 -10.2007 -10.2007 -6.4598 -6.4598 -6.4226 -6.4226 -5.8984 -5.8984 -5.8421 -5.8421 -5.2892 -5.2892 -5.1936 -5.1936 0.4277 0.4277 0.6428 0.6428 1.4268 1.4268 1.4434 1.4434 1.4560 1.4560 1.5008 1.5008 1.5458 1.5458 2.3944 2.3944 3.0948 3.0948 3.1271 3.1271 3.1322 3.1322 3.1487 3.1487 3.2770 3.2770 3.3000 3.3000 3.3340 3.3340 3.3871 3.3871 3.4287 3.4287 4.6729 4.6729 7.8225 7.8225 7.8846 7.8846 k = 0.4000 0.1845-0.0000 ( 16962 PWs) bands (ev): -67.9892 -67.9892 -40.0843 -40.0843 -39.1259 -39.1259 -39.0979 -39.0979 -21.0168 -21.0168 -21.0131 -21.0131 -10.6655 -10.6655 -10.5502 -10.5502 -10.3025 -10.3025 -10.2003 -10.2003 -6.4598 -6.4598 -6.4226 -6.4226 -5.8989 -5.8989 -5.8415 -5.8415 -5.2844 -5.2844 -5.1983 -5.1983 0.4495 0.4495 0.6348 0.6348 1.4270 1.4270 1.4419 1.4419 1.4479 1.4479 1.4960 1.4960 1.5190 1.5190 2.4175 2.4175 3.0954 3.0954 3.1262 3.1262 3.1315 3.1315 3.1484 3.1484 3.2706 3.2706 3.2948 3.2948 3.3328 3.3328 3.3893 3.3893 3.4302 3.4302 4.7095 4.7095 7.7981 7.7981 7.8684 7.8684 k = 0.4250 0.1960-0.0000 ( 16962 PWs) bands (ev): -67.9892 -67.9892 -40.0843 -40.0843 -39.1259 -39.1259 -39.0979 -39.0979 -21.0164 -21.0164 -21.0135 -21.0135 -10.6651 -10.6651 -10.5505 -10.5505 -10.3030 -10.3030 -10.2000 -10.2000 -6.4598 -6.4598 -6.4225 -6.4225 -5.8994 -5.8994 -5.8410 -5.8410 -5.2802 -5.2802 -5.2024 -5.2024 0.4682 0.4682 0.6285 0.6285 1.4127 1.4127 1.4397 1.4397 1.4523 1.4523 1.4914 1.4914 1.5020 1.5020 2.4365 2.4365 3.0958 3.0958 3.1255 3.1255 3.1308 3.1308 3.1481 3.1481 3.2628 3.2628 3.2920 3.2920 3.3319 3.3319 3.3918 3.3918 3.4320 3.4320 4.7390 4.7390 7.7783 7.7783 7.8558 7.8558 k = 0.4500 0.2075-0.0000 ( 16938 PWs) bands (ev): -67.9887 -67.9887 -40.0842 -40.0842 -39.1258 -39.1258 -39.0979 -39.0979 -21.0159 -21.0159 -21.0140 -21.0140 -10.6648 -10.6648 -10.5507 -10.5507 -10.3033 -10.3033 -10.1998 -10.1998 -6.4599 -6.4599 -6.4225 -6.4225 -5.8997 -5.8997 -5.8407 -5.8407 -5.2768 -5.2768 -5.2058 -5.2058 0.4825 0.4825 0.6240 0.6240 1.3952 1.3952 1.4426 1.4426 1.4563 1.4563 1.4872 1.4872 1.4917 1.4917 2.4507 2.4507 3.0982 3.0982 3.1253 3.1253 3.1314 3.1314 3.1478 3.1478 3.2569 3.2569 3.2910 3.2910 3.3314 3.3314 3.3939 3.3939 3.4336 3.4336 4.7606 4.7606 7.7636 7.7636 7.8467 7.8467 k = 0.4750 0.2190-0.0000 ( 16958 PWs) bands (ev): -67.9892 -67.9892 -40.0843 -40.0843 -39.1259 -39.1259 -39.0979 -39.0979 -21.0155 -21.0155 -21.0145 -21.0145 -10.6646 -10.6646 -10.5508 -10.5508 -10.3036 -10.3036 -10.1996 -10.1996 -6.4599 -6.4599 -6.4225 -6.4225 -5.8999 -5.8999 -5.8405 -5.8405 -5.2746 -5.2746 -5.2080 -5.2080 0.4917 0.4917 0.6212 0.6212 1.3829 1.3829 1.4451 1.4451 1.4593 1.4593 1.4840 1.4840 1.4857 1.4857 2.4595 2.4595 3.0970 3.0970 3.1247 3.1247 3.1309 3.1309 3.1477 3.1477 3.2523 3.2523 3.2900 3.2900 3.3311 3.3311 3.3937 3.3937 3.4334 3.4334 4.7738 4.7738 7.7546 7.7546 7.8412 7.8412 k = 0.5000 0.2306-0.0000 ( 16942 PWs) bands (ev): -67.9888 -67.9888 -40.0843 -40.0843 -39.1258 -39.1258 -39.0978 -39.0978 -21.0151 -21.0151 -21.0148 -21.0148 -10.6646 -10.6646 -10.5508 -10.5508 -10.3036 -10.3036 -10.1996 -10.1996 -6.4599 -6.4599 -6.4225 -6.4225 -5.9000 -5.9000 -5.8404 -5.8404 -5.2738 -5.2738 -5.2087 -5.2087 0.4948 0.4948 0.6203 0.6203 1.3786 1.3786 1.4462 1.4462 1.4606 1.4606 1.4828 1.4828 1.4837 1.4837 2.4624 2.4624 3.0973 3.0973 3.1247 3.1247 3.1320 3.1320 3.1477 3.1477 3.2514 3.2514 3.2901 3.2901 3.3310 3.3310 3.3947 3.3947 3.4342 3.4342 4.7783 4.7783 7.7516 7.7516 7.8393 7.8393 k = 0.5000 0.2306-0.0000 ( 16942 PWs) bands (ev): -67.9888 -67.9888 -40.0843 -40.0843 -39.1258 -39.1258 -39.0978 -39.0978 -21.0151 -21.0151 -21.0148 -21.0148 -10.6646 -10.6646 -10.5508 -10.5508 -10.3036 -10.3036 -10.1996 -10.1996 -6.4599 -6.4599 -6.4225 -6.4225 -5.9000 -5.9000 -5.8404 -5.8404 -5.2738 -5.2738 -5.2087 -5.2087 0.4948 0.4948 0.6203 0.6203 1.3786 1.3786 1.4462 1.4462 1.4606 1.4606 1.4828 1.4828 1.4837 1.4837 2.4624 2.4624 3.0973 3.0973 3.1247 3.1247 3.1320 3.1320 3.1477 3.1477 3.2514 3.2514 3.2901 3.2901 3.3310 3.3310 3.3947 3.3947 3.4342 3.4342 4.7783 4.7783 7.7516 7.7516 7.8393 7.8393 k = 0.4920 0.2479 0.0191 ( 16962 PWs) bands (ev): -67.9893 -67.9893 -40.0843 -40.0843 -39.1259 -39.1259 -39.0979 -39.0979 -21.0151 -21.0151 -21.0147 -21.0147 -10.6652 -10.6652 -10.5517 -10.5517 -10.3043 -10.3043 -10.2005 -10.2005 -6.4585 -6.4585 -6.4206 -6.4206 -5.8981 -5.8981 -5.8386 -5.8386 -5.2737 -5.2737 -5.2082 -5.2082 0.4947 0.4947 0.6197 0.6197 1.3775 1.3775 1.4458 1.4458 1.4598 1.4598 1.4821 1.4821 1.4840 1.4840 2.4617 2.4617 3.0970 3.0970 3.1222 3.1222 3.1299 3.1299 3.1452 3.1452 3.2507 3.2507 3.2878 3.2878 3.3287 3.3287 3.3937 3.3937 3.4329 3.4329 4.7790 4.7790 7.7543 7.7543 7.8385 7.8385 k = 0.4840 0.2652 0.0381 ( 16968 PWs) bands (ev): -67.9894 -67.9894 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0149 -21.0149 -21.0146 -21.0146 -10.6670 -10.6670 -10.5542 -10.5542 -10.3064 -10.3064 -10.2030 -10.2030 -6.4544 -6.4544 -6.4151 -6.4151 -5.8925 -5.8925 -5.8333 -5.8333 -5.2736 -5.2736 -5.2065 -5.2065 0.4943 0.4943 0.6180 0.6180 1.3743 1.3743 1.4446 1.4446 1.4577 1.4577 1.4803 1.4803 1.4850 1.4850 2.4595 2.4595 3.0963 3.0963 3.1144 3.1144 3.1273 3.1273 3.1378 3.1378 3.2501 3.2501 3.2824 3.2824 3.3221 3.3221 3.3933 3.3933 3.4313 3.4313 4.7811 4.7811 7.7622 7.7622 7.8344 7.8344 k = 0.4761 0.2825 0.0572 ( 16972 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0147 -21.0147 -21.0144 -21.0144 -10.6701 -10.6701 -10.5584 -10.5584 -10.3097 -10.3097 -10.2072 -10.2072 -6.4477 -6.4477 -6.4063 -6.4063 -5.8831 -5.8831 -5.8243 -5.8243 -5.2732 -5.2732 -5.2037 -5.2037 0.4937 0.4937 0.6152 0.6152 1.3692 1.3692 1.4426 1.4426 1.4543 1.4543 1.4774 1.4774 1.4864 1.4864 2.4559 2.4559 3.0928 3.0928 3.1021 3.1021 3.1214 3.1214 3.1292 3.1292 3.2483 3.2483 3.2746 3.2746 3.3126 3.3126 3.3922 3.3922 3.4288 3.4288 4.7845 4.7845 7.7747 7.7747 7.8247 7.8247 k = 0.4681 0.2998 0.0762 ( 16974 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0144 -21.0144 -21.0142 -21.0142 -10.6745 -10.6745 -10.5644 -10.5644 -10.3141 -10.3141 -10.2129 -10.2129 -6.4386 -6.4386 -6.3946 -6.3946 -5.8697 -5.8697 -5.8115 -5.8115 -5.2727 -5.2727 -5.1996 -5.1996 0.4928 0.4928 0.6113 0.6113 1.3623 1.3623 1.4395 1.4395 1.4499 1.4499 1.4734 1.4734 1.4882 1.4882 2.4508 2.4508 3.0729 3.0729 3.0886 3.0886 3.1101 3.1101 3.1266 3.1266 3.2445 3.2445 3.2674 3.2674 3.3020 3.3020 3.3909 3.3909 3.4262 3.4262 4.7893 4.7893 7.7862 7.7862 7.8139 7.8139 k = 0.4601 0.3171 0.0953 ( 16986 PWs) bands (ev): -67.9898 -67.9898 -40.0844 -40.0844 -39.1259 -39.1259 -39.0981 -39.0981 -21.0140 -21.0140 -21.0138 -21.0138 -10.6802 -10.6802 -10.5723 -10.5723 -10.3193 -10.3193 -10.2198 -10.2198 -6.4274 -6.4274 -6.3809 -6.3809 -5.8520 -5.8520 -5.7946 -5.7946 -5.2720 -5.2720 -5.1943 -5.1943 0.4917 0.4917 0.6062 0.6062 1.3538 1.3538 1.4353 1.4353 1.4443 1.4443 1.4684 1.4684 1.4902 1.4902 2.4444 2.4444 3.0389 3.0389 3.0594 3.0594 3.1080 3.1080 3.1235 3.1235 3.2382 3.2382 3.2630 3.2630 3.2920 3.2920 3.3890 3.3890 3.4233 3.4233 4.7953 4.7953 7.7735 7.7735 7.8262 7.8262 k = 0.4521 0.3344 0.1143 ( 16986 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1259 -39.1259 -39.0981 -39.0981 -21.0135 -21.0135 -21.0134 -21.0134 -10.6871 -10.6871 -10.5821 -10.5821 -10.3250 -10.3250 -10.2278 -10.2278 -6.4146 -6.4146 -6.3656 -6.3656 -5.8302 -5.8302 -5.7736 -5.7736 -5.2710 -5.2710 -5.1877 -5.1877 0.4905 0.4905 0.6001 0.6001 1.3439 1.3439 1.4300 1.4300 1.4379 1.4379 1.4627 1.4627 1.4923 1.4923 2.4366 2.4366 2.9935 2.9935 3.0168 3.0168 3.1090 3.1090 3.1210 3.1210 3.2313 3.2313 3.2609 3.2609 3.2836 3.2836 3.3883 3.3883 3.4215 3.4215 4.8025 4.8025 7.7455 7.7455 7.8534 7.8534 k = 0.4441 0.3517 0.1334 ( 16998 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0130 -21.0130 -21.0129 -21.0129 -10.6954 -10.6954 -10.5938 -10.5938 -10.3310 -10.3310 -10.2367 -10.2367 -6.4006 -6.4006 -6.3496 -6.3496 -5.8041 -5.8041 -5.7480 -5.7480 -5.2697 -5.2697 -5.1795 -5.1795 0.4891 0.4891 0.5929 0.5929 1.3329 1.3329 1.4235 1.4235 1.4304 1.4304 1.4564 1.4564 1.4946 1.4946 2.4273 2.4273 2.9370 2.9370 2.9634 2.9634 3.1111 3.1111 3.1186 3.1186 3.2252 3.2252 3.2594 3.2594 3.2767 3.2767 3.3865 3.3865 3.4196 3.4196 4.8106 4.8106 7.7117 7.7117 7.8861 7.8861 k = 0.4362 0.3690 0.1524 ( 16988 PWs) bands (ev): -67.9898 -67.9898 -40.0844 -40.0844 -39.1259 -39.1259 -39.0981 -39.0981 -21.0124 -21.0124 -21.0123 -21.0123 -10.7050 -10.7050 -10.6076 -10.6076 -10.3370 -10.3370 -10.2461 -10.2461 -6.3859 -6.3859 -6.3335 -6.3335 -5.7740 -5.7740 -5.7175 -5.7175 -5.2680 -5.2680 -5.1696 -5.1696 0.4876 0.4876 0.5846 0.5846 1.3208 1.3208 1.4158 1.4158 1.4219 1.4219 1.4498 1.4498 1.4969 1.4969 2.4167 2.4167 2.8709 2.8709 2.9004 2.9004 3.1140 3.1140 3.1169 3.1169 3.2205 3.2205 3.2594 3.2594 3.2720 3.2720 3.3861 3.3861 3.4184 3.4184 4.8198 4.8198 7.6736 7.6736 7.9218 7.9218 k = 0.4282 0.3863 0.1715 ( 16984 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1259 -39.1259 -39.0981 -39.0981 -21.0119 -21.0119 -21.0116 -21.0116 -10.7158 -10.7158 -10.6231 -10.6231 -10.3427 -10.3427 -10.2558 -10.2558 -6.3709 -6.3709 -6.3178 -6.3178 -5.7406 -5.7406 -5.6820 -5.6820 -5.2658 -5.2658 -5.1576 -5.1576 0.4860 0.4860 0.5754 0.5754 1.3080 1.3080 1.4071 1.4071 1.4123 1.4123 1.4428 1.4428 1.4993 1.4993 2.4045 2.4045 2.7966 2.7966 2.8292 2.8292 3.1134 3.1134 3.1172 3.1172 3.2169 3.2169 3.2591 3.2591 3.2688 3.2688 3.3862 3.3862 3.4178 3.4178 4.8297 4.8297 7.6320 7.6320 7.9562 7.9562 k = 0.4202 0.4036 0.1905 ( 16976 PWs) bands (ev): -67.9894 -67.9894 -40.0844 -40.0844 -39.1259 -39.1259 -39.0981 -39.0981 -21.0112 -21.0112 -21.0108 -21.0108 -10.7279 -10.7279 -10.6405 -10.6405 -10.3481 -10.3481 -10.2657 -10.2657 -6.3561 -6.3561 -6.3030 -6.3030 -5.7047 -5.7047 -5.6412 -5.6412 -5.2628 -5.2628 -5.1434 -5.1434 0.4843 0.4843 0.5653 0.5653 1.2944 1.2944 1.3976 1.3976 1.4018 1.4018 1.4356 1.4356 1.5015 1.5015 2.3904 2.3904 2.7157 2.7157 2.7512 2.7512 3.1115 3.1115 3.1207 3.1207 3.2141 3.2141 3.2587 3.2587 3.2670 3.2670 3.3860 3.3860 3.4169 3.4169 4.8403 4.8403 7.5875 7.5875 7.9866 7.9866 k = 0.4122 0.4209 0.2096 ( 16978 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1259 -39.1259 -39.0981 -39.0981 -21.0106 -21.0106 -21.0100 -21.0100 -10.7412 -10.7412 -10.6594 -10.6594 -10.3530 -10.3530 -10.2754 -10.2754 -6.3418 -6.3418 -6.2894 -6.2894 -5.6672 -5.6672 -5.5954 -5.5954 -5.2588 -5.2588 -5.1263 -5.1263 0.4827 0.4827 0.5543 0.5543 1.2802 1.2802 1.3874 1.3874 1.3903 1.3903 1.4281 1.4281 1.5035 1.5035 2.3733 2.3733 2.6304 2.6304 2.6676 2.6676 3.1092 3.1092 3.1241 3.1241 3.2118 3.2118 3.2579 3.2579 3.2659 3.2659 3.3855 3.3855 3.4156 3.4156 4.8515 4.8515 7.5405 7.5405 8.0166 8.0166 k = 0.4042 0.4382 0.2286 ( 16994 PWs) bands (ev): -67.9898 -67.9898 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0099 -21.0099 -21.0092 -21.0092 -10.7555 -10.7555 -10.6796 -10.6796 -10.3574 -10.3574 -10.2848 -10.2848 -6.3281 -6.3281 -6.2769 -6.2769 -5.6292 -5.6292 -5.5454 -5.5454 -5.2533 -5.2533 -5.1059 -5.1059 0.4811 0.4811 0.5425 0.5425 1.2657 1.2657 1.3765 1.3765 1.3781 1.3781 1.4203 1.4203 1.5052 1.5052 2.3509 2.3509 2.5442 2.5442 2.5799 2.5799 3.1059 3.1059 3.1274 3.1274 3.2099 3.2099 3.2569 3.2569 3.2654 3.2654 3.3838 3.3838 3.4136 3.4136 4.8630 4.8630 7.4914 7.4914 8.0483 8.0483 k = 0.3963 0.4555 0.2477 ( 17002 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -21.0092 -21.0092 -21.0083 -21.0083 -10.7707 -10.7707 -10.7009 -10.7009 -10.3613 -10.3613 -10.2938 -10.2938 -6.3152 -6.3152 -6.2658 -6.2658 -5.5917 -5.5917 -5.4928 -5.4928 -5.2451 -5.2451 -5.0817 -5.0817 0.4796 0.4796 0.5301 0.5301 1.2508 1.2508 1.3646 1.3646 1.3660 1.3660 1.4122 1.4122 1.5063 1.5063 2.3162 2.3162 2.4643 2.4643 2.4904 2.4904 3.1026 3.1026 3.1305 3.1305 3.2085 3.2085 3.2560 3.2560 3.2651 3.2651 3.3835 3.3835 3.4128 3.4128 4.8749 4.8749 7.4406 7.4406 8.0822 8.0822 k = 0.3883 0.4728 0.2668 ( 16994 PWs) bands (ev): -67.9898 -67.9898 -40.0844 -40.0844 -39.1259 -39.1259 -39.0981 -39.0981 -21.0084 -21.0084 -21.0073 -21.0073 -10.7867 -10.7867 -10.7230 -10.7230 -10.3646 -10.3646 -10.3023 -10.3023 -6.3033 -6.3033 -6.2559 -6.2559 -5.5555 -5.5555 -5.4401 -5.4401 -5.2323 -5.2323 -5.0532 -5.0532 0.4782 0.4782 0.5171 0.5171 1.2358 1.2358 1.3514 1.3514 1.3544 1.3544 1.4038 1.4038 1.5063 1.5063 2.2573 2.2573 2.3891 2.3891 2.4154 2.4154 3.1008 3.1008 3.1345 3.1345 3.2075 3.2075 3.2553 3.2553 3.2654 3.2654 3.3836 3.3836 3.4121 3.4121 4.8869 4.8869 7.3886 7.3886 8.1184 8.1184 k = 0.3803 0.4901 0.2858 ( 16986 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1259 -39.1259 -39.0981 -39.0981 -21.0077 -21.0077 -21.0064 -21.0064 -10.8032 -10.8032 -10.7455 -10.7455 -10.3675 -10.3675 -10.3102 -10.3102 -6.2923 -6.2923 -6.2472 -6.2472 -5.5217 -5.5217 -5.3918 -5.3918 -5.2114 -5.2114 -5.0198 -5.0198 0.4768 0.4768 0.5039 0.5039 1.2205 1.2205 1.3378 1.3378 1.3428 1.3428 1.3950 1.3950 1.5049 1.5049 2.1738 2.1738 2.2994 2.2994 2.3771 2.3771 3.0985 3.0985 3.1381 3.1381 3.2067 3.2067 3.2548 3.2548 3.2668 3.2668 3.3837 3.3837 3.4116 3.4116 4.8989 4.8989 7.3358 7.3358 8.1568 8.1568 k = 0.3723 0.5074 0.3049 ( 16984 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1259 -39.1259 -39.0981 -39.0981 -21.0069 -21.0069 -21.0054 -21.0054 -10.8200 -10.8200 -10.7682 -10.7682 -10.3699 -10.3699 -10.3174 -10.3174 -6.2822 -6.2822 -6.2396 -6.2396 -5.4910 -5.4910 -5.3533 -5.3533 -5.1779 -5.1779 -4.9817 -4.9817 0.4752 0.4752 0.4911 0.4911 1.2052 1.2052 1.3239 1.3239 1.3311 1.3311 1.3856 1.3856 1.5010 1.5010 2.0780 2.0780 2.2089 2.2089 2.3530 2.3530 3.0955 3.0955 3.1417 3.1417 3.2061 3.2061 3.2543 3.2543 3.2679 3.2679 3.3838 3.3838 3.4110 3.4110 4.9107 4.9107 7.2826 7.2826 8.1975 8.1975 k = 0.3644 0.5247 0.3239 ( 16984 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1259 -39.1259 -39.0981 -39.0981 -21.0062 -21.0062 -21.0045 -21.0045 -10.8369 -10.8369 -10.7907 -10.7907 -10.3719 -10.3719 -10.3240 -10.3240 -6.2729 -6.2729 -6.2330 -6.2330 -5.4638 -5.4638 -5.3271 -5.3271 -5.1299 -5.1299 -4.9389 -4.9389 0.4704 0.4704 0.4816 0.4816 1.1898 1.1898 1.3099 1.3099 1.3196 1.3196 1.3755 1.3755 1.4938 1.4938 1.9777 1.9777 2.1221 2.1221 2.3340 2.3340 3.0932 3.0932 3.1449 3.1449 3.2057 3.2057 3.2540 3.2540 3.2686 3.2686 3.3837 3.3837 3.4104 3.4104 4.9221 4.9221 7.2295 7.2295 8.2403 8.2403 k = 0.3564 0.5420 0.3430 ( 17002 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -21.0055 -21.0055 -21.0035 -21.0035 -10.8538 -10.8538 -10.8129 -10.8129 -10.3736 -10.3736 -10.3300 -10.3300 -6.2644 -6.2644 -6.2272 -6.2272 -5.4403 -5.4403 -5.3104 -5.3104 -5.0712 -5.0712 -4.8920 -4.8920 0.4591 0.4591 0.4790 0.4790 1.1741 1.1741 1.2959 1.2959 1.3083 1.3083 1.3644 1.3644 1.4815 1.4815 1.8771 1.8771 2.0419 2.0419 2.3172 2.3172 3.0900 3.0900 3.1475 3.1475 3.2053 3.2053 3.2536 3.2536 3.2689 3.2689 3.3826 3.3826 3.4090 3.4090 4.9329 4.9329 7.1769 7.1769 8.2851 8.2851 k = 0.3484 0.5593 0.3620 ( 16998 PWs) bands (ev): -67.9898 -67.9898 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0048 -21.0048 -21.0026 -21.0026 -10.8703 -10.8703 -10.8346 -10.8346 -10.3750 -10.3750 -10.3354 -10.3354 -6.2567 -6.2567 -6.2222 -6.2222 -5.4204 -5.4204 -5.2993 -5.2993 -5.0063 -5.0063 -4.8421 -4.8421 0.4459 0.4459 0.4790 0.4790 1.1580 1.1580 1.2819 1.2819 1.2972 1.2972 1.3517 1.3517 1.4627 1.4627 1.7789 1.7789 1.9712 1.9712 2.3019 2.3019 3.0879 3.0879 3.1507 3.1507 3.2051 3.2051 3.2537 3.2537 3.2710 3.2710 3.3820 3.3820 3.4081 3.4081 4.9431 4.9431 7.1253 7.1253 8.3317 8.3317 k = 0.3404 0.5766 0.3811 ( 17000 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0041 -21.0041 -21.0017 -21.0017 -10.8863 -10.8863 -10.8554 -10.8554 -10.3761 -10.3761 -10.3403 -10.3403 -6.2497 -6.2497 -6.2180 -6.2180 -5.4038 -5.4038 -5.2914 -5.2914 -4.9388 -4.9388 -4.7902 -4.7902 0.4325 0.4325 0.4801 0.4801 1.1410 1.1410 1.2678 1.2678 1.2864 1.2864 1.3366 1.3366 1.4359 1.4359 1.6857 1.6857 1.9130 1.9130 2.2875 2.2875 3.0858 3.0858 3.1525 3.1525 3.2050 3.2050 3.2537 3.2537 3.2725 3.2725 3.3818 3.3818 3.4075 3.4075 4.9523 4.9523 7.0752 7.0752 8.3801 8.3801 k = 0.3324 0.5939 0.4001 ( 17004 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0035 -21.0035 -21.0008 -21.0008 -10.9015 -10.9015 -10.8751 -10.8751 -10.3769 -10.3769 -10.3446 -10.3446 -6.2433 -6.2433 -6.2144 -6.2144 -5.3902 -5.3902 -5.2851 -5.2851 -4.8708 -4.8708 -4.7376 -4.7376 0.4195 0.4195 0.4821 0.4821 1.1225 1.1225 1.2533 1.2533 1.2758 1.2758 1.3176 1.3176 1.4012 1.4012 1.6012 1.6012 1.8686 1.8686 2.2740 2.2740 3.0837 3.0837 3.1547 3.1547 3.2049 3.2049 3.2539 3.2539 3.2745 3.2745 3.3810 3.3810 3.4064 3.4064 4.9602 4.9602 7.0270 7.0270 8.4298 8.4298 k = 0.3245 0.6112 0.4192 ( 17008 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -21.0029 -21.0029 -20.9999 -20.9999 -10.9158 -10.9158 -10.8937 -10.8937 -10.3775 -10.3775 -10.3484 -10.3484 -6.2375 -6.2375 -6.2113 -6.2113 -5.3792 -5.3792 -5.2797 -5.2797 -4.8040 -4.8040 -4.6854 -4.6854 0.4070 0.4070 0.4849 0.4849 1.1013 1.1013 1.2369 1.2369 1.2653 1.2653 1.2937 1.2937 1.3606 1.3606 1.5301 1.5301 1.8376 1.8376 2.2612 2.2612 3.0815 3.0815 3.1560 3.1560 3.2051 3.2051 3.2539 3.2539 3.2751 3.2751 3.3812 3.3812 3.4064 3.4064 4.9667 4.9667 6.9813 6.9813 8.4808 8.4808 k = 0.3165 0.6285 0.4382 ( 17006 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0024 -21.0024 -20.9991 -20.9991 -10.9290 -10.9290 -10.9110 -10.9110 -10.3780 -10.3780 -10.3518 -10.3518 -6.2323 -6.2323 -6.2089 -6.2089 -5.3704 -5.3704 -5.2750 -5.2750 -4.7396 -4.7396 -4.6350 -4.6350 0.3952 0.3952 0.4885 0.4885 1.0763 1.0763 1.2140 1.2140 1.2541 1.2541 1.2666 1.2666 1.3192 1.3192 1.4764 1.4764 1.8180 1.8180 2.2491 2.2491 3.0809 3.0809 3.1576 3.1576 3.2053 3.2053 3.2542 3.2542 3.2766 3.2766 3.3805 3.3805 3.4058 3.4058 4.9715 4.9715 6.9386 6.9386 8.5325 8.5325 k = 0.3085 0.6458 0.4573 ( 17022 PWs) bands (ev): -67.9904 -67.9904 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -21.0019 -21.0019 -20.9984 -20.9984 -10.9409 -10.9409 -10.9268 -10.9268 -10.3782 -10.3782 -10.3548 -10.3548 -6.2275 -6.2275 -6.2069 -6.2069 -5.3636 -5.3636 -5.2706 -5.2706 -4.6788 -4.6788 -4.5876 -4.5876 0.3840 0.3840 0.4931 0.4931 1.0462 1.0462 1.1761 1.1761 1.2405 1.2405 1.2441 1.2441 1.2855 1.2855 1.4401 1.4401 1.8070 1.8070 2.2377 2.2377 3.0788 3.0788 3.1587 3.1587 3.2055 3.2055 3.2544 3.2544 3.2782 3.2782 3.3791 3.3791 3.4043 3.4043 4.9742 4.9742 6.8993 6.8993 8.5845 8.5845 k = 0.3005 0.6631 0.4763 ( 17010 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0015 -21.0015 -20.9977 -20.9977 -10.9514 -10.9514 -10.9409 -10.9409 -10.3783 -10.3783 -10.3574 -10.3574 -6.2232 -6.2232 -6.2055 -6.2055 -5.3584 -5.3584 -5.2666 -5.2666 -4.6225 -4.6225 -4.5442 -4.5442 0.3737 0.3737 0.4985 0.4985 1.0115 1.0115 1.1251 1.1251 1.2228 1.2228 1.2295 1.2295 1.2650 1.2650 1.4167 1.4167 1.8023 1.8023 2.2273 2.2273 3.0781 3.0781 3.1596 3.1596 3.2058 3.2058 3.2548 3.2548 3.2808 3.2808 3.3793 3.3793 3.4045 3.4045 4.9748 4.9748 6.8640 6.8640 8.6364 8.6364 k = 0.2925 0.6804 0.4954 ( 17000 PWs) bands (ev): -67.9898 -67.9898 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0012 -21.0012 -20.9971 -20.9971 -10.9604 -10.9604 -10.9534 -10.9534 -10.3782 -10.3782 -10.3597 -10.3597 -6.2194 -6.2194 -6.2045 -6.2045 -5.3547 -5.3547 -5.2628 -5.2628 -4.5717 -4.5717 -4.5059 -4.5059 0.3640 0.3640 0.5048 0.5048 0.9743 0.9743 1.0707 1.0707 1.2062 1.2062 1.2188 1.2188 1.2538 1.2538 1.4015 1.4015 1.8021 1.8021 2.2177 2.2177 3.0769 3.0769 3.1608 3.1608 3.2063 3.2063 3.2551 3.2551 3.2831 3.2831 3.3795 3.3795 3.4048 3.4048 4.9729 4.9729 6.8330 6.8330 8.6874 8.6874 k = 0.2846 0.6978 0.5145 ( 17004 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0010 -21.0010 -20.9965 -20.9965 -10.9678 -10.9678 -10.9641 -10.9641 -10.3780 -10.3780 -10.3617 -10.3617 -6.2161 -6.2161 -6.2039 -6.2039 -5.3522 -5.3522 -5.2593 -5.2593 -4.5271 -4.5271 -4.4737 -4.4737 0.3547 0.3547 0.5118 0.5118 0.9381 0.9381 1.0195 1.0195 1.1934 1.1934 1.2101 1.2101 1.2471 1.2471 1.3913 1.3913 1.8049 1.8049 2.2088 2.2088 3.0763 3.0763 3.1606 3.1606 3.2066 3.2066 3.2555 3.2555 3.2862 3.2862 3.3782 3.3782 3.4038 3.4038 4.9683 4.9683 6.8069 6.8069 8.7365 8.7365 k = 0.2766 0.7151 0.5335 ( 17002 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0008 -21.0008 -20.9960 -20.9960 -10.9738 -10.9738 -10.9726 -10.9726 -10.3776 -10.3776 -10.3635 -10.3635 -6.2131 -6.2131 -6.2038 -6.2038 -5.3508 -5.3508 -5.2561 -5.2561 -4.4896 -4.4896 -4.4484 -4.4484 0.3456 0.3456 0.5194 0.5194 0.9062 0.9062 0.9752 0.9752 1.1849 1.1849 1.2032 1.2032 1.2427 1.2427 1.3846 1.3846 1.8100 1.8100 2.2008 2.2008 3.0756 3.0756 3.1599 3.1599 3.2071 3.2071 3.2559 3.2559 3.2898 3.2898 3.3775 3.3775 3.4035 3.4035 4.9608 4.9608 6.7858 6.7858 8.7828 8.7828 k = 0.2766 0.7151 0.5335 ( 17002 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0008 -21.0008 -20.9960 -20.9960 -10.9738 -10.9738 -10.9726 -10.9726 -10.3776 -10.3776 -10.3635 -10.3635 -6.2131 -6.2131 -6.2038 -6.2038 -5.3508 -5.3508 -5.2561 -5.2561 -4.4896 -4.4896 -4.4484 -4.4484 0.3456 0.3456 0.5194 0.5194 0.9062 0.9062 0.9752 0.9752 1.1849 1.1849 1.2032 1.2032 1.2427 1.2427 1.3846 1.3846 1.8100 1.8100 2.2008 2.2008 3.0756 3.0756 3.1599 3.1599 3.2071 3.2071 3.2559 3.2559 3.2898 3.2898 3.3775 3.3775 3.4035 3.4035 4.9608 4.9608 6.7858 6.7858 8.7828 8.7828 k = 0.2514 0.7098 0.5393 ( 17001 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0008 -21.0008 -20.9959 -20.9959 -10.9760 -10.9760 -10.9741 -10.9741 -10.3775 -10.3775 -10.3640 -10.3640 -6.2123 -6.2123 -6.2038 -6.2038 -5.3506 -5.3506 -5.2551 -5.2551 -4.4798 -4.4798 -4.4422 -4.4422 0.3433 0.3433 0.5207 0.5207 0.8981 0.8981 0.9633 0.9633 1.1833 1.1833 1.2018 1.2018 1.2418 1.2418 1.3831 1.3831 1.8134 1.8134 2.1975 2.1975 3.0750 3.0750 3.1594 3.1594 3.2075 3.2075 3.2557 3.2557 3.2904 3.2904 3.3778 3.3778 3.4041 3.4041 4.9578 4.9578 6.7802 6.7802 8.7967 8.7967 k = 0.2263 0.7046 0.5451 ( 17000 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0008 -21.0008 -20.9958 -20.9958 -10.9783 -10.9783 -10.9751 -10.9751 -10.3772 -10.3772 -10.3645 -10.3645 -6.2115 -6.2115 -6.2039 -6.2039 -5.3506 -5.3506 -5.2541 -5.2541 -4.4706 -4.4706 -4.4367 -4.4367 0.3418 0.3418 0.5201 0.5201 0.8911 0.8911 0.9517 0.9517 1.1822 1.1822 1.2010 1.2010 1.2409 1.2409 1.3819 1.3819 1.8199 1.8199 2.1918 2.1918 3.0747 3.0747 3.1589 3.1589 3.2083 3.2083 3.2551 3.2551 3.2904 3.2904 3.3777 3.3777 3.4047 3.4047 4.9545 4.9545 6.7745 6.7745 8.8113 8.8113 k = 0.2012 0.6993 0.5508 ( 17000 PWs) bands (ev): -67.9898 -67.9898 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0008 -21.0008 -20.9956 -20.9956 -10.9804 -10.9804 -10.9760 -10.9760 -10.3769 -10.3769 -10.3651 -10.3651 -6.2108 -6.2108 -6.2040 -6.2040 -5.3508 -5.3508 -5.2530 -5.2530 -4.4622 -4.4622 -4.4320 -4.4320 0.3411 0.3411 0.5177 0.5177 0.8852 0.8852 0.9407 0.9407 1.1815 1.1815 1.2009 1.2009 1.2402 1.2402 1.3809 1.3809 1.8293 1.8293 2.1839 2.1839 3.0749 3.0749 3.1586 3.1586 3.2096 3.2096 3.2541 3.2541 3.2896 3.2896 3.3774 3.3774 3.4052 3.4052 4.9511 4.9511 6.7689 6.7689 8.8263 8.8263 k = 0.1760 0.6941 0.5566 ( 16999 PWs) bands (ev): -67.9898 -67.9898 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0008 -21.0008 -20.9955 -20.9955 -10.9823 -10.9823 -10.9767 -10.9767 -10.3765 -10.3765 -10.3657 -10.3657 -6.2101 -6.2101 -6.2041 -6.2041 -5.3510 -5.3510 -5.2520 -5.2520 -4.4545 -4.4545 -4.4280 -4.4280 0.3413 0.3413 0.5140 0.5140 0.8804 0.8804 0.9302 0.9302 1.1810 1.1810 1.2014 1.2014 1.2395 1.2395 1.3802 1.3802 1.8413 1.8413 2.1741 2.1741 3.0747 3.0747 3.1581 3.1581 3.2113 3.2113 3.2525 3.2525 3.2879 3.2879 3.3776 3.3776 3.4066 3.4066 4.9479 4.9479 6.7633 6.7633 8.8414 8.8414 k = 0.1509 0.6889 0.5624 ( 16996 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0008 -21.0008 -20.9954 -20.9954 -10.9840 -10.9840 -10.9774 -10.9774 -10.3761 -10.3761 -10.3663 -10.3663 -6.2094 -6.2094 -6.2043 -6.2043 -5.3513 -5.3513 -5.2510 -5.2510 -4.4475 -4.4475 -4.4248 -4.4248 0.3422 0.3422 0.5093 0.5093 0.8769 0.8769 0.9205 0.9205 1.1804 1.1804 1.2025 1.2025 1.2388 1.2388 1.3796 1.3796 1.8554 1.8554 2.1626 2.1626 3.0745 3.0745 3.1572 3.1572 3.2134 3.2134 3.2505 3.2505 3.2863 3.2863 3.3779 3.3779 3.4084 3.4084 4.9451 4.9451 6.7580 6.7580 8.8559 8.8559 k = 0.1257 0.6836 0.5681 ( 16987 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0008 -21.0008 -20.9953 -20.9953 -10.9854 -10.9854 -10.9779 -10.9779 -10.3757 -10.3757 -10.3669 -10.3669 -6.2088 -6.2088 -6.2046 -6.2046 -5.3516 -5.3516 -5.2501 -5.2501 -4.4413 -4.4413 -4.4224 -4.4224 0.3436 0.3436 0.5041 0.5041 0.8745 0.8745 0.9114 0.9114 1.1799 1.1799 1.2039 1.2039 1.2382 1.2382 1.3791 1.3791 1.8709 1.8709 2.1498 2.1498 3.0744 3.0744 3.1561 3.1561 3.2159 3.2159 3.2482 3.2482 3.2845 3.2845 3.3789 3.3789 3.4107 3.4107 4.9426 4.9426 6.7532 6.7532 8.8694 8.8694 k = 0.1006 0.6784 0.5739 ( 16978 PWs) bands (ev): -67.9893 -67.9893 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0008 -21.0008 -20.9952 -20.9952 -10.9865 -10.9865 -10.9783 -10.9783 -10.3752 -10.3752 -10.3675 -10.3675 -6.2082 -6.2082 -6.2048 -6.2048 -5.3519 -5.3519 -5.2493 -5.2493 -4.4359 -4.4359 -4.4207 -4.4207 0.3454 0.3454 0.4988 0.4988 0.8732 0.8732 0.9032 0.9032 1.1794 1.1794 1.2055 1.2055 1.2376 1.2376 1.3788 1.3788 1.8871 1.8871 2.1364 2.1364 3.0742 3.0742 3.1563 3.1563 3.2187 3.2187 3.2457 3.2457 3.2824 3.2824 3.3796 3.3796 3.4127 3.4127 4.9406 4.9406 6.7489 6.7489 8.8815 8.8815 k = 0.0754 0.6731 0.5797 ( 16986 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0008 -21.0008 -20.9951 -20.9951 -10.9874 -10.9874 -10.9787 -10.9787 -10.3748 -10.3748 -10.3680 -10.3680 -6.2077 -6.2077 -6.2051 -6.2051 -5.3522 -5.3522 -5.2487 -5.2487 -4.4312 -4.4312 -4.4198 -4.4198 0.3472 0.3472 0.4939 0.4939 0.8731 0.8731 0.8959 0.8959 1.1789 1.1789 1.2069 1.2069 1.2371 1.2371 1.3786 1.3786 1.9026 1.9026 2.1232 2.1232 3.0737 3.0737 3.1555 3.1555 3.2215 3.2215 3.2427 3.2427 3.2799 3.2799 3.3795 3.3795 3.4137 3.4137 4.9390 4.9390 6.7454 6.7454 8.8915 8.8915 k = 0.0503 0.6679 0.5854 ( 16993 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0008 -21.0008 -20.9951 -20.9951 -10.9881 -10.9881 -10.9789 -10.9789 -10.3744 -10.3744 -10.3685 -10.3685 -6.2072 -6.2072 -6.2054 -6.2054 -5.3524 -5.3524 -5.2482 -5.2482 -4.4274 -4.4274 -4.4197 -4.4197 0.3488 0.3488 0.4900 0.4900 0.8742 0.8742 0.8895 0.8895 1.1786 1.1786 1.2080 1.2080 1.2367 1.2367 1.3784 1.3784 1.9160 1.9160 2.1116 2.1116 3.0730 3.0730 3.1545 3.1545 3.2245 3.2245 3.2396 3.2396 3.2787 3.2787 3.3795 3.3795 3.4143 3.4143 4.9378 4.9378 6.7428 6.7428 8.8990 8.8990 k = 0.0251 0.6627 0.5912 ( 16979 PWs) bands (ev): -67.9893 -67.9893 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0008 -21.0008 -20.9950 -20.9950 -10.9885 -10.9885 -10.9791 -10.9791 -10.3741 -10.3741 -10.3688 -10.3688 -6.2067 -6.2067 -6.2058 -6.2058 -5.3525 -5.3525 -5.2479 -5.2479 -4.4243 -4.4243 -4.4204 -4.4204 0.3499 0.3499 0.4875 0.4875 0.8764 0.8764 0.8841 0.8841 1.1784 1.1784 1.2088 1.2088 1.2364 1.2364 1.3783 1.3783 1.9255 1.9255 2.1034 2.1034 3.0735 3.0735 3.1542 3.1542 3.2272 3.2272 3.2371 3.2371 3.2785 3.2785 3.3798 3.3798 3.4159 3.4159 4.9373 4.9373 6.7412 6.7412 8.9037 8.9037 k = 0.0000 0.6574 0.5970 ( 16984 PWs) bands (ev): -67.9894 -67.9894 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0008 -21.0008 -20.9950 -20.9950 -10.9886 -10.9886 -10.9791 -10.9791 -10.3740 -10.3740 -10.3689 -10.3689 -6.2063 -6.2063 -6.2061 -6.2061 -5.3525 -5.3525 -5.2478 -5.2478 -4.4222 -4.4222 -4.4217 -4.4217 0.3503 0.3503 0.4866 0.4866 0.8795 0.8795 0.8800 0.8800 1.1783 1.1783 1.2091 1.2091 1.2363 1.2363 1.3783 1.3783 1.9289 1.9289 2.1004 2.1004 3.0733 3.0733 3.1538 3.1538 3.2286 3.2286 3.2356 3.2356 3.2781 3.2781 3.3797 3.3797 3.4160 3.4160 4.9370 4.9370 6.7407 6.7407 8.9053 8.9053 k = 0.0000 0.6574 0.5970 ( 16984 PWs) bands (ev): -67.9894 -67.9894 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0008 -21.0008 -20.9950 -20.9950 -10.9886 -10.9886 -10.9791 -10.9791 -10.3740 -10.3740 -10.3689 -10.3689 -6.2063 -6.2063 -6.2061 -6.2061 -5.3525 -5.3525 -5.2478 -5.2478 -4.4222 -4.4222 -4.4217 -4.4217 0.3503 0.3503 0.4866 0.4866 0.8795 0.8795 0.8800 0.8800 1.1783 1.1783 1.2091 1.2091 1.2363 1.2363 1.3783 1.3783 1.9289 1.9289 2.1004 2.1004 3.0733 3.0733 3.1538 3.1538 3.2286 3.2286 3.2356 3.2356 3.2781 3.2781 3.3797 3.3797 3.4160 3.4160 4.9370 4.9370 6.7407 6.7407 8.9053 8.9053 k = 0.0081 0.6399 0.6162 ( 16986 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -21.0008 -21.0008 -20.9950 -20.9950 -10.9887 -10.9887 -10.9792 -10.9792 -10.3754 -10.3754 -10.3703 -10.3703 -6.2083 -6.2083 -6.1980 -6.1980 -5.3523 -5.3523 -5.2469 -5.2469 -4.4225 -4.4225 -4.4212 -4.4212 0.3502 0.3502 0.4862 0.4862 0.8768 0.8768 0.8791 0.8791 1.1591 1.1591 1.1852 1.1852 1.2714 1.2714 1.3897 1.3897 1.9288 1.9288 2.0999 2.0999 3.0717 3.0717 3.1537 3.1537 3.2231 3.2231 3.2321 3.2321 3.2780 3.2780 3.3795 3.3795 3.4160 3.4160 4.9370 4.9370 6.7419 6.7419 8.8988 8.8988 k = 0.0161 0.6224 0.6355 ( 16978 PWs) bands (ev): -67.9893 -67.9893 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0007 -21.0007 -20.9949 -20.9949 -10.9889 -10.9889 -10.9795 -10.9795 -10.3797 -10.3797 -10.3745 -10.3745 -6.2043 -6.2043 -6.1835 -6.1835 -5.3514 -5.3514 -5.2442 -5.2442 -4.4227 -4.4227 -4.4203 -4.4203 0.3500 0.3500 0.4851 0.4851 0.8692 0.8692 0.8756 0.8756 1.1208 1.1208 1.1566 1.1566 1.3204 1.3204 1.4183 1.4183 1.9286 1.9286 2.0985 2.0985 3.0679 3.0679 3.1543 3.1543 3.2067 3.2067 3.2225 3.2225 3.2786 3.2786 3.3784 3.3784 3.4158 3.4158 4.9371 4.9371 6.7457 6.7457 8.8796 8.8796 k = 0.0242 0.6049 0.6548 ( 16978 PWs) bands (ev): -67.9893 -67.9893 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0005 -21.0005 -20.9946 -20.9946 -10.9894 -10.9894 -10.9800 -10.9800 -10.3867 -10.3867 -10.3814 -10.3814 -6.1944 -6.1944 -6.1630 -6.1630 -5.3500 -5.3500 -5.2397 -5.2397 -4.4228 -4.4228 -4.4192 -4.4192 0.3495 0.3495 0.4831 0.4831 0.8558 0.8558 0.8689 0.8689 1.0838 1.0838 1.1247 1.1247 1.3712 1.3712 1.4559 1.4559 1.9283 1.9283 2.0962 2.0962 3.0594 3.0594 3.1541 3.1541 3.1801 3.1801 3.2070 3.2070 3.2786 3.2786 3.3770 3.3770 3.4156 3.4156 4.9371 4.9371 6.7519 6.7519 8.8484 8.8484 k = 0.0323 0.5875 0.6740 ( 16976 PWs) bands (ev): -67.9893 -67.9893 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0002 -21.0002 -20.9944 -20.9944 -10.9900 -10.9900 -10.9807 -10.9807 -10.3963 -10.3963 -10.3909 -10.3909 -6.1789 -6.1789 -6.1367 -6.1367 -5.3478 -5.3478 -5.2332 -5.2332 -4.4226 -4.4226 -4.4178 -4.4178 0.3488 0.3488 0.4805 0.4805 0.8353 0.8353 0.8585 0.8585 1.0527 1.0527 1.0928 1.0928 1.4223 1.4223 1.4977 1.4977 1.9278 1.9278 2.0930 2.0930 3.0444 3.0444 3.1414 3.1414 3.1565 3.1565 3.1884 3.1884 3.2793 3.2793 3.3751 3.3751 3.4151 3.4151 4.9371 4.9371 6.7606 6.7606 8.8065 8.8065 k = 0.0403 0.5700 0.6933 ( 16984 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -20.9998 -20.9998 -20.9940 -20.9940 -10.9908 -10.9908 -10.9817 -10.9817 -10.4084 -10.4084 -10.4028 -10.4028 -6.1583 -6.1583 -6.1048 -6.1048 -5.3449 -5.3449 -5.2247 -5.2247 -4.4223 -4.4223 -4.4162 -4.4162 0.3479 0.3479 0.4771 0.4771 0.8075 0.8075 0.8434 0.8434 1.0289 1.0289 1.0637 1.0637 1.4732 1.4732 1.5413 1.5413 1.9273 1.9273 2.0890 2.0890 3.0189 3.0189 3.0957 3.0957 3.1556 3.1556 3.1698 3.1698 3.2799 3.2799 3.3729 3.3729 3.4142 3.4142 4.9372 4.9372 6.7717 6.7717 8.7556 8.7556 k = 0.0484 0.5525 0.7125 ( 16982 PWs) bands (ev): -67.9894 -67.9894 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -20.9993 -20.9993 -20.9935 -20.9935 -10.9918 -10.9918 -10.9828 -10.9828 -10.4226 -10.4226 -10.4169 -10.4169 -6.1329 -6.1329 -6.0677 -6.0677 -5.3410 -5.3410 -5.2140 -5.2140 -4.4217 -4.4217 -4.4144 -4.4144 0.3467 0.3467 0.4730 0.4730 0.7732 0.7732 0.8230 0.8230 1.0119 1.0119 1.0393 1.0393 1.5231 1.5231 1.5855 1.5855 1.9269 1.9269 2.0843 2.0843 2.9804 2.9804 3.0403 3.0403 3.1525 3.1525 3.1585 3.1585 3.2808 3.2808 3.3719 3.3719 3.4137 3.4137 4.9373 4.9373 6.7852 6.7852 8.6971 8.6971 k = 0.0565 0.5350 0.7318 ( 16978 PWs) bands (ev): -67.9893 -67.9893 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -20.9988 -20.9988 -20.9930 -20.9930 -10.9931 -10.9931 -10.9843 -10.9843 -10.4387 -10.4387 -10.4329 -10.4329 -6.1034 -6.1034 -6.0261 -6.0261 -5.3360 -5.3360 -5.2011 -5.2011 -4.4209 -4.4209 -4.4123 -4.4123 0.3451 0.3451 0.4683 0.4683 0.7344 0.7344 0.7972 0.7972 1.0000 1.0000 1.0202 1.0202 1.5717 1.5717 1.6297 1.6297 1.9267 1.9267 2.0790 2.0790 2.9286 2.9286 2.9764 2.9764 3.1424 3.1424 3.1580 3.1580 3.2818 3.2818 3.3722 3.3722 3.4136 3.4136 4.9374 4.9374 6.8010 6.8010 8.6329 8.6329 k = 0.0645 0.5175 0.7511 ( 16986 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -20.9982 -20.9982 -20.9924 -20.9924 -10.9946 -10.9946 -10.9860 -10.9860 -10.4564 -10.4564 -10.4506 -10.4506 -6.0705 -6.0705 -5.9805 -5.9805 -5.3295 -5.3295 -5.1857 -5.1857 -4.4198 -4.4198 -4.4100 -4.4100 0.3431 0.3431 0.4630 0.4630 0.6931 0.6931 0.7667 0.7667 0.9916 0.9916 1.0063 1.0063 1.6184 1.6184 1.6731 1.6731 1.9269 1.9269 2.0733 2.0733 2.8654 2.8654 2.9049 2.9049 3.1347 3.1347 3.1583 3.1583 3.2824 3.2824 3.3715 3.3715 3.4128 3.4128 4.9376 4.9376 6.8189 6.8189 8.5644 8.5644 k = 0.0726 0.5000 0.7703 ( 16990 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9976 -20.9976 -20.9918 -20.9918 -10.9964 -10.9964 -10.9880 -10.9880 -10.4755 -10.4755 -10.4696 -10.4696 -6.0348 -6.0348 -5.9317 -5.9317 -5.3212 -5.3212 -5.1676 -5.1676 -4.4186 -4.4186 -4.4074 -4.4074 0.3405 0.3405 0.4571 0.4571 0.6508 0.6508 0.7328 0.7328 0.9853 0.9853 0.9968 0.9968 1.6624 1.6624 1.7153 1.7153 1.9277 1.9277 2.0673 2.0673 2.7927 2.7927 2.8266 2.8266 3.1292 3.1292 3.1592 3.1592 3.2838 3.2838 3.3713 3.3713 3.4118 3.4118 4.9380 4.9380 6.8391 6.8391 8.4929 8.4929 k = 0.0806 0.4825 0.7896 ( 16984 PWs) bands (ev): -67.9894 -67.9894 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -20.9969 -20.9969 -20.9911 -20.9911 -10.9985 -10.9985 -10.9904 -10.9904 -10.4955 -10.4955 -10.4896 -10.4896 -5.9972 -5.9972 -5.8808 -5.8808 -5.3107 -5.3107 -5.1465 -5.1465 -4.4170 -4.4170 -4.4045 -4.4045 0.3370 0.3370 0.4507 0.4507 0.6089 0.6089 0.6969 0.6969 0.9802 0.9802 0.9906 0.9906 1.7030 1.7030 1.7558 1.7558 1.9299 1.9299 2.0616 2.0616 2.7126 2.7126 2.7426 2.7426 3.1258 3.1258 3.1606 3.1606 3.2854 3.2854 3.3714 3.3714 3.4114 3.4114 4.9384 4.9384 6.8613 6.8613 8.4195 8.4195 k = 0.0887 0.4650 0.8088 ( 16992 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9961 -20.9961 -20.9903 -20.9903 -11.0009 -11.0009 -10.9931 -10.9931 -10.5162 -10.5162 -10.5104 -10.5104 -5.9585 -5.9585 -5.8289 -5.8289 -5.2972 -5.2972 -5.1222 -5.1222 -4.4153 -4.4153 -4.4014 -4.4014 0.3324 0.3324 0.4438 0.4438 0.5683 0.5683 0.6598 0.6598 0.9760 0.9760 0.9867 0.9867 1.7386 1.7386 1.7937 1.7937 1.9339 1.9339 2.0565 2.0565 2.6268 2.6268 2.6539 2.6539 3.1225 3.1225 3.1616 3.1616 3.2870 3.2870 3.3709 3.3709 3.4101 3.4101 4.9390 4.9390 6.8854 6.8854 8.3453 8.3453 k = 0.0968 0.4476 0.8281 ( 16996 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9953 -20.9953 -20.9895 -20.9895 -11.0037 -11.0037 -10.9962 -10.9962 -10.5373 -10.5373 -10.5316 -10.5316 -5.9195 -5.9195 -5.7774 -5.7774 -5.2798 -5.2798 -5.0946 -5.0946 -4.4132 -4.4132 -4.3979 -4.3979 0.3262 0.3262 0.4365 0.4365 0.5301 0.5301 0.6226 0.6226 0.9726 0.9726 0.9842 0.9842 1.7677 1.7677 1.8277 1.8277 1.9409 1.9409 2.0530 2.0530 2.5369 2.5369 2.5618 2.5618 3.1205 3.1205 3.1621 3.1621 3.2883 3.2883 3.3711 3.3711 3.4091 3.4091 4.9396 4.9396 6.9115 6.9115 8.2710 8.2710 k = 0.1048 0.4301 0.8473 ( 16984 PWs) bands (ev): -67.9894 -67.9894 -40.0844 -40.0844 -39.1260 -39.1260 -39.0980 -39.0980 -20.9945 -20.9945 -20.9887 -20.9887 -11.0069 -11.0069 -10.9997 -10.9997 -10.5584 -10.5584 -10.5529 -10.5529 -5.8811 -5.8811 -5.7279 -5.7279 -5.2577 -5.2577 -5.0634 -5.0634 -4.4107 -4.4107 -4.3940 -4.3940 0.3177 0.3177 0.4285 0.4285 0.4955 0.4955 0.5857 0.5857 0.9699 0.9699 0.9826 0.9826 1.7884 1.7884 1.8556 1.8556 1.9520 1.9520 2.0526 2.0526 2.4449 2.4449 2.4680 2.4680 3.1196 3.1196 3.1640 3.1640 3.2905 3.2905 3.3716 3.3716 3.4084 3.4084 4.9406 4.9406 6.9393 6.9393 8.1975 8.1975 k = 0.1129 0.4126 0.8666 ( 16990 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9936 -20.9936 -20.9879 -20.9879 -11.0105 -11.0105 -11.0037 -11.0037 -10.5793 -10.5793 -10.5740 -10.5740 -5.8439 -5.8439 -5.6821 -5.6821 -5.2299 -5.2299 -5.0287 -5.0287 -4.4079 -4.4079 -4.3897 -4.3897 0.3058 0.3058 0.4199 0.4199 0.4659 0.4659 0.5497 0.5497 0.9676 0.9676 0.9815 0.9815 1.7990 1.7990 1.8733 1.8733 1.9679 1.9679 2.0571 2.0571 2.3531 2.3531 2.3747 2.3747 3.1183 3.1183 3.1651 3.1651 3.2918 3.2918 3.3709 3.3709 3.4073 3.4073 4.9416 4.9416 6.9687 6.9687 8.1253 8.1253 k = 0.1210 0.3951 0.8859 ( 16996 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9928 -20.9928 -20.9870 -20.9870 -11.0145 -11.0145 -11.0081 -11.0081 -10.5996 -10.5996 -10.5946 -10.5946 -5.8086 -5.8086 -5.6412 -5.6412 -5.1954 -5.1954 -4.9907 -4.9907 -4.4045 -4.4045 -4.3849 -4.3849 0.2899 0.2899 0.4103 0.4103 0.4424 0.4424 0.5151 0.5151 0.9657 0.9657 0.9807 0.9807 1.7988 1.7988 1.8767 1.8767 1.9875 1.9875 2.0681 2.0681 2.2651 2.2651 2.2849 2.2849 3.1166 3.1166 3.1667 3.1667 3.2936 3.2936 3.3703 3.3703 3.4060 3.4060 4.9427 4.9427 6.9997 6.9997 8.0550 8.0550 k = 0.1290 0.3776 0.9051 ( 17000 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -20.9919 -20.9919 -20.9862 -20.9862 -11.0189 -11.0189 -11.0129 -11.0129 -10.6192 -10.6192 -10.6144 -10.6144 -5.7756 -5.7756 -5.6064 -5.6064 -5.1542 -5.1542 -4.9496 -4.9496 -4.4006 -4.4006 -4.3796 -4.3796 0.2697 0.2697 0.3999 0.3999 0.4251 0.4251 0.4825 0.4825 0.9640 0.9640 0.9802 0.9802 1.7864 1.7864 1.8622 1.8622 2.0070 2.0070 2.0849 2.0849 2.1870 2.1870 2.2040 2.2040 3.1152 3.1152 3.1681 3.1681 3.2955 3.2955 3.3701 3.3701 3.4045 3.4045 4.9440 4.9440 7.0319 7.0319 7.9870 7.9870 k = 0.1371 0.3601 0.9244 ( 17008 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9911 -20.9911 -20.9853 -20.9853 -11.0237 -11.0237 -11.0183 -11.0183 -10.6378 -10.6378 -10.6333 -10.6333 -5.7452 -5.7452 -5.5777 -5.5777 -5.1069 -5.1069 -4.9061 -4.9061 -4.3959 -4.3959 -4.3737 -4.3737 0.2461 0.2461 0.3894 0.3894 0.4115 0.4115 0.4532 0.4532 0.9624 0.9624 0.9797 0.9797 1.7593 1.7593 1.8269 1.8269 2.0185 2.0185 2.1020 2.1020 2.1266 2.1266 2.1447 2.1447 3.1139 3.1139 3.1698 3.1698 3.2975 3.2975 3.3687 3.3687 3.4029 3.4029 4.9454 4.9454 7.0654 7.0654 7.9218 7.9218 k = 0.1452 0.3426 0.9436 ( 17002 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9902 -20.9902 -20.9845 -20.9845 -11.0290 -11.0290 -11.0240 -11.0240 -10.6552 -10.6552 -10.6511 -10.6511 -5.7177 -5.7177 -5.5547 -5.5547 -5.0547 -5.0547 -4.8611 -4.8611 -4.3903 -4.3903 -4.3670 -4.3670 0.2206 0.2206 0.3784 0.3784 0.3988 0.3988 0.4297 0.4297 0.9608 0.9608 0.9792 0.9792 1.7149 1.7149 1.7702 1.7702 2.0105 2.0105 2.0737 2.0737 2.1136 2.1136 2.1399 2.1399 3.1135 3.1135 3.1717 3.1717 3.3000 3.3000 3.3682 3.3682 3.4017 3.4017 4.9470 4.9470 7.0997 7.0997 7.8596 7.8596 k = 0.1532 0.3251 0.9629 ( 16994 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9894 -20.9894 -20.9836 -20.9836 -11.0345 -11.0345 -11.0300 -11.0300 -10.6713 -10.6713 -10.6676 -10.6676 -5.6929 -5.6929 -5.5366 -5.5366 -4.9994 -4.9994 -4.8154 -4.8154 -4.3834 -4.3834 -4.3593 -4.3593 0.1944 0.1944 0.3630 0.3630 0.3874 0.3874 0.4143 0.4143 0.9591 0.9591 0.9786 0.9786 1.6539 1.6539 1.6969 1.6969 1.9914 1.9914 2.0396 2.0396 2.1240 2.1240 2.1621 2.1621 3.1132 3.1132 3.1733 3.1733 3.3030 3.3030 3.3675 3.3675 3.4008 3.4008 4.9487 4.9487 7.1348 7.1348 7.8009 7.8009 k = 0.1613 0.3077 0.9821 ( 16996 PWs) bands (ev): -67.9896 -67.9896 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -20.9886 -20.9886 -20.9828 -20.9828 -11.0403 -11.0403 -11.0363 -11.0363 -10.6860 -10.6860 -10.6827 -10.6827 -5.6709 -5.6709 -5.5224 -5.5224 -4.9427 -4.9427 -4.7705 -4.7705 -4.3750 -4.3750 -4.3506 -4.3506 0.1685 0.1685 0.3420 0.3420 0.3800 0.3800 0.4050 0.4050 0.9570 0.9570 0.9777 0.9777 1.5814 1.5814 1.6147 1.6147 1.9751 1.9751 2.0162 2.0162 2.1415 2.1415 2.1864 2.1864 3.1119 3.1119 3.1748 3.1748 3.3062 3.3062 3.3662 3.3662 3.3993 3.3993 4.9505 4.9505 7.1703 7.1703 7.7459 7.7459 k = 0.1694 0.2902 1.0014 ( 17010 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9879 -20.9879 -20.9821 -20.9821 -11.0463 -11.0463 -11.0428 -11.0428 -10.6992 -10.6992 -10.6963 -10.6963 -5.6515 -5.6515 -5.5113 -5.5113 -4.8865 -4.8865 -4.7276 -4.7276 -4.3647 -4.3647 -4.3407 -4.3407 0.1437 0.1437 0.3193 0.3193 0.3753 0.3753 0.3987 0.3987 0.9545 0.9545 0.9765 0.9765 1.5037 1.5037 1.5297 1.5297 1.9639 1.9639 1.9994 1.9994 2.1602 2.1602 2.2101 2.2101 3.1104 3.1104 3.1755 3.1755 3.3086 3.3086 3.3643 3.3643 3.3974 3.3974 4.9522 4.9522 7.2058 7.2058 7.6948 7.6948 k = 0.1774 0.2727 1.0207 ( 17018 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9871 -20.9871 -20.9814 -20.9814 -11.0524 -11.0524 -11.0493 -11.0493 -10.7109 -10.7109 -10.7085 -10.7085 -5.6346 -5.6346 -5.5026 -5.5026 -4.8325 -4.8325 -4.6883 -4.6883 -4.3522 -4.3522 -4.3293 -4.3293 0.1205 0.1205 0.2970 0.2970 0.3723 0.3723 0.3942 0.3942 0.9513 0.9513 0.9747 0.9747 1.4256 1.4256 1.4462 1.4462 1.9566 1.9566 1.9868 1.9868 2.1781 2.1781 2.2325 2.2325 3.1096 3.1096 3.1768 3.1768 3.3108 3.3108 3.3625 3.3625 3.3955 3.3955 4.9540 4.9540 7.2410 7.2410 7.6480 7.6480 k = 0.1855 0.2552 1.0399 ( 17032 PWs) bands (ev): -67.9904 -67.9904 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9865 -20.9865 -20.9807 -20.9807 -11.0583 -11.0583 -11.0557 -11.0557 -10.7213 -10.7213 -10.7192 -10.7192 -5.6199 -5.6199 -5.4959 -5.4959 -4.7821 -4.7821 -4.6537 -4.6537 -4.3373 -4.3373 -4.3164 -4.3164 0.0991 0.0991 0.2763 0.2763 0.3703 0.3703 0.3910 0.3910 0.9469 0.9469 0.9719 0.9719 1.3505 1.3505 1.3671 1.3671 1.9518 1.9518 1.9767 1.9767 2.1946 2.1946 2.2533 2.2533 3.1087 3.1087 3.1769 3.1769 3.3127 3.3127 3.3606 3.3606 3.3938 3.3938 4.9557 4.9557 7.2753 7.2753 7.6055 7.6055 k = 0.1935 0.2377 1.0592 ( 17038 PWs) bands (ev): -67.9906 -67.9906 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9859 -20.9859 -20.9801 -20.9801 -11.0640 -11.0640 -11.0618 -11.0618 -10.7301 -10.7301 -10.7284 -10.7284 -5.6073 -5.6073 -5.4906 -5.4906 -4.7364 -4.7364 -4.6248 -4.6248 -4.3202 -4.3202 -4.3020 -4.3020 0.0798 0.0798 0.2574 0.2574 0.3694 0.3694 0.3888 0.3888 0.9411 0.9411 0.9679 0.9679 1.2812 1.2812 1.2947 1.2947 1.9488 1.9488 1.9686 1.9686 2.2094 2.2094 2.2721 2.2721 3.1074 3.1074 3.1785 3.1785 3.3153 3.3153 3.3587 3.3587 3.3921 3.3921 4.9574 4.9574 7.3082 7.3082 7.5677 7.5677 k = 0.2016 0.2202 1.0784 ( 17042 PWs) bands (ev): -67.9906 -67.9906 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9854 -20.9854 -20.9796 -20.9796 -11.0693 -11.0693 -11.0674 -11.0674 -10.7377 -10.7377 -10.7362 -10.7362 -5.5966 -5.5966 -5.4865 -5.4865 -4.6964 -4.6964 -4.6018 -4.6018 -4.3019 -4.3019 -4.2863 -4.2863 0.0628 0.0628 0.2407 0.2407 0.3694 0.3694 0.3873 0.3873 0.9332 0.9332 0.9621 0.9621 1.2200 1.2200 1.2312 1.2312 1.9468 1.9468 1.9619 1.9619 2.2222 2.2222 2.2887 2.2887 3.1069 3.1069 3.1796 3.1796 3.3178 3.3178 3.3568 3.3568 3.3904 3.3904 4.9589 4.9589 7.3391 7.3391 7.5347 7.5347 k = 0.2097 0.2027 1.0977 ( 17056 PWs) bands (ev): -67.9910 -67.9910 -40.0846 -40.0846 -39.1262 -39.1262 -39.0984 -39.0984 -20.9849 -20.9849 -20.9792 -20.9792 -11.0741 -11.0741 -11.0725 -11.0725 -10.7439 -10.7439 -10.7426 -10.7426 -5.5877 -5.5877 -5.4834 -5.4834 -4.6624 -4.6624 -4.5846 -4.5846 -4.2833 -4.2833 -4.2699 -4.2699 0.0482 0.0482 0.2263 0.2263 0.3702 0.3702 0.3863 0.3863 0.9228 0.9228 0.9539 0.9539 1.1689 1.1689 1.1784 1.1784 1.9456 1.9456 1.9564 1.9564 2.2330 2.2330 2.3031 2.3031 3.1059 3.1059 3.1802 3.1802 3.3190 3.3190 3.3551 3.3551 3.3886 3.3886 4.9602 4.9602 7.3671 7.3671 7.5066 7.5066 k = 0.2177 0.1852 1.1169 ( 17054 PWs) bands (ev): -67.9909 -67.9909 -40.0846 -40.0846 -39.1262 -39.1262 -39.0984 -39.0984 -20.9845 -20.9845 -20.9788 -20.9788 -11.0782 -11.0782 -11.0769 -11.0769 -10.7489 -10.7489 -10.7478 -10.7478 -5.5806 -5.5806 -5.4810 -5.4810 -4.6346 -4.6346 -4.5726 -4.5726 -4.2660 -4.2660 -4.2539 -4.2539 0.0361 0.0361 0.2142 0.2142 0.3718 0.3718 0.3857 0.3857 0.9099 0.9099 0.9431 0.9431 1.1290 1.1290 1.1377 1.1377 1.9448 1.9448 1.9520 1.9520 2.2419 2.2419 2.3150 2.3150 3.1052 3.1052 3.1810 3.1810 3.3208 3.3208 3.3544 3.3544 3.3880 3.3880 4.9614 4.9614 7.3914 7.3914 7.4837 7.4837 k = 0.2258 0.1678 1.1362 ( 17046 PWs) bands (ev): -67.9907 -67.9907 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9842 -20.9842 -20.9785 -20.9785 -11.0816 -11.0816 -11.0804 -11.0804 -10.7528 -10.7528 -10.7517 -10.7517 -5.5751 -5.5751 -5.4794 -5.4794 -4.6127 -4.6127 -4.5651 -4.5651 -4.2512 -4.2512 -4.2395 -4.2395 0.0266 0.0266 0.2048 0.2048 0.3739 0.3739 0.3851 0.3851 0.8957 0.8957 0.9307 0.9307 1.1006 1.1006 1.1089 1.1089 1.9444 1.9444 1.9488 1.9488 2.2488 2.2488 2.3243 2.3243 3.1049 3.1049 3.1823 3.1823 3.3226 3.3226 3.3540 3.3540 3.3876 3.3876 4.9624 4.9624 7.4108 7.4108 7.4663 7.4663 k = 0.2339 0.1503 1.1555 ( 17032 PWs) bands (ev): -67.9904 -67.9904 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9840 -20.9840 -20.9783 -20.9783 -11.0840 -11.0840 -11.0830 -11.0830 -10.7555 -10.7555 -10.7545 -10.7545 -5.5712 -5.5712 -5.4782 -5.4782 -4.5964 -4.5964 -4.5612 -4.5612 -4.2397 -4.2397 -4.2282 -4.2282 0.0197 0.0197 0.1980 0.1980 0.3764 0.3764 0.3843 0.3843 0.8827 0.8827 0.9187 0.9187 1.0823 1.0823 1.0907 1.0907 1.9442 1.9442 1.9464 1.9464 2.2537 2.2537 2.3310 2.3310 3.1061 3.1061 3.1833 3.1833 3.3240 3.3240 3.3538 3.3538 3.3874 3.3874 4.9632 4.9632 7.4240 7.4240 7.4552 7.4552 k = 0.2419 0.1328 1.1747 ( 17042 PWs) bands (ev): -67.9906 -67.9906 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9839 -20.9839 -20.9781 -20.9781 -11.0855 -11.0855 -11.0845 -11.0845 -10.7571 -10.7571 -10.7561 -10.7561 -5.5689 -5.5689 -5.4776 -5.4776 -4.5858 -4.5858 -4.5601 -4.5601 -4.2324 -4.2324 -4.2210 -4.2210 0.0156 0.0156 0.1938 0.1938 0.3788 0.3788 0.3831 0.3831 0.8735 0.8735 0.9101 0.9101 1.0724 1.0724 1.0809 1.0809 1.9442 1.9442 1.9449 1.9449 2.2566 2.2566 2.3351 2.3351 3.1054 3.1054 3.1834 3.1834 3.3244 3.3244 3.3529 3.3529 3.3865 3.3865 4.9636 4.9636 7.4295 7.4295 7.4513 7.4513 k = 0.2500 0.1153 1.1940 ( 17040 PWs) bands (ev): -67.9906 -67.9906 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0860 -11.0860 -11.0851 -11.0851 -10.7576 -10.7576 -10.7566 -10.7566 -5.5681 -5.5681 -5.4774 -5.4774 -4.5820 -4.5820 -4.5601 -4.5601 -4.2299 -4.2299 -4.2185 -4.2185 0.0142 0.0142 0.1924 0.1924 0.3804 0.3804 0.3819 0.3819 0.8702 0.8702 0.9070 0.9070 1.0692 1.0692 1.0779 1.0779 1.9443 1.9443 1.9443 1.9443 2.2576 2.2576 2.3365 2.3365 3.1053 3.1053 3.1836 3.1836 3.3247 3.3247 3.3528 3.3528 3.3865 3.3865 4.9637 4.9637 7.4301 7.4301 7.4512 7.4512 k = 0.2500 0.1153 1.1940 ( 17040 PWs) bands (ev): -67.9906 -67.9906 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0860 -11.0860 -11.0851 -11.0851 -10.7576 -10.7576 -10.7566 -10.7566 -5.5681 -5.5681 -5.4774 -5.4774 -4.5820 -4.5820 -4.5601 -4.5601 -4.2299 -4.2299 -4.2185 -4.2185 0.0142 0.0142 0.1924 0.1924 0.3804 0.3804 0.3819 0.3819 0.8702 0.8702 0.9070 0.9070 1.0692 1.0692 1.0779 1.0779 1.9443 1.9443 1.9443 1.9443 2.2576 2.2576 2.3365 2.3365 3.1053 3.1053 3.1836 3.1836 3.3247 3.3247 3.3528 3.3528 3.3865 3.3865 4.9637 4.9637 7.4301 7.4301 7.4512 7.4512 k = 0.2727 0.1258 1.1824 ( 17048 PWs) bands (ev): -67.9908 -67.9908 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0862 -11.0862 -11.0847 -11.0847 -10.7579 -10.7579 -10.7562 -10.7562 -5.5682 -5.5682 -5.4774 -5.4774 -4.5827 -4.5827 -4.5600 -4.5600 -4.2304 -4.2304 -4.2190 -4.2190 0.0144 0.0144 0.1928 0.1928 0.3708 0.3708 0.3916 0.3916 0.8703 0.8703 0.9081 0.9081 1.0698 1.0698 1.0784 1.0784 1.9302 1.9302 1.9582 1.9582 2.2574 2.2574 2.3362 2.3362 3.1052 3.1052 3.1826 3.1826 3.3242 3.3242 3.3512 3.3512 3.3882 3.3882 4.9637 4.9637 7.4049 7.4049 7.4765 7.4765 k = 0.2955 0.1362 1.1709 ( 17052 PWs) bands (ev): -67.9909 -67.9909 -40.0846 -40.0846 -39.1262 -39.1262 -39.0984 -39.0984 -20.9839 -20.9839 -20.9781 -20.9781 -11.0864 -11.0864 -11.0840 -11.0840 -10.7582 -10.7582 -10.7553 -10.7553 -5.5687 -5.5687 -5.4775 -5.4775 -4.5848 -4.5848 -4.5601 -4.5601 -4.2317 -4.2317 -4.2203 -4.2203 0.0150 0.0150 0.1938 0.1938 0.3609 0.3609 0.4019 0.4019 0.8706 0.8706 0.9111 0.9111 1.0715 1.0715 1.0800 1.0800 1.9160 1.9160 1.9717 1.9717 2.2569 2.2569 2.3355 2.3355 3.1050 3.1050 3.1818 3.1818 3.3228 3.3228 3.3479 3.3479 3.3936 3.3936 4.9637 4.9637 7.3727 7.3727 7.5087 7.5087 k = 0.3182 0.1467 1.1594 ( 17056 PWs) bands (ev): -67.9910 -67.9910 -40.0847 -40.0847 -39.1262 -39.1262 -39.0984 -39.0984 -20.9839 -20.9839 -20.9782 -20.9782 -11.0863 -11.0863 -11.0830 -11.0830 -10.7584 -10.7584 -10.7542 -10.7542 -5.5693 -5.5693 -5.4777 -5.4777 -4.5880 -4.5880 -4.5602 -4.5602 -4.2340 -4.2340 -4.2225 -4.2225 0.0160 0.0160 0.1954 0.1954 0.3516 0.3516 0.4117 0.4117 0.8713 0.8713 0.9161 0.9161 1.0743 1.0743 1.0826 1.0826 1.9020 1.9020 1.9846 1.9846 2.2561 2.2561 2.3344 2.3344 3.1051 3.1051 3.1812 3.1812 3.3200 3.3200 3.3439 3.3439 3.4013 3.4013 4.9637 4.9637 7.3419 7.3419 7.5396 7.5396 k = 0.3409 0.1572 1.1478 ( 17053 PWs) bands (ev): -67.9909 -67.9909 -40.0846 -40.0846 -39.1262 -39.1262 -39.0984 -39.0984 -20.9840 -20.9840 -20.9782 -20.9782 -11.0861 -11.0861 -11.0820 -11.0820 -10.7583 -10.7583 -10.7529 -10.7529 -5.5702 -5.5702 -5.4781 -5.4781 -4.5923 -4.5923 -4.5607 -4.5607 -4.2372 -4.2372 -4.2256 -4.2256 0.0175 0.0175 0.1976 0.1976 0.3431 0.3431 0.4210 0.4210 0.8727 0.8727 0.9227 0.9227 1.0783 1.0783 1.0862 1.0862 1.8886 1.8886 1.9966 1.9966 2.2549 2.2549 2.3328 2.3328 3.1054 3.1054 3.1810 3.1810 3.3160 3.3160 3.3407 3.3407 3.4103 3.4103 4.9638 4.9638 7.3135 7.3135 7.5682 7.5682 k = 0.3636 0.1677 1.1363 ( 17041 PWs) bands (ev): -67.9906 -67.9906 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9840 -20.9840 -20.9783 -20.9783 -11.0856 -11.0856 -11.0808 -11.0808 -10.7581 -10.7581 -10.7514 -10.7514 -5.5714 -5.5714 -5.4785 -5.4785 -4.5975 -4.5975 -4.5616 -4.5616 -4.2413 -4.2413 -4.2295 -4.2295 0.0196 0.0196 0.2004 0.2004 0.3354 0.3354 0.4294 0.4294 0.8748 0.8748 0.9307 0.9307 1.0835 1.0835 1.0909 1.0909 1.8759 1.8759 2.0075 2.0075 2.2534 2.2534 2.3308 2.3308 3.1060 3.1060 3.1818 3.1818 3.3121 3.3121 3.3389 3.3389 3.4186 3.4186 4.9641 4.9641 7.2882 7.2882 7.5937 7.5937 k = 0.3864 0.1782 1.1247 ( 17030 PWs) bands (ev): -67.9904 -67.9904 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9841 -20.9841 -20.9784 -20.9784 -11.0849 -11.0849 -11.0795 -11.0795 -10.7576 -10.7576 -10.7498 -10.7498 -5.5729 -5.5729 -5.4790 -5.4790 -4.6035 -4.6035 -4.5630 -4.5630 -4.2462 -4.2462 -4.2343 -4.2343 0.0221 0.0221 0.2037 0.2037 0.3288 0.3288 0.4367 0.4367 0.8780 0.8780 0.9399 0.9399 1.0898 1.0898 1.0965 1.0965 1.8644 1.8644 2.0173 2.0173 2.2515 2.2515 2.3285 2.3285 3.1061 3.1061 3.1823 3.1823 3.3087 3.3087 3.3376 3.3376 3.4268 3.4268 4.9645 4.9645 7.2666 7.2666 7.6156 7.6156 k = 0.4091 0.1887 1.1132 ( 17029 PWs) bands (ev): -67.9904 -67.9904 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9842 -20.9842 -20.9785 -20.9785 -11.0838 -11.0838 -11.0780 -11.0780 -10.7569 -10.7569 -10.7480 -10.7480 -5.5745 -5.5745 -5.4797 -5.4797 -4.6103 -4.6103 -4.5650 -4.5650 -4.2521 -4.2521 -4.2399 -4.2399 0.0253 0.0253 0.2075 0.2075 0.3233 0.3233 0.4429 0.4429 0.8822 0.8822 0.9502 0.9502 1.0972 1.0972 1.1031 1.1031 1.8543 1.8543 2.0256 2.0256 2.2493 2.2493 2.3258 2.3258 3.1061 3.1061 3.1821 3.1821 3.3052 3.3052 3.3366 3.3366 3.4331 3.4331 4.9650 4.9650 7.2492 7.2492 7.6334 7.6334 k = 0.4318 0.1991 1.1016 ( 17016 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1260 -39.1260 -39.0983 -39.0983 -20.9843 -20.9843 -20.9786 -20.9786 -11.0826 -11.0826 -11.0765 -11.0765 -10.7559 -10.7559 -10.7461 -10.7461 -5.5765 -5.5765 -5.4804 -5.4804 -4.6179 -4.6179 -4.5675 -4.5675 -4.2589 -4.2589 -4.2463 -4.2463 0.0291 0.0291 0.2116 0.2116 0.3190 0.3190 0.4476 0.4476 0.8878 0.8878 0.9614 0.9614 1.1058 1.1058 1.1106 1.1106 1.8459 1.8459 2.0326 2.0326 2.2468 2.2468 2.3227 2.3227 3.1066 3.1066 3.1824 3.1824 3.3025 3.3025 3.3360 3.3360 3.4397 3.4397 4.9657 4.9657 7.2364 7.2364 7.6466 7.6466 k = 0.4545 0.2096 1.0901 ( 17018 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1260 -39.1260 -39.0983 -39.0983 -20.9844 -20.9844 -20.9788 -20.9788 -11.0810 -11.0810 -11.0749 -11.0749 -10.7547 -10.7547 -10.7441 -10.7441 -5.5787 -5.5787 -5.4813 -5.4813 -4.6261 -4.6261 -4.5706 -4.5706 -4.2665 -4.2665 -4.2536 -4.2536 0.0335 0.0335 0.2161 0.2161 0.3160 0.3160 0.4507 0.4507 0.8946 0.8946 0.9733 0.9733 1.1154 1.1154 1.1191 1.1191 1.8395 1.8395 2.0380 2.0380 2.2440 2.2440 2.3193 2.3193 3.1063 3.1063 3.1817 3.1817 3.2998 3.2998 3.3353 3.3353 3.4444 3.4444 4.9665 4.9665 7.2284 7.2284 7.6549 7.6549 k = 0.4773 0.2201 1.0786 ( 17012 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1260 -39.1260 -39.0983 -39.0983 -20.9845 -20.9845 -20.9789 -20.9789 -11.0792 -11.0792 -11.0732 -11.0732 -10.7531 -10.7531 -10.7420 -10.7420 -5.5811 -5.5811 -5.4823 -5.4823 -4.6350 -4.6350 -4.5743 -4.5743 -4.2750 -4.2750 -4.2617 -4.2617 0.0385 0.0385 0.2209 0.2209 0.3143 0.3143 0.4522 0.4522 0.9029 0.9029 0.9860 0.9860 1.1261 1.1261 1.1286 1.1286 1.8352 1.8352 2.0418 2.0418 2.2407 2.2407 2.3155 2.3155 3.1067 3.1067 3.1820 3.1820 3.2983 3.2983 3.3344 3.3344 3.4477 3.4477 4.9673 4.9673 7.2255 7.2255 7.6580 7.6580 k = 0.5000 0.2306 1.0670 ( 17008 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9847 -20.9847 -20.9791 -20.9791 -11.0771 -11.0771 -11.0714 -11.0714 -10.7514 -10.7514 -10.7398 -10.7398 -5.5838 -5.5838 -5.4834 -5.4834 -4.6445 -4.6445 -4.5786 -4.5786 -4.2843 -4.2843 -4.2706 -4.2706 0.0441 0.0441 0.2261 0.2261 0.3139 0.3139 0.4519 0.4519 0.9128 0.9128 0.9992 0.9992 1.1377 1.1377 1.1391 1.1391 1.8332 1.8332 2.0438 2.0438 2.2372 2.2372 2.3113 2.3113 3.1076 3.1076 3.1818 3.1818 3.2981 3.2981 3.3338 3.3338 3.4485 3.4485 4.9682 4.9682 7.2278 7.2278 7.6558 7.6558 k = 0.5000 0.2306 1.0670 ( 17008 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9847 -20.9847 -20.9791 -20.9791 -11.0771 -11.0771 -11.0714 -11.0714 -10.7514 -10.7514 -10.7398 -10.7398 -5.5838 -5.5838 -5.4834 -5.4834 -4.6445 -4.6445 -4.5786 -4.5786 -4.2843 -4.2843 -4.2706 -4.2706 0.0441 0.0441 0.2261 0.2261 0.3139 0.3139 0.4519 0.4519 0.9128 0.9128 0.9992 0.9992 1.1377 1.1377 1.1391 1.1391 1.8332 1.8332 2.0438 2.0438 2.2372 2.2372 2.3113 2.3113 3.1076 3.1076 3.1818 3.1818 3.2981 3.2981 3.3338 3.3338 3.4485 3.4485 4.9682 4.9682 7.2278 7.2278 7.6558 7.6558 k = 0.5000 0.2306 1.0397 ( 17032 PWs) bands (ev): -67.9904 -67.9904 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9851 -20.9851 -20.9796 -20.9796 -11.0712 -11.0712 -11.0667 -11.0667 -10.7464 -10.7464 -10.7338 -10.7338 -5.5914 -5.5914 -5.4865 -5.4865 -4.6695 -4.6695 -4.5910 -4.5910 -4.3095 -4.3095 -4.2947 -4.2947 0.0595 0.0595 0.2398 0.2398 0.3150 0.3150 0.4492 0.4492 0.9402 0.9402 1.0341 1.0341 1.1674 1.1674 1.1694 1.1694 1.8315 1.8315 2.0471 2.0471 2.2274 2.2274 2.3001 2.3001 3.1067 3.1067 3.1809 3.1809 3.2964 3.2964 3.3304 3.3304 3.4494 3.4494 4.9700 4.9700 7.2405 7.2405 7.6436 7.6436 k = 0.5000 0.2306 1.0123 ( 17028 PWs) bands (ev): -67.9903 -67.9903 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9856 -20.9856 -20.9802 -20.9802 -11.0642 -11.0642 -11.0610 -11.0610 -10.7404 -10.7404 -10.7267 -10.7267 -5.6004 -5.6004 -5.4904 -5.4904 -4.6976 -4.6976 -4.6065 -4.6065 -4.3390 -4.3390 -4.3229 -4.3229 0.0778 0.0778 0.2557 0.2557 0.3170 0.3170 0.4467 0.4467 0.9722 0.9722 1.0745 1.0745 1.2011 1.2011 1.2059 1.2059 1.8298 1.8298 2.0509 2.0509 2.2161 2.2161 2.2872 2.2872 3.1069 3.1069 3.1808 3.1808 3.2952 3.2952 3.3291 3.3291 3.4513 3.4513 4.9723 4.9723 7.2555 7.2555 7.6305 7.6305 k = 0.5000 0.2306 0.9849 ( 17012 PWs) bands (ev): -67.9900 -67.9900 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9861 -20.9861 -20.9808 -20.9808 -11.0563 -11.0563 -11.0543 -11.0543 -10.7335 -10.7335 -10.7184 -10.7184 -5.6110 -5.6110 -5.4952 -5.4952 -4.7284 -4.7284 -4.6249 -4.6249 -4.3726 -4.3726 -4.3550 -4.3550 0.0987 0.0987 0.2732 0.2732 0.3205 0.3205 0.4445 0.4445 1.0083 1.0083 1.1200 1.1200 1.2396 1.2396 1.2470 1.2470 1.8286 1.8286 2.0548 2.0548 2.2033 2.2033 2.2732 2.2732 3.1078 3.1078 3.1817 3.1817 3.2951 3.2951 3.3277 3.3277 3.4532 3.4532 4.9746 4.9746 7.2725 7.2725 7.6171 7.6171 k = 0.5000 0.2306 0.9576 ( 17018 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1260 -39.1260 -39.0982 -39.0982 -20.9867 -20.9867 -20.9816 -20.9816 -11.0480 -11.0480 -11.0461 -11.0461 -10.7257 -10.7257 -10.7091 -10.7091 -5.6230 -5.6230 -5.5011 -5.5011 -4.7617 -4.7617 -4.6459 -4.6459 -4.4098 -4.4098 -4.3907 -4.3907 0.1223 0.1223 0.2908 0.2908 0.3272 0.3272 0.4429 0.4429 1.0479 1.0479 1.1700 1.1700 1.2826 1.2826 1.2924 1.2924 1.8281 1.8281 2.0586 2.0586 2.1891 2.1891 2.2586 2.2586 3.1083 3.1083 3.1805 3.1805 3.2939 3.2939 3.3248 3.3248 3.4547 3.4547 4.9768 4.9768 7.2915 7.2915 7.6038 7.6038 k = 0.5000 0.2306 0.9302 ( 17042 PWs) bands (ev): -67.9907 -67.9907 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9874 -20.9874 -20.9824 -20.9824 -11.0396 -11.0396 -11.0362 -11.0362 -10.7171 -10.7171 -10.6988 -10.6988 -5.6367 -5.6367 -5.5081 -5.5081 -4.7970 -4.7970 -4.6694 -4.6694 -4.4503 -4.4503 -4.4295 -4.4295 0.1484 0.1484 0.3054 0.3054 0.3399 0.3399 0.4419 0.4419 1.0903 1.0903 1.2242 1.2242 1.3298 1.3298 1.3414 1.3414 1.8287 1.8287 2.0615 2.0615 2.1737 2.1737 2.2441 2.2441 3.1083 3.1083 3.1789 3.1789 3.2919 3.2919 3.3210 3.3210 3.4551 3.4551 4.9787 4.9787 7.3123 7.3123 7.5912 7.5912 k = 0.5000 0.2306 0.9029 ( 17046 PWs) bands (ev): -67.9908 -67.9908 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9882 -20.9882 -20.9833 -20.9833 -11.0305 -11.0305 -11.0251 -11.0251 -10.7076 -10.7076 -10.6874 -10.6874 -5.6520 -5.6520 -5.5166 -5.5166 -4.8338 -4.8338 -4.6951 -4.6951 -4.4938 -4.4938 -4.4711 -4.4711 0.1769 0.1769 0.3153 0.3153 0.3601 0.3601 0.4418 0.4418 1.1349 1.1349 1.2821 1.2821 1.3808 1.3808 1.3935 1.3935 1.8310 1.8310 2.0632 2.0632 2.1575 2.1575 2.2307 2.2307 3.1082 3.1082 3.1781 3.1781 3.2909 3.2909 3.3185 3.3185 3.4566 3.4566 4.9805 4.9805 7.3346 7.3346 7.5795 7.5795 k = 0.5000 0.2306 0.8755 ( 17048 PWs) bands (ev): -67.9908 -67.9908 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9890 -20.9890 -20.9842 -20.9842 -11.0208 -11.0208 -11.0129 -11.0129 -10.6972 -10.6972 -10.6750 -10.6750 -5.6689 -5.6689 -5.5265 -5.5265 -4.8719 -4.8719 -4.7227 -4.7227 -4.5399 -4.5399 -4.5151 -4.5151 0.2076 0.2076 0.3229 0.3229 0.3848 0.3848 0.4432 0.4432 1.1805 1.1805 1.3432 1.3432 1.4353 1.4353 1.4480 1.4480 1.8357 1.8357 2.0628 2.0628 2.1409 2.1409 2.2197 2.2197 3.1085 3.1085 3.1774 3.1774 3.2897 3.2897 3.3160 3.3160 3.4582 3.4582 4.9819 4.9819 7.3583 7.3583 7.5690 7.5690 k = 0.5000 0.2306 0.8481 ( 17032 PWs) bands (ev): -67.9905 -67.9905 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9898 -20.9898 -20.9853 -20.9853 -11.0104 -11.0104 -10.9998 -10.9998 -10.6861 -10.6861 -10.6617 -10.6617 -5.6874 -5.6874 -5.5383 -5.5383 -4.9105 -4.9105 -4.7522 -4.7522 -4.5881 -4.5881 -4.5610 -4.5610 0.2405 0.2405 0.3302 0.3302 0.4099 0.4099 0.4484 0.4484 1.2262 1.2262 1.4071 1.4071 1.4924 1.4924 1.5043 1.5043 1.8436 1.8436 2.0591 2.0591 2.1244 2.1244 2.2123 2.2123 3.1105 3.1105 3.1771 3.1771 3.2895 3.2895 3.3147 3.3147 3.4591 3.4591 4.9829 4.9829 7.3832 7.3832 7.5599 7.5599 k = 0.5000 0.2306 0.8208 ( 17026 PWs) bands (ev): -67.9903 -67.9903 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9907 -20.9907 -20.9864 -20.9864 -10.9993 -10.9993 -10.9858 -10.9858 -10.6742 -10.6742 -10.6474 -10.6474 -5.7077 -5.7077 -5.5522 -5.5522 -4.9494 -4.9494 -4.7835 -4.7835 -4.6379 -4.6379 -4.6084 -4.6084 0.2750 0.2750 0.3379 0.3379 0.4274 0.4274 0.4645 0.4645 1.2707 1.2707 1.4731 1.4731 1.5512 1.5512 1.5620 1.5620 1.8557 1.8557 2.0518 2.0518 2.1090 2.1090 2.2096 2.2096 3.1116 3.1116 3.1757 3.1757 3.2890 3.2890 3.3136 3.3136 3.4598 3.4598 4.9833 4.9833 7.4091 7.4091 7.5525 7.5525 k = 0.5000 0.2306 0.7934 ( 17028 PWs) bands (ev): -67.9904 -67.9904 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9917 -20.9917 -20.9875 -20.9875 -10.9876 -10.9876 -10.9710 -10.9710 -10.6616 -10.6616 -10.6324 -10.6324 -5.7297 -5.7297 -5.5684 -5.5684 -4.9879 -4.9879 -4.8167 -4.8167 -4.6890 -4.6890 -4.6564 -4.6564 0.3107 0.3107 0.3468 0.3468 0.4351 0.4351 0.4934 0.4934 1.3124 1.3124 1.5405 1.5405 1.6088 1.6088 1.6220 1.6220 1.8729 1.8729 2.0409 2.0409 2.0965 2.0965 2.2117 2.2117 3.1120 3.1120 3.1743 3.1743 3.2872 3.2872 3.3119 3.3119 3.4611 3.4611 4.9829 4.9829 7.4357 7.4357 7.5469 7.5469 k = 0.5000 0.2306 0.7661 ( 17026 PWs) bands (ev): -67.9904 -67.9904 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9927 -20.9927 -20.9887 -20.9887 -10.9752 -10.9752 -10.9554 -10.9554 -10.6484 -10.6484 -10.6165 -10.6165 -5.7534 -5.7534 -5.5872 -5.5872 -5.0255 -5.0255 -4.8521 -4.8521 -4.7406 -4.7406 -4.7044 -4.7044 0.3438 0.3438 0.3598 0.3598 0.4405 0.4405 0.5280 0.5280 1.3501 1.3501 1.6085 1.6085 1.6618 1.6618 1.6848 1.6848 1.8958 1.8958 2.0276 2.0276 2.0894 2.0894 2.2183 2.2183 3.1130 3.1130 3.1731 3.1731 3.2858 3.2858 3.3113 3.3113 3.4610 3.4610 4.9818 4.9818 7.4627 7.4627 7.5432 7.5432 k = 0.5000 0.2306 0.7387 ( 17028 PWs) bands (ev): -67.9904 -67.9904 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9937 -20.9937 -20.9899 -20.9899 -10.9624 -10.9624 -10.9391 -10.9391 -10.6345 -10.6345 -10.5998 -10.5998 -5.7787 -5.7787 -5.6089 -5.6089 -5.0620 -5.0620 -4.8903 -4.8903 -4.7925 -4.7925 -4.7512 -4.7512 0.3608 0.3608 0.3885 0.3885 0.4479 0.4479 0.5655 0.5655 1.3825 1.3825 1.6751 1.6751 1.7081 1.7081 1.7494 1.7494 1.9244 1.9244 2.0145 2.0145 2.0910 2.0910 2.2288 2.2288 3.1136 3.1136 3.1713 3.1713 3.2839 3.2839 3.3107 3.3107 3.4612 3.4612 4.9799 4.9799 7.4896 7.4896 7.5418 7.5418 k = 0.5000 0.2306 0.7113 ( 17028 PWs) bands (ev): -67.9904 -67.9904 -40.0846 -40.0846 -39.1261 -39.1261 -39.0982 -39.0982 -20.9947 -20.9947 -20.9912 -20.9912 -10.9490 -10.9490 -10.9221 -10.9221 -10.6201 -10.6201 -10.5825 -10.5825 -5.8057 -5.8057 -5.6337 -5.6337 -5.0969 -5.0969 -4.9318 -4.9318 -4.8441 -4.8441 -4.7956 -4.7956 0.3719 0.3719 0.4162 0.4162 0.4644 0.4644 0.6049 0.6049 1.4091 1.4091 1.7351 1.7351 1.7465 1.7465 1.8141 1.8141 1.9577 1.9577 2.0066 2.0066 2.1051 2.1051 2.2429 2.2429 3.1141 3.1141 3.1691 3.1691 3.2826 3.2826 3.3112 3.3112 3.4609 3.4609 4.9772 4.9772 7.5152 7.5152 7.5436 7.5436 k = 0.5000 0.2306 0.6840 ( 17026 PWs) bands (ev): -67.9904 -67.9904 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9958 -20.9958 -20.9925 -20.9925 -10.9352 -10.9352 -10.9045 -10.9045 -10.6051 -10.6051 -10.5646 -10.5646 -5.8342 -5.8342 -5.6616 -5.6616 -5.1302 -5.1302 -4.9769 -4.9769 -4.8951 -4.8951 -4.8365 -4.8365 0.3829 0.3829 0.4305 0.4305 0.4966 0.4966 0.6459 0.6459 1.4298 1.4298 1.7646 1.7646 1.7903 1.7903 1.8784 1.8784 1.9910 1.9910 2.0164 2.0164 2.1341 2.1341 2.2607 2.2607 3.1155 3.1155 3.1673 3.1673 3.2808 3.2808 3.3116 3.3116 3.4602 3.4602 4.9737 4.9737 7.5334 7.5334 7.5545 7.5545 k = 0.5000 0.2306 0.6566 ( 17014 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1261 -39.1261 -39.0981 -39.0981 -20.9969 -20.9969 -20.9938 -20.9938 -10.9210 -10.9210 -10.8864 -10.8864 -10.5898 -10.5898 -10.5461 -10.5461 -5.8642 -5.8642 -5.6926 -5.6926 -5.1621 -5.1621 -5.0253 -5.0253 -4.9453 -4.9453 -4.8735 -4.8735 0.3943 0.3943 0.4374 0.4374 0.5380 0.5380 0.6883 0.6883 1.4452 1.4452 1.7741 1.7741 1.8175 1.8175 1.9427 1.9427 2.0227 2.0227 2.0554 2.0554 2.1768 2.1768 2.2827 2.2827 3.1165 3.1165 3.1665 3.1665 3.2794 3.2794 3.3134 3.3134 3.4593 3.4593 4.9692 4.9692 7.5410 7.5410 7.5774 7.5774 k = 0.5000 0.2306 0.6293 ( 17004 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -20.9980 -20.9980 -20.9951 -20.9951 -10.9066 -10.9066 -10.8679 -10.8679 -10.5740 -10.5740 -10.5272 -10.5272 -5.8955 -5.8955 -5.7265 -5.7265 -5.1930 -5.1930 -5.0761 -5.0761 -4.9940 -4.9940 -4.9068 -4.9068 0.4060 0.4060 0.4421 0.4421 0.5829 0.5829 0.7317 0.7317 1.4560 1.4560 1.7720 1.7720 1.8205 1.8205 2.0078 2.0078 2.0679 2.0679 2.1075 2.1075 2.2297 2.2297 2.3100 2.3100 3.1178 3.1178 3.1654 3.1654 3.2780 3.2780 3.3153 3.3153 3.4578 3.4578 4.9639 4.9639 7.5472 7.5472 7.6030 7.6030 k = 0.5000 0.2306 0.6019 ( 17014 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -20.9991 -20.9991 -20.9964 -20.9964 -10.8918 -10.8918 -10.8490 -10.8490 -10.5579 -10.5579 -10.5078 -10.5078 -5.9279 -5.9279 -5.7630 -5.7630 -5.2240 -5.2240 -5.1281 -5.1281 -5.0402 -5.0402 -4.9369 -4.9369 0.4180 0.4180 0.4462 0.4462 0.6297 0.6297 0.7760 0.7760 1.4630 1.4630 1.7620 1.7620 1.8090 1.8090 2.0713 2.0713 2.1228 2.1228 2.1658 2.1658 2.2887 2.2887 2.3445 2.3445 3.1178 3.1178 3.1625 3.1625 3.2757 3.2757 3.3171 3.3171 3.4561 3.4561 4.9576 4.9576 7.5544 7.5544 7.6284 7.6284 k = 0.5000 0.2306 0.5746 ( 17012 PWs) bands (ev): -67.9901 -67.9901 -40.0845 -40.0845 -39.1261 -39.1261 -39.0982 -39.0982 -21.0002 -21.0002 -20.9978 -20.9978 -10.8769 -10.8769 -10.8298 -10.8298 -10.5416 -10.5416 -10.4882 -10.4882 -5.9612 -5.9612 -5.8018 -5.8018 -5.2564 -5.2564 -5.1804 -5.1804 -5.0827 -5.0827 -4.9643 -4.9643 0.4301 0.4301 0.4502 0.4502 0.6776 0.6776 0.8209 0.8209 1.4672 1.4672 1.7470 1.7470 1.7906 1.7906 2.1284 2.1284 2.1833 2.1833 2.2279 2.2279 2.3504 2.3504 2.3883 2.3883 3.1187 3.1187 3.1605 3.1605 3.2741 3.2741 3.3193 3.3193 3.4543 3.4543 4.9506 4.9506 7.5629 7.5629 7.6530 7.6530 k = 0.5000 0.2306 0.5472 ( 17000 PWs) bands (ev): -67.9898 -67.9898 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0014 -21.0014 -20.9991 -20.9991 -10.8619 -10.8619 -10.8104 -10.8104 -10.5251 -10.5251 -10.4684 -10.4684 -5.9953 -5.9953 -5.8423 -5.8423 -5.2918 -5.2918 -5.2322 -5.2322 -5.1199 -5.1199 -4.9893 -4.9893 0.4419 0.4419 0.4547 0.4547 0.7264 0.7264 0.8662 0.8662 1.4693 1.4693 1.7291 1.7291 1.7692 1.7692 2.1752 2.1752 2.2483 2.2483 2.2925 2.2925 2.4124 2.4124 2.4425 2.4425 3.1200 3.1200 3.1579 3.1579 3.2739 3.2739 3.3226 3.3226 3.4525 3.4525 4.9428 4.9428 7.5728 7.5728 7.6765 7.6765 k = 0.5000 0.2306 0.5198 ( 16994 PWs) bands (ev): -67.9897 -67.9897 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0025 -21.0025 -21.0004 -21.0004 -10.8469 -10.8469 -10.7910 -10.7910 -10.5086 -10.5086 -10.4484 -10.4484 -6.0299 -6.0299 -5.8840 -5.8840 -5.3311 -5.3311 -5.2826 -5.2826 -5.1511 -5.1511 -5.0124 -5.0124 0.4515 0.4515 0.4614 0.4614 0.7757 0.7757 0.9117 0.9117 1.4698 1.4698 1.7094 1.7094 1.7464 1.7464 2.2124 2.2124 2.3161 2.3161 2.3583 2.3583 2.4748 2.4748 2.5045 2.5045 3.1207 3.1207 3.1564 3.1564 3.2732 3.2732 3.3253 3.3253 3.4499 3.4499 4.9343 4.9343 7.5841 7.5841 7.6987 7.6987 k = 0.5000 0.2306 0.4925 ( 17000 PWs) bands (ev): -67.9899 -67.9899 -40.0845 -40.0845 -39.1260 -39.1260 -39.0981 -39.0981 -21.0035 -21.0035 -21.0017 -21.0017 -10.8319 -10.8319 -10.7716 -10.7716 -10.4921 -10.4921 -10.4284 -10.4284 -6.0648 -6.0648 -5.9266 -5.9266 -5.3742 -5.3742 -5.3315 -5.3315 -5.1762 -5.1762 -5.0338 -5.0338 0.4573 0.4573 0.4720 0.4720 0.8251 0.8251 0.9571 0.9571 1.4692 1.4692 1.6888 1.6888 1.7232 1.7232 2.2426 2.2426 2.3846 2.3846 2.4245 2.4245 2.5387 2.5387 2.5701 2.5701 3.1208 3.1208 3.1539 3.1539 3.2718 3.2718 3.3283 3.3283 3.4471 3.4471 4.9251 4.9251 7.5967 7.5967 7.7195 7.7195 k = 0.5000 0.2306 0.4651 ( 16996 PWs) bands (ev): -67.9898 -67.9898 -40.0844 -40.0844 -39.1260 -39.1260 -39.0981 -39.0981 -21.0046 -21.0046 -21.0030 -21.0030 -10.8170 -10.8170 -10.7523 -10.7523 -10.4756 -10.4756 -10.4086 -10.4086 -6.0996 -6.0996 -5.9694 -5.9694 -5.4198 -5.4198 -5.3789 -5.3789 -5.1961 -5.1961 -5.0535 -5.0535 0.4613 0.4613 0.4842 0.4842 0.8745 0.8745 1.0022 1.0022 1.4677 1.4677 1.6678 1.6678 1.7001 1.7001 2.2683 2.2683 2.4526 2.4526 2.4903 2.4903 2.6041 2.6041 2.6364 2.6364 3.1212 3.1212 3.1516 3.1516 3.2719 3.2719 3.3321 3.3321 3.4440 3.4440 4.9154 4.9154 7.6105 7.6105 7.7387 7.7387 k = 0.5000 0.2306 0.4378 ( 16972 PWs) bands (ev): -67.9892 -67.9892 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0056 -21.0056 -21.0042 -21.0042 -10.8024 -10.8024 -10.7332 -10.7332 -10.4594 -10.4594 -10.3890 -10.3890 -6.1341 -6.1341 -6.0121 -6.0121 -5.4663 -5.4663 -5.4250 -5.4250 -5.2119 -5.2119 -5.0717 -5.0717 0.4649 0.4649 0.4967 0.4967 0.9235 0.9235 1.0467 1.0467 1.4657 1.4657 1.6468 1.6468 1.6776 1.6776 2.2908 2.2908 2.5195 2.5195 2.5550 2.5550 2.6700 2.6700 2.7022 2.7022 3.1221 3.1221 3.1500 3.1500 3.2721 3.2721 3.3377 3.3377 3.4422 3.4422 4.9053 4.9053 7.6254 7.6254 7.7562 7.7562 k = 0.5000 0.2306 0.4104 ( 16962 PWs) bands (ev): -67.9890 -67.9890 -40.0843 -40.0843 -39.1259 -39.1259 -39.0980 -39.0980 -21.0066 -21.0066 -21.0054 -21.0054 -10.7881 -10.7881 -10.7145 -10.7145 -10.4434 -10.4434 -10.3697 -10.3697 -6.1681 -6.1681 -6.0542 -6.0542 -5.5125 -5.5125 -5.4699 -5.4699 -5.2245 -5.2245 -5.0885 -5.0885 0.4682 0.4682 0.5092 0.5092 0.9718 0.9718 1.0904 1.0904 1.4634 1.4634 1.6262 1.6262 1.6557 1.6557 2.3111 2.3111 2.5845 2.5845 2.6180 2.6180 2.7353 2.7353 2.7665 2.7665 3.1241 3.1241 3.1480 3.1480 3.2718 3.2718 3.3419 3.3419 3.4391 3.4391 4.8947 4.8947 7.6412 7.6412 7.7721 7.7721 k = 0.5000 0.2306 0.3830 ( 16972 PWs) bands (ev): -67.9893 -67.9893 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0076 -21.0076 -21.0065 -21.0065 -10.7741 -10.7741 -10.6962 -10.6962 -10.4279 -10.4279 -10.3508 -10.3508 -6.2013 -6.2013 -6.0953 -6.0953 -5.5576 -5.5576 -5.5131 -5.5131 -5.2347 -5.2347 -5.1041 -5.1041 0.4713 0.4713 0.5215 0.5215 1.0191 1.0191 1.1329 1.1329 1.4610 1.4610 1.6061 1.6061 1.6347 1.6347 2.3297 2.3297 2.6474 2.6474 2.6789 2.6789 2.7992 2.7992 2.8286 2.8286 3.1240 3.1240 3.1450 3.1450 3.2706 3.2706 3.3468 3.3468 3.4356 3.4356 4.8838 4.8838 7.6579 7.6579 7.7862 7.7862 k = 0.5000 0.2306 0.3557 ( 16980 PWs) bands (ev): -67.9895 -67.9895 -40.0844 -40.0844 -39.1259 -39.1259 -39.0981 -39.0981 -21.0085 -21.0085 -21.0076 -21.0076 -10.7607 -10.7607 -10.6786 -10.6786 -10.4128 -10.4128 -10.3325 -10.3325 -6.2334 -6.2334 -6.1352 -6.1352 -5.6010 -5.6010 -5.5547 -5.5547 -5.2430 -5.2430 -5.1184 -5.1184 0.4743 0.4743 0.5334 0.5334 1.0652 1.0652 1.1740 1.1740 1.4584 1.4584 1.5868 1.5868 1.6148 1.6148 2.3469 2.3469 2.7077 2.7077 2.7373 2.7373 2.8611 2.8611 2.8880 2.8880 3.1231 3.1231 3.1437 3.1437 3.2705 3.2705 3.3505 3.3505 3.4322 3.4322 4.8728 4.8728 7.6752 7.6752 7.7988 7.7988 k = 0.5000 0.2306 0.3283 ( 16976 PWs) bands (ev): -67.9894 -67.9894 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0094 -21.0094 -21.0087 -21.0087 -10.7478 -10.7478 -10.6616 -10.6616 -10.3983 -10.3983 -10.3149 -10.3149 -6.2642 -6.2642 -6.1735 -6.1735 -5.6423 -5.6423 -5.5941 -5.5941 -5.2498 -5.2498 -5.1316 -5.1316 0.4772 0.4772 0.5449 0.5449 1.1095 1.1095 1.2134 1.2134 1.4560 1.4560 1.5684 1.5684 1.5962 1.5962 2.3630 2.3630 2.7651 2.7651 2.7928 2.7928 2.9203 2.9203 2.9441 2.9441 3.1219 3.1219 3.1449 3.1449 3.2699 3.2699 3.3556 3.3556 3.4293 3.4293 4.8618 4.8618 7.6931 7.6931 7.8097 7.8097 k = 0.5000 0.2306 0.3010 ( 16968 PWs) bands (ev): -67.9892 -67.9892 -40.0843 -40.0843 -39.1259 -39.1259 -39.0980 -39.0980 -21.0102 -21.0102 -21.0096 -21.0096 -10.7356 -10.7356 -10.6454 -10.6454 -10.3845 -10.3845 -10.2982 -10.2982 -6.2934 -6.2934 -6.2099 -6.2099 -5.6812 -5.6812 -5.6313 -5.6313 -5.2553 -5.2553 -5.1437 -5.1437 0.4798 0.4798 0.5559 0.5559 1.1519 1.1519 1.2507 1.2507 1.4538 1.4538 1.5511 1.5511 1.5788 1.5788 2.3780 2.3780 2.8192 2.8192 2.8451 2.8451 2.9763 2.9763 2.9959 2.9959 3.1203 3.1203 3.1473 3.1473 3.2694 3.2694 3.3612 3.3612 3.4273 3.4273 4.8510 4.8510 7.7112 7.7112 7.8192 7.8192 k = 0.5000 0.2306 0.2736 ( 16968 PWs) bands (ev): -67.9893 -67.9893 -40.0843 -40.0843 -39.1259 -39.1259 -39.0980 -39.0980 -21.0110 -21.0110 -21.0106 -21.0106 -10.7240 -10.7240 -10.6302 -10.6302 -10.3715 -10.3715 -10.2824 -10.2824 -6.3209 -6.3209 -6.2441 -6.2441 -5.7175 -5.7175 -5.6660 -5.6660 -5.2598 -5.2598 -5.1547 -5.1547 0.4823 0.4823 0.5662 0.5662 1.1918 1.1918 1.2858 1.2858 1.4520 1.4520 1.5349 1.5349 1.5629 1.5629 2.3919 2.3919 2.8698 2.8698 2.8938 2.8938 3.0282 3.0282 3.0422 3.0422 3.1186 3.1186 3.1511 3.1511 3.2693 3.2693 3.3663 3.3663 3.4253 3.4253 4.8403 4.8403 7.7293 7.7293 7.8273 7.8273 k = 0.5000 0.2306 0.2462 ( 16968 PWs) bands (ev): -67.9893 -67.9893 -40.0843 -40.0843 -39.1259 -39.1259 -39.0980 -39.0980 -21.0117 -21.0117 -21.0114 -21.0114 -10.7134 -10.7134 -10.6160 -10.6160 -10.3594 -10.3594 -10.2676 -10.2676 -6.3463 -6.3463 -6.2759 -6.2759 -5.7509 -5.7509 -5.6979 -5.6979 -5.2635 -5.2635 -5.1647 -5.1647 0.4846 0.4846 0.5759 0.5759 1.2289 1.2289 1.3181 1.3181 1.4506 1.4506 1.5200 1.5200 1.5483 1.5483 2.4047 2.4047 2.9164 2.9164 2.9388 2.9388 3.0736 3.0736 3.0820 3.0820 3.1166 3.1166 3.1605 3.1605 3.2698 3.2698 3.3712 3.3712 3.4232 3.4232 4.8300 4.8300 7.7471 7.7471 7.8342 7.8342 k = 0.5000 0.2306 0.2189 ( 16974 PWs) bands (ev): -67.9894 -67.9894 -40.0844 -40.0844 -39.1259 -39.1259 -39.0980 -39.0980 -21.0123 -21.0123 -21.0122 -21.0122 -10.7036 -10.7036 -10.6030 -10.6030 -10.3482 -10.3482 -10.2540 -10.2540 -6.3695 -6.3695 -6.3052 -6.3052 -5.7814 -5.7814 -5.7270 -5.7270 -5.2664 -5.2664 -5.1737 -5.1737 0.4867 0.4867 0.5848 0.5848 1.2628 1.2628 1.3475 1.3475 1.4500 1.4500 1.5065 1.5065 1.5353 1.5353 2.4163 2.4163 2.9588 2.9588 2.9797 2.9797 3.1010 3.1010 3.1124 3.1124 3.1245 3.1245 3.1777 3.1777 3.2703 3.2703 3.3760 3.3760 3.4215 3.4215 4.8202 4.8202 7.7642 7.7642 7.8401 7.8401 k = 0.5000 0.2306 0.1915 ( 16962 PWs) bands (ev): -67.9892 -67.9892 -40.0843 -40.0843 -39.1258 -39.1258 -39.0980 -39.0980 -21.0129 -21.0129 -21.0128 -21.0128 -10.6947 -10.6947 -10.5912 -10.5912 -10.3382 -10.3382 -10.2418 -10.2418 -6.3903 -6.3903 -6.3316 -6.3316 -5.8086 -5.8086 -5.7530 -5.7530 -5.2686 -5.2686 -5.1817 -5.1817 0.4885 0.4885 0.5928 0.5928 1.2929 1.2929 1.3735 1.3735 1.4505 1.4505 1.4944 1.4944 1.5238 1.5238 2.4268 2.4268 2.9968 2.9968 3.0163 3.0163 3.1105 3.1105 3.1166 3.1166 3.1610 3.1610 3.2026 3.2026 3.2725 3.2725 3.3805 3.3805 3.4213 3.4213 4.8112 4.8112 7.7800 7.7800 7.8449 7.8449 k = 0.5000 0.2306 0.1642 ( 16954 PWs) bands (ev): -67.9890 -67.9890 -40.0843 -40.0843 -39.1258 -39.1258 -39.0979 -39.0979 -21.0134 -21.0134 -21.0134 -21.0134 -10.6869 -10.6869 -10.5808 -10.5808 -10.3293 -10.3293 -10.2309 -10.2309 -6.4085 -6.4085 -6.3549 -6.3549 -5.8324 -5.8324 -5.7758 -5.7758 -5.2704 -5.2704 -5.1887 -5.1887 0.4901 0.4901 0.5999 0.5999 1.3188 1.3188 1.3957 1.3957 1.4527 1.4527 1.4838 1.4838 1.5138 1.5138 2.4360 2.4360 3.0300 3.0300 3.0484 3.0484 3.1092 3.1092 3.1226 3.1226 3.1937 3.1937 3.2277 3.2277 3.2759 3.2759 3.3851 3.3851 3.4225 3.4225 4.8030 4.8030 7.7932 7.7932 7.8470 7.8470 k = 0.5000 0.2306 0.1368 ( 16966 PWs) bands (ev): -67.9893 -67.9893 -40.0843 -40.0843 -39.1259 -39.1259 -39.0980 -39.0980 -21.0139 -21.0139 -21.0138 -21.0138 -10.6802 -10.6802 -10.5718 -10.5718 -10.3216 -10.3216 -10.2215 -10.2215 -6.4241 -6.4241 -6.3751 -6.3751 -5.8529 -5.8529 -5.7953 -5.7953 -5.2716 -5.2716 -5.1947 -5.1947 0.4915 0.4915 0.6060 0.6060 1.3398 1.3398 1.4136 1.4136 1.4569 1.4569 1.4749 1.4749 1.5053 1.5053 2.4440 2.4440 3.0582 3.0582 3.0751 3.0751 3.1084 3.1084 3.1253 3.1253 3.2199 3.2199 3.2474 3.2474 3.2833 3.2833 3.3874 3.3874 3.4236 3.4236 4.7958 4.7958 7.8003 7.8003 7.8338 7.8338 k = 0.5000 0.2306 0.1094 ( 16966 PWs) bands (ev): -67.9893 -67.9893 -40.0843 -40.0843 -39.1259 -39.1259 -39.0980 -39.0980 -21.0144 -21.0144 -21.0142 -21.0142 -10.6746 -10.6746 -10.5643 -10.5643 -10.3152 -10.3152 -10.2137 -10.2137 -6.4370 -6.4370 -6.3919 -6.3919 -5.8697 -5.8697 -5.8114 -5.8114 -5.2725 -5.2725 -5.1997 -5.1997 0.4927 0.4927 0.6111 0.6111 1.3558 1.3558 1.4271 1.4271 1.4630 1.4630 1.4680 1.4680 1.4982 1.4982 2.4505 2.4505 3.0807 3.0807 3.0938 3.0938 3.1113 3.1113 3.1283 3.1283 3.2380 3.2380 3.2607 3.2607 3.2960 3.2960 3.3901 3.3901 3.4258 3.4258 4.7896 4.7896 7.7917 7.7917 7.8286 7.8286 k = 0.5000 0.2306 0.0821 ( 16958 PWs) bands (ev): -67.9892 -67.9892 -40.0843 -40.0843 -39.1259 -39.1259 -39.0979 -39.0979 -21.0147 -21.0147 -21.0144 -21.0144 -10.6703 -10.6703 -10.5585 -10.5585 -10.3102 -10.3102 -10.2076 -10.2076 -6.4470 -6.4470 -6.4051 -6.4051 -5.8829 -5.8829 -5.8241 -5.8241 -5.2732 -5.2732 -5.2036 -5.2036 0.4936 0.4936 0.6151 0.6151 1.3669 1.3669 1.4368 1.4368 1.4623 1.4623 1.4709 1.4709 1.4923 1.4923 2.4557 2.4557 3.0943 3.0943 3.1040 3.1040 3.1217 3.1217 3.1315 3.1315 3.2470 3.2470 3.2721 3.2721 3.3100 3.3100 3.3923 3.3923 3.4288 3.4288 4.7847 4.7847 7.7757 7.7757 7.8326 7.8326 k = 0.5000 0.2306 0.0547 ( 16954 PWs) bands (ev): -67.9891 -67.9891 -40.0843 -40.0843 -39.1259 -39.1259 -39.0979 -39.0979 -21.0149 -21.0149 -21.0146 -21.0146 -10.6671 -10.6671 -10.5543 -10.5543 -10.3066 -10.3066 -10.2032 -10.2032 -6.4542 -6.4542 -6.4147 -6.4147 -5.8924 -5.8924 -5.8331 -5.8331 -5.2735 -5.2735 -5.2064 -5.2064 0.4943 0.4943 0.6180 0.6180 1.3738 1.3738 1.4430 1.4430 1.4599 1.4599 1.4773 1.4773 1.4878 1.4878 2.4594 2.4594 3.0967 3.0967 3.1148 3.1148 3.1284 3.1284 3.1383 3.1383 3.2502 3.2502 3.2819 3.2819 3.3214 3.3214 3.3936 3.3936 3.4315 3.4315 4.7812 4.7812 7.7626 7.7626 7.8363 7.8363 k = 0.5000 0.2306 0.0274 ( 16954 PWs) bands (ev): -67.9891 -67.9891 -40.0843 -40.0843 -39.1259 -39.1259 -39.0979 -39.0979 -21.0151 -21.0151 -21.0147 -21.0147 -10.6652 -10.6652 -10.5517 -10.5517 -10.3044 -10.3044 -10.2005 -10.2005 -6.4584 -6.4584 -6.4205 -6.4205 -5.8981 -5.8981 -5.8386 -5.8386 -5.2737 -5.2737 -5.2082 -5.2082 0.4946 0.4946 0.6197 0.6197 1.3775 1.3775 1.4457 1.4457 1.4600 1.4600 1.4815 1.4815 1.4846 1.4846 2.4617 2.4617 3.0971 3.0971 3.1222 3.1222 3.1305 3.1305 3.1451 3.1451 3.2509 3.2509 3.2879 3.2879 3.3286 3.3286 3.3941 3.3941 3.4332 3.4332 4.7790 4.7790 7.7543 7.7543 7.8386 7.8386 k = 0.5000 0.2306-0.0000 ( 16942 PWs) bands (ev): -67.9888 -67.9888 -40.0843 -40.0843 -39.1258 -39.1258 -39.0978 -39.0978 -21.0151 -21.0151 -21.0148 -21.0148 -10.6646 -10.6646 -10.5508 -10.5508 -10.3036 -10.3036 -10.1996 -10.1996 -6.4599 -6.4599 -6.4225 -6.4225 -5.9000 -5.9000 -5.8404 -5.8404 -5.2738 -5.2738 -5.2087 -5.2087 0.4948 0.4948 0.6203 0.6203 1.3786 1.3786 1.4462 1.4462 1.4606 1.4606 1.4828 1.4828 1.4837 1.4837 2.4624 2.4624 3.0973 3.0973 3.1247 3.1247 3.1320 3.1320 3.1477 3.1477 3.2514 3.2514 3.2901 3.2901 3.3310 3.3310 3.3947 3.3947 3.4342 3.4342 4.7783 4.7783 7.7516 7.7516 7.8393 7.8393 k = 0.0000 0.0000 1.1940 ( 17036 PWs) bands (ev): -67.9905 -67.9905 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0895 -11.0895 -11.0815 -11.0815 -10.7620 -10.7620 -10.7524 -10.7524 -5.5681 -5.5681 -5.4774 -5.4774 -4.5819 -4.5819 -4.5602 -4.5602 -4.2299 -4.2299 -4.2186 -4.2186 0.0112 0.0112 0.1965 0.1965 0.3135 0.3135 0.4598 0.4598 0.8532 0.8532 0.9222 0.9222 1.0694 1.0694 1.0778 1.0778 1.8379 1.8379 2.0363 2.0363 2.2579 2.2579 2.3365 2.3365 3.1047 3.1047 3.1806 3.1806 3.2981 3.2981 3.3362 3.3362 3.4460 3.4460 4.9632 4.9632 7.2006 7.2006 7.6860 7.6860 k = 0.0250 0.0115 1.1940 ( 17036 PWs) bands (ev): -67.9905 -67.9905 -40.0846 -40.0846 -39.1260 -39.1260 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0894 -11.0894 -11.0815 -11.0815 -10.7619 -10.7619 -10.7525 -10.7525 -5.5681 -5.5681 -5.4774 -5.4774 -4.5819 -4.5819 -4.5602 -4.5602 -4.2299 -4.2299 -4.2186 -4.2186 0.0113 0.0113 0.1964 0.1964 0.3142 0.3142 0.4588 0.4588 0.8535 0.8535 0.9220 0.9220 1.0694 1.0694 1.0778 1.0778 1.8393 1.8393 2.0352 2.0352 2.2579 2.2579 2.3365 2.3365 3.1044 3.1044 3.1817 3.1817 3.2984 3.2984 3.3364 3.3364 3.4446 3.4446 4.9632 4.9632 7.2035 7.2035 7.6830 7.6830 k = 0.0500 0.0231 1.1940 ( 17038 PWs) bands (ev): -67.9906 -67.9906 -40.0846 -40.0846 -39.1260 -39.1260 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0893 -11.0893 -11.0817 -11.0817 -10.7617 -10.7617 -10.7527 -10.7527 -5.5681 -5.5681 -5.4774 -5.4774 -4.5819 -4.5819 -4.5602 -4.5602 -4.2299 -4.2299 -4.2186 -4.2186 0.0115 0.0115 0.1961 0.1961 0.3165 0.3165 0.4557 0.4557 0.8545 0.8545 0.9211 0.9211 1.0693 1.0693 1.0778 1.0778 1.8435 1.8435 2.0319 2.0319 2.2579 2.2579 2.3365 2.3365 3.1043 3.1043 3.1821 3.1821 3.3001 3.3001 3.3368 3.3368 3.4410 3.4410 4.9633 4.9633 7.2123 7.2123 7.6739 7.6739 k = 0.0750 0.0346 1.1940 ( 17034 PWs) bands (ev): -67.9905 -67.9905 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0891 -11.0891 -11.0819 -11.0819 -10.7614 -10.7614 -10.7529 -10.7529 -5.5681 -5.5681 -5.4774 -5.4774 -4.5819 -4.5819 -4.5602 -4.5602 -4.2299 -4.2299 -4.2185 -4.2185 0.0118 0.0118 0.1957 0.1957 0.3204 0.3204 0.4506 0.4506 0.8560 0.8560 0.9198 0.9198 1.0693 1.0693 1.0778 1.0778 1.8503 1.8503 2.0268 2.0268 2.2579 2.2579 2.3365 2.3365 3.1049 3.1049 3.1825 3.1825 3.3023 3.3023 3.3378 3.3378 3.4363 3.4363 4.9634 4.9634 7.2266 7.2266 7.6589 7.6589 k = 0.1000 0.0461 1.1940 ( 17038 PWs) bands (ev): -67.9906 -67.9906 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0888 -11.0888 -11.0822 -11.0822 -10.7610 -10.7610 -10.7533 -10.7533 -5.5681 -5.5681 -5.4774 -5.4774 -4.5819 -4.5819 -4.5602 -4.5602 -4.2299 -4.2299 -4.2185 -4.2185 0.0122 0.0122 0.1951 0.1951 0.3256 0.3256 0.4438 0.4438 0.8581 0.8581 0.9180 0.9180 1.0693 1.0693 1.0778 1.0778 1.8595 1.8595 2.0195 2.0195 2.2579 2.2579 2.3365 2.3365 3.1050 3.1050 3.1826 3.1826 3.3058 3.3058 3.3384 3.3384 3.4293 3.4293 4.9635 4.9635 7.2462 7.2462 7.6386 7.6386 k = 0.1250 0.0576 1.1940 ( 17040 PWs) bands (ev): -67.9906 -67.9906 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0884 -11.0884 -11.0827 -11.0827 -10.7606 -10.7606 -10.7538 -10.7538 -5.5681 -5.5681 -5.4774 -5.4774 -4.5819 -4.5819 -4.5601 -4.5601 -4.2299 -4.2299 -4.2185 -4.2185 0.0127 0.0127 0.1945 0.1945 0.3323 0.3323 0.4355 0.4355 0.8605 0.8605 0.9158 0.9158 1.0693 1.0693 1.0778 1.0778 1.8708 1.8708 2.0105 2.0105 2.2578 2.2578 2.3365 2.3365 3.1052 3.1052 3.1821 3.1821 3.3104 3.3104 3.3394 3.3394 3.4217 3.4217 4.9635 4.9635 7.2705 7.2705 7.6135 7.6135 k = 0.1500 0.0692 1.1940 ( 17036 PWs) bands (ev): -67.9905 -67.9905 -40.0846 -40.0846 -39.1261 -39.1261 -39.0983 -39.0983 -20.9838 -20.9838 -20.9781 -20.9781 -11.0879 -11.0879 -11.0831 -11.0831 -10.7600 -10.7600 -10.7543 -10.7543 -5.5681 -5.5681 -5.4774 -5.4774 -4.5820 -4.5820 -4.5601 -4.5601 -4.2299 -4.2299 -4.2185 -4.2185 0.0132 0.0132 0.1939 0.1939 0.3402 0.3402 0.4259 0.4259 0.8631 0.8631 0.9135 0.9135 1.0693 1.0693 1.0778 1.0778 1.8838 1.8838 1.9998 1.9998 2.2578 2.2578 2.3365 2.3365 3.1054 3.1054 3.1822 3.1822 3.3155 3.3155 3.3412 3.3412 3.4136 3.4136 4.9636 4.9636 7.2990 7.2990 7.5842 7.5842 k = 0.1750 0.0807 1.1940 ( 17044 PWs) bands (ev): -67.9907 -67.9907 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0874 -11.0874 -11.0837 -11.0837 -10.7594 -10.7594 -10.7549 -10.7549 -5.5681 -5.5681 -5.4774 -5.4774 -4.5820 -4.5820 -4.5601 -4.5601 -4.2299 -4.2299 -4.2185 -4.2185 0.0136 0.0136 0.1933 0.1933 0.3492 0.3492 0.4154 0.4154 0.8657 0.8657 0.9111 0.9111 1.0693 1.0693 1.0778 1.0778 1.8980 1.8980 1.9876 1.9876 2.2577 2.2577 2.3365 2.3365 3.1054 3.1054 3.1817 3.1817 3.3197 3.3197 3.3436 3.3436 3.4041 3.4041 4.9637 4.9637 7.3309 7.3309 7.5515 7.5515 k = 0.2000 0.0922 1.1940 ( 17044 PWs) bands (ev): -67.9907 -67.9907 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0869 -11.0869 -11.0842 -11.0842 -10.7587 -10.7587 -10.7556 -10.7556 -5.5681 -5.5681 -5.4774 -5.4774 -4.5820 -4.5820 -4.5601 -4.5601 -4.2299 -4.2299 -4.2185 -4.2185 0.0139 0.0139 0.1928 0.1928 0.3591 0.3591 0.4042 0.4042 0.8680 0.8680 0.9090 0.9090 1.0693 1.0693 1.0778 1.0778 1.9132 1.9132 1.9740 1.9740 2.2577 2.2577 2.3365 2.3365 3.1056 3.1056 3.1817 3.1817 3.3230 3.3230 3.3477 3.3477 3.3951 3.3951 4.9637 4.9637 7.3655 7.3655 7.5163 7.5163 k = 0.2250 0.1038 1.1940 ( 17044 PWs) bands (ev): -67.9907 -67.9907 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0863 -11.0863 -11.0848 -11.0848 -10.7580 -10.7580 -10.7562 -10.7562 -5.5681 -5.5681 -5.4774 -5.4774 -4.5820 -4.5820 -4.5601 -4.5601 -4.2299 -4.2299 -4.2185 -4.2185 0.0141 0.0141 0.1925 0.1925 0.3699 0.3699 0.3927 0.3927 0.8696 0.8696 0.9076 0.9076 1.0693 1.0693 1.0778 1.0778 1.9288 1.9288 1.9595 1.9595 2.2576 2.2576 2.3365 2.3365 3.1052 3.1052 3.1826 3.1826 3.3242 3.3242 3.3515 3.3515 3.3890 3.3890 4.9637 4.9637 7.4015 7.4015 7.4800 7.4800 k = 0.2500 0.1153 1.1940 ( 17040 PWs) bands (ev): -67.9906 -67.9906 -40.0846 -40.0846 -39.1261 -39.1261 -39.0984 -39.0984 -20.9838 -20.9838 -20.9781 -20.9781 -11.0860 -11.0860 -11.0851 -11.0851 -10.7576 -10.7576 -10.7566 -10.7566 -5.5681 -5.5681 -5.4774 -5.4774 -4.5820 -4.5820 -4.5601 -4.5601 -4.2299 -4.2299 -4.2185 -4.2185 0.0142 0.0142 0.1924 0.1924 0.3804 0.3804 0.3819 0.3819 0.8702 0.8702 0.9070 0.9070 1.0692 1.0692 1.0779 1.0779 1.9443 1.9443 1.9443 1.9443 2.2576 2.2576 2.3365 2.3365 3.1053 3.1053 3.1836 3.1836 3.3247 3.3247 3.3528 3.3528 3.3865 3.3865 4.9637 4.9637 7.4301 7.4301 7.4512 7.4512 Writing output data file Rb2CrCl4.save init_run : 0.46s CPU 0.62s WALL ( 1 calls) electrons : 630.71s CPU 635.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 630.70s CPU 635.26s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.10s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.17s WALL ( 272 calls) cegterg : 564.20s CPU 567.68s WALL ( 417 calls) Called by sum_band: Called by *egterg: h_psi : 488.56s CPU 491.89s WALL ( 6292 calls) s_psi : 11.94s CPU 12.05s WALL ( 6292 calls) g_psi : 0.49s CPU 0.47s WALL ( 5603 calls) cdiaghg : 79.55s CPU 79.90s WALL ( 5875 calls) cegterg:over : 16.35s CPU 16.30s WALL ( 5603 calls) cegterg:upda : 12.25s CPU 12.48s WALL ( 5603 calls) cegterg:last : 8.06s CPU 8.01s WALL ( 961 calls) cdiaghg:chol : 3.30s CPU 3.55s WALL ( 5875 calls) cdiaghg:inve : 2.29s CPU 2.34s WALL ( 5875 calls) cdiaghg:para : 4.44s CPU 4.42s WALL ( 11750 calls) Called by h_psi: h_psi:vloc : 459.62s CPU 462.95s WALL ( 6292 calls) h_psi:vnl : 28.44s CPU 28.44s WALL ( 6292 calls) add_vuspsi : 14.80s CPU 14.83s WALL ( 6292 calls) General routines calbec : 13.58s CPU 13.59s WALL ( 6292 calls) fft : 0.02s CPU 0.02s WALL ( 15 calls) fftw : 439.95s CPU 443.25s WALL ( 814488 calls) davcio : 0.25s CPU 0.44s WALL ( 544 calls) Parallel routines fft_scatter : 173.09s CPU 174.09s WALL ( 814503 calls) PWSCF : 11m30.56s CPU 11m57.93s WALL This run was terminated on: 9:36:39 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=