Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9: 5:17 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: ./Rb.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 67 36 10 1612 632 100 Max 68 37 11 1614 650 103 Sum 4847 2615 763 116125 46179 7307 bravais-lattice index = 14 lattice parameter (alat) = 22.2640 a.u. unit-cell volume = 1650.0377 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 35.0000 Ry charge density cutoff = 259.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 22.264044 celldm(2)= 0.871828 celldm(3)= 0.544831 celldm(4)= 0.059921 celldm(5)= 0.492590 celldm(6)= 0.839181 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.731622 0.474145 0.000000 ) a(3) = ( 0.268378 -0.354088 0.315334 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.543033 -2.583764 ) b(2) = ( 0.000000 2.109059 2.368261 ) b(3) = ( 0.000000 0.000000 3.171244 ) PseudoPot. # 1 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 Rb 9.00 85.46780 Rb( 1.00) 2 Sym. Ops., with inversion, found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0600286 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.1576668 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 342 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 2) = ( 0.0192308 -0.0296737 0.0112977), wk = 0.0029240 k( 3) = ( 0.0384615 -0.0593474 0.0225954), wk = 0.0029240 k( 4) = ( 0.0576923 -0.0890211 0.0338931), wk = 0.0029240 k( 5) = ( 0.0769231 -0.1186948 0.0451908), wk = 0.0029240 k( 6) = ( 0.0961538 -0.1483686 0.0564884), wk = 0.0029240 k( 7) = ( 0.1153846 -0.1780423 0.0677861), wk = 0.0029240 k( 8) = ( 0.1346154 -0.2077160 0.0790838), wk = 0.0029240 k( 9) = ( 0.1538461 -0.2373897 0.0903815), wk = 0.0029240 k( 10) = ( 0.1730769 -0.2670634 0.1016792), wk = 0.0029240 k( 11) = ( 0.1923077 -0.2967371 0.1129769), wk = 0.0029240 k( 12) = ( 0.2115385 -0.3264108 0.1242746), wk = 0.0029240 k( 13) = ( 0.2307692 -0.3560845 0.1355722), wk = 0.0029240 k( 14) = ( 0.2500000 -0.3857582 0.1468699), wk = 0.0029240 k( 15) = ( 0.2692308 -0.4154320 0.1581676), wk = 0.0029240 k( 16) = ( 0.2884615 -0.4451057 0.1694653), wk = 0.0029240 k( 17) = ( 0.3076923 -0.4747794 0.1807630), wk = 0.0029240 k( 18) = ( 0.3269231 -0.5044531 0.1920607), wk = 0.0029240 k( 19) = ( 0.3461538 -0.5341268 0.2033584), wk = 0.0029240 k( 20) = ( 0.3653846 -0.5638005 0.2146561), wk = 0.0029240 k( 21) = ( 0.3846154 -0.5934742 0.2259537), wk = 0.0029240 k( 22) = ( 0.4038462 -0.6231479 0.2372514), wk = 0.0029240 k( 23) = ( 0.4230769 -0.6528216 0.2485491), wk = 0.0029240 k( 24) = ( 0.4423077 -0.6824953 0.2598468), wk = 0.0029240 k( 25) = ( 0.4615385 -0.7121691 0.2711445), wk = 0.0029240 k( 26) = ( 0.4807692 -0.7418428 0.2824422), wk = 0.0029240 k( 27) = ( 0.5000000 -0.7715165 0.2937399), wk = 0.0029240 k( 28) = ( 0.5000000 -0.7715165 0.2937399), wk = 0.0029240 k( 29) = ( 0.5312500 -0.7538282 0.2870054), wk = 0.0029240 k( 30) = ( 0.5625000 -0.7361399 0.2802709), wk = 0.0029240 k( 31) = ( 0.5937500 -0.7184516 0.2735364), wk = 0.0029240 k( 32) = ( 0.6250000 -0.7007633 0.2668020), wk = 0.0029240 k( 33) = ( 0.6562500 -0.6830750 0.2600675), wk = 0.0029240 k( 34) = ( 0.6875000 -0.6653867 0.2533330), wk = 0.0029240 k( 35) = ( 0.7187500 -0.6476984 0.2465985), wk = 0.0029240 k( 36) = ( 0.7500000 -0.6300101 0.2398641), wk = 0.0029240 k( 37) = ( 0.7812500 -0.6123218 0.2331296), wk = 0.0029240 k( 38) = ( 0.8125000 -0.5946335 0.2263951), wk = 0.0029240 k( 39) = ( 0.8437500 -0.5769452 0.2196606), wk = 0.0029240 k( 40) = ( 0.8750000 -0.5592569 0.2129262), wk = 0.0029240 k( 41) = ( 0.9062500 -0.5415686 0.2061917), wk = 0.0029240 k( 42) = ( 0.9375000 -0.5238803 0.1994572), wk = 0.0029240 k( 43) = ( 0.9687500 -0.5061920 0.1927227), wk = 0.0029240 k( 44) = ( 1.0000000 -0.4885037 0.1859882), wk = 0.0029240 k( 45) = ( 1.0000000 -0.4885037 0.1859882), wk = 0.0029240 k( 46) = ( 0.9807692 -0.4588299 0.1746906), wk = 0.0029240 k( 47) = ( 0.9615385 -0.4291562 0.1633929), wk = 0.0029240 k( 48) = ( 0.9423077 -0.3994825 0.1520952), wk = 0.0029240 k( 49) = ( 0.9230769 -0.3698088 0.1407975), wk = 0.0029240 k( 50) = ( 0.9038462 -0.3401351 0.1294998), wk = 0.0029240 k( 51) = ( 0.8846154 -0.3104614 0.1182021), wk = 0.0029240 k( 52) = ( 0.8653846 -0.2807877 0.1069044), wk = 0.0029240 k( 53) = ( 0.8461538 -0.2511140 0.0956068), wk = 0.0029240 k( 54) = ( 0.8269231 -0.2214403 0.0843091), wk = 0.0029240 k( 55) = ( 0.8076923 -0.1917666 0.0730114), wk = 0.0029240 k( 56) = ( 0.7884615 -0.1620928 0.0617137), wk = 0.0029240 k( 57) = ( 0.7692308 -0.1324191 0.0504160), wk = 0.0029240 k( 58) = ( 0.7500000 -0.1027454 0.0391183), wk = 0.0029240 k( 59) = ( 0.7307692 -0.0730717 0.0278206), wk = 0.0029240 k( 60) = ( 0.7115385 -0.0433980 0.0165229), wk = 0.0029240 k( 61) = ( 0.6923077 -0.0137243 0.0052253), wk = 0.0029240 k( 62) = ( 0.6730769 0.0159494 -0.0060724), wk = 0.0029240 k( 63) = ( 0.6538462 0.0456231 -0.0173701), wk = 0.0029240 k( 64) = ( 0.6346154 0.0752969 -0.0286678), wk = 0.0029240 k( 65) = ( 0.6153846 0.1049705 -0.0399655), wk = 0.0029240 k( 66) = ( 0.5961538 0.1346443 -0.0512632), wk = 0.0029240 k( 67) = ( 0.5769231 0.1643180 -0.0625609), wk = 0.0029240 k( 68) = ( 0.5576923 0.1939917 -0.0738586), wk = 0.0029240 k( 69) = ( 0.5384615 0.2236654 -0.0851562), wk = 0.0029240 k( 70) = ( 0.5192308 0.2533391 -0.0964539), wk = 0.0029240 k( 71) = ( 0.5000000 0.2830128 -0.1077516), wk = 0.0029240 k( 72) = ( 0.5000000 0.2830128 -0.1077516), wk = 0.0029240 k( 73) = ( 0.4687500 0.2653245 -0.1010171), wk = 0.0029240 k( 74) = ( 0.4375000 0.2476362 -0.0942827), wk = 0.0029240 k( 75) = ( 0.4062500 0.2299479 -0.0875482), wk = 0.0029240 k( 76) = ( 0.3750000 0.2122596 -0.0808137), wk = 0.0029240 k( 77) = ( 0.3437500 0.1945713 -0.0740792), wk = 0.0029240 k( 78) = ( 0.3125000 0.1768830 -0.0673448), wk = 0.0029240 k( 79) = ( 0.2812500 0.1591947 -0.0606103), wk = 0.0029240 k( 80) = ( 0.2500000 0.1415064 -0.0538758), wk = 0.0029240 k( 81) = ( 0.2187500 0.1238181 -0.0471413), wk = 0.0029240 k( 82) = ( 0.1875000 0.1061298 -0.0404069), wk = 0.0029240 k( 83) = ( 0.1562500 0.0884415 -0.0336724), wk = 0.0029240 k( 84) = ( 0.1250000 0.0707532 -0.0269379), wk = 0.0029240 k( 85) = ( 0.0937500 0.0530649 -0.0202034), wk = 0.0029240 k( 86) = ( 0.0625000 0.0353766 -0.0134690), wk = 0.0029240 k( 87) = ( 0.0312500 0.0176883 -0.0067345), wk = 0.0029240 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 90) = ( 0.0000000 0.0131238 0.0344701), wk = 0.0029240 k( 91) = ( 0.0000000 0.0262476 0.0689401), wk = 0.0029240 k( 92) = ( 0.0000000 0.0393714 0.1034102), wk = 0.0029240 k( 93) = ( 0.0000000 0.0524952 0.1378802), wk = 0.0029240 k( 94) = ( 0.0000000 0.0656190 0.1723502), wk = 0.0029240 k( 95) = ( 0.0000000 0.0787428 0.2068202), wk = 0.0029240 k( 96) = ( 0.0000000 0.0918666 0.2412903), wk = 0.0029240 k( 97) = ( 0.0000000 0.1049904 0.2757603), wk = 0.0029240 k( 98) = ( 0.0000000 0.1181142 0.3102304), wk = 0.0029240 k( 99) = ( 0.0000000 0.1312380 0.3447004), wk = 0.0029240 k( 100) = ( 0.0000000 0.1443618 0.3791705), wk = 0.0029240 k( 101) = ( 0.0000000 0.1574856 0.4136405), wk = 0.0029240 k( 102) = ( 0.0000000 0.1706094 0.4481106), wk = 0.0029240 k( 103) = ( 0.0000000 0.1837332 0.4825806), wk = 0.0029240 k( 104) = ( 0.0000000 0.1968570 0.5170506), wk = 0.0029240 k( 105) = ( 0.0000000 0.2099808 0.5515207), wk = 0.0029240 k( 106) = ( 0.0000000 0.2231045 0.5859907), wk = 0.0029240 k( 107) = ( 0.0000000 0.2362284 0.6204608), wk = 0.0029240 k( 108) = ( 0.0000000 0.2493521 0.6549308), wk = 0.0029240 k( 109) = ( 0.0000000 0.2624759 0.6894009), wk = 0.0029240 k( 110) = ( 0.0000000 0.2755997 0.7238709), wk = 0.0029240 k( 111) = ( 0.0000000 0.2887235 0.7583410), wk = 0.0029240 k( 112) = ( 0.0000000 0.3018473 0.7928110), wk = 0.0029240 k( 113) = ( 0.0000000 0.3149711 0.8272810), wk = 0.0029240 k( 114) = ( 0.0000000 0.3280949 0.8617511), wk = 0.0029240 k( 115) = ( 0.0000000 0.3412187 0.8962211), wk = 0.0029240 k( 116) = ( 0.0000000 0.3543425 0.9306912), wk = 0.0029240 k( 117) = ( 0.0000000 0.3674663 0.9651612), wk = 0.0029240 k( 118) = ( 0.0000000 0.3805901 0.9996313), wk = 0.0029240 k( 119) = ( 0.0000000 0.3937139 1.0341013), wk = 0.0029240 k( 120) = ( 0.0000000 0.4068377 1.0685713), wk = 0.0029240 k( 121) = ( 0.0000000 0.4199615 1.1030414), wk = 0.0029240 k( 122) = ( 0.0000000 0.4330853 1.1375114), wk = 0.0029240 k( 123) = ( 0.0000000 0.4462091 1.1719815), wk = 0.0029240 k( 124) = ( 0.0000000 0.4593329 1.2064515), wk = 0.0029240 k( 125) = ( 0.0000000 0.4724567 1.2409216), wk = 0.0029240 k( 126) = ( 0.0000000 0.4855805 1.2753916), wk = 0.0029240 k( 127) = ( 0.0000000 0.4987043 1.3098617), wk = 0.0029240 k( 128) = ( 0.0000000 0.5118281 1.3443317), wk = 0.0029240 k( 129) = ( 0.0000000 0.5249519 1.3788017), wk = 0.0029240 k( 130) = ( 0.0000000 0.5380757 1.4132718), wk = 0.0029240 k( 131) = ( 0.0000000 0.5511995 1.4477418), wk = 0.0029240 k( 132) = ( 0.0000000 0.5643233 1.4822118), wk = 0.0029240 k( 133) = ( 0.0000000 0.5774471 1.5166819), wk = 0.0029240 k( 134) = ( 0.0000000 0.5905709 1.5511520), wk = 0.0029240 k( 135) = ( 0.0000000 0.6036947 1.5856220), wk = 0.0029240 k( 136) = ( 0.0000000 0.6036947 1.5856220), wk = 0.0029240 k( 137) = ( 0.0178571 0.5721464 1.5856220), wk = 0.0029240 k( 138) = ( 0.0357143 0.5405981 1.5856220), wk = 0.0029240 k( 139) = ( 0.0535714 0.5090498 1.5856220), wk = 0.0029240 k( 140) = ( 0.0714286 0.4775015 1.5856220), wk = 0.0029240 k( 141) = ( 0.0892857 0.4459532 1.5856220), wk = 0.0029240 k( 142) = ( 0.1071429 0.4144049 1.5856220), wk = 0.0029240 k( 143) = ( 0.1250000 0.3828566 1.5856220), wk = 0.0029240 k( 144) = ( 0.1428571 0.3513083 1.5856220), wk = 0.0029240 k( 145) = ( 0.1607143 0.3197600 1.5856220), wk = 0.0029240 k( 146) = ( 0.1785714 0.2882117 1.5856220), wk = 0.0029240 k( 147) = ( 0.1964286 0.2566635 1.5856220), wk = 0.0029240 k( 148) = ( 0.2142857 0.2251152 1.5856220), wk = 0.0029240 k( 149) = ( 0.2321429 0.1935669 1.5856220), wk = 0.0029240 k( 150) = ( 0.2500000 0.1620186 1.5856220), wk = 0.0029240 k( 151) = ( 0.2678571 0.1304703 1.5856220), wk = 0.0029240 k( 152) = ( 0.2857143 0.0989220 1.5856220), wk = 0.0029240 k( 153) = ( 0.3035714 0.0673737 1.5856220), wk = 0.0029240 k( 154) = ( 0.3214286 0.0358254 1.5856220), wk = 0.0029240 k( 155) = ( 0.3392857 0.0042771 1.5856220), wk = 0.0029240 k( 156) = ( 0.3571429 -0.0272712 1.5856220), wk = 0.0029240 k( 157) = ( 0.3750000 -0.0588195 1.5856220), wk = 0.0029240 k( 158) = ( 0.3928571 -0.0903678 1.5856220), wk = 0.0029240 k( 159) = ( 0.4107143 -0.1219161 1.5856220), wk = 0.0029240 k( 160) = ( 0.4285714 -0.1534644 1.5856220), wk = 0.0029240 k( 161) = ( 0.4464286 -0.1850127 1.5856220), wk = 0.0029240 k( 162) = ( 0.4642857 -0.2165609 1.5856220), wk = 0.0029240 k( 163) = ( 0.4821429 -0.2481092 1.5856220), wk = 0.0029240 k( 164) = ( 0.5000000 -0.2796575 1.5856220), wk = 0.0029240 k( 165) = ( 0.5000000 -0.2796575 1.5856220), wk = 0.0029240 k( 166) = ( 0.5000000 -0.2929510 1.5507062), wk = 0.0029240 k( 167) = ( 0.5000000 -0.3062445 1.5157905), wk = 0.0029240 k( 168) = ( 0.5000000 -0.3195380 1.4808748), wk = 0.0029240 k( 169) = ( 0.5000000 -0.3328315 1.4459591), wk = 0.0029240 k( 170) = ( 0.5000000 -0.3461249 1.4110433), wk = 0.0029240 k( 171) = ( 0.5000000 -0.3594184 1.3761276), wk = 0.0029240 k( 172) = ( 0.5000000 -0.3727119 1.3412118), wk = 0.0029240 k( 173) = ( 0.5000000 -0.3860054 1.3062961), wk = 0.0029240 k( 174) = ( 0.5000000 -0.3992989 1.2713804), wk = 0.0029240 k( 175) = ( 0.5000000 -0.4125924 1.2364647), wk = 0.0029240 k( 176) = ( 0.5000000 -0.4258859 1.2015489), wk = 0.0029240 k( 177) = ( 0.5000000 -0.4391794 1.1666332), wk = 0.0029240 k( 178) = ( 0.5000000 -0.4524728 1.1317175), wk = 0.0029240 k( 179) = ( 0.5000000 -0.4657663 1.0968017), wk = 0.0029240 k( 180) = ( 0.5000000 -0.4790598 1.0618860), wk = 0.0029240 k( 181) = ( 0.5000000 -0.4923533 1.0269702), wk = 0.0029240 k( 182) = ( 0.5000000 -0.5056468 0.9920545), wk = 0.0029240 k( 183) = ( 0.5000000 -0.5189403 0.9571388), wk = 0.0029240 k( 184) = ( 0.5000000 -0.5322337 0.9222231), wk = 0.0029240 k( 185) = ( 0.5000000 -0.5455272 0.8873074), wk = 0.0029240 k( 186) = ( 0.5000000 -0.5588207 0.8523916), wk = 0.0029240 k( 187) = ( 0.5000000 -0.5721142 0.8174759), wk = 0.0029240 k( 188) = ( 0.5000000 -0.5854077 0.7825601), wk = 0.0029240 k( 189) = ( 0.5000000 -0.5987012 0.7476444), wk = 0.0029240 k( 190) = ( 0.5000000 -0.6119947 0.7127286), wk = 0.0029240 k( 191) = ( 0.5000000 -0.6252881 0.6778129), wk = 0.0029240 k( 192) = ( 0.5000000 -0.6385816 0.6428972), wk = 0.0029240 k( 193) = ( 0.5000000 -0.6518751 0.6079815), wk = 0.0029240 k( 194) = ( 0.5000000 -0.6651686 0.5730658), wk = 0.0029240 k( 195) = ( 0.5000000 -0.6784621 0.5381500), wk = 0.0029240 k( 196) = ( 0.5000000 -0.6917556 0.5032343), wk = 0.0029240 k( 197) = ( 0.5000000 -0.7050491 0.4683185), wk = 0.0029240 k( 198) = ( 0.5000000 -0.7183425 0.4334028), wk = 0.0029240 k( 199) = ( 0.5000000 -0.7316360 0.3984871), wk = 0.0029240 k( 200) = ( 0.5000000 -0.7449295 0.3635713), wk = 0.0029240 k( 201) = ( 0.5000000 -0.7582230 0.3286556), wk = 0.0029240 k( 202) = ( 0.5000000 -0.7715165 0.2937399), wk = 0.0029240 k( 203) = ( 1.0000000 -0.4885037 0.1859882), wk = 0.0029240 k( 204) = ( 1.0000000 -0.4752438 0.2208156), wk = 0.0029240 k( 205) = ( 1.0000000 -0.4619840 0.2556430), wk = 0.0029240 k( 206) = ( 1.0000000 -0.4487241 0.2904703), wk = 0.0029240 k( 207) = ( 1.0000000 -0.4354643 0.3252977), wk = 0.0029240 k( 208) = ( 1.0000000 -0.4222045 0.3601251), wk = 0.0029240 k( 209) = ( 1.0000000 -0.4089446 0.3949524), wk = 0.0029240 k( 210) = ( 1.0000000 -0.3956848 0.4297798), wk = 0.0029240 k( 211) = ( 1.0000000 -0.3824249 0.4646072), wk = 0.0029240 k( 212) = ( 1.0000000 -0.3691651 0.4994345), wk = 0.0029240 k( 213) = ( 1.0000000 -0.3559052 0.5342619), wk = 0.0029240 k( 214) = ( 1.0000000 -0.3426454 0.5690893), wk = 0.0029240 k( 215) = ( 1.0000000 -0.3293856 0.6039166), wk = 0.0029240 k( 216) = ( 1.0000000 -0.3161257 0.6387440), wk = 0.0029240 k( 217) = ( 1.0000000 -0.3028659 0.6735714), wk = 0.0029240 k( 218) = ( 1.0000000 -0.2896060 0.7083987), wk = 0.0029240 k( 219) = ( 1.0000000 -0.2763462 0.7432261), wk = 0.0029240 k( 220) = ( 1.0000000 -0.2630864 0.7780535), wk = 0.0029240 k( 221) = ( 1.0000000 -0.2498265 0.8128808), wk = 0.0029240 k( 222) = ( 1.0000000 -0.2365667 0.8477082), wk = 0.0029240 k( 223) = ( 1.0000000 -0.2233068 0.8825356), wk = 0.0029240 k( 224) = ( 1.0000000 -0.2100470 0.9173630), wk = 0.0029240 k( 225) = ( 1.0000000 -0.1967871 0.9521904), wk = 0.0029240 k( 226) = ( 1.0000000 -0.1835273 0.9870177), wk = 0.0029240 k( 227) = ( 1.0000000 -0.1702674 1.0218451), wk = 0.0029240 k( 228) = ( 1.0000000 -0.1570076 1.0566725), wk = 0.0029240 k( 229) = ( 1.0000000 -0.1437478 1.0914998), wk = 0.0029240 k( 230) = ( 1.0000000 -0.1304879 1.1263272), wk = 0.0029240 k( 231) = ( 1.0000000 -0.1172281 1.1611546), wk = 0.0029240 k( 232) = ( 1.0000000 -0.1039682 1.1959819), wk = 0.0029240 k( 233) = ( 1.0000000 -0.0907084 1.2308093), wk = 0.0029240 k( 234) = ( 1.0000000 -0.0774486 1.2656367), wk = 0.0029240 k( 235) = ( 1.0000000 -0.0641887 1.3004640), wk = 0.0029240 k( 236) = ( 1.0000000 -0.0509289 1.3352914), wk = 0.0029240 k( 237) = ( 1.0000000 -0.0376690 1.3701188), wk = 0.0029240 k( 238) = ( 0.0000000 0.6036947 1.5856220), wk = 0.0029240 k( 239) = ( 0.0312500 0.6188190 1.5721530), wk = 0.0029240 k( 240) = ( 0.0625000 0.6339433 1.5586841), wk = 0.0029240 k( 241) = ( 0.0937500 0.6490675 1.5452152), wk = 0.0029240 k( 242) = ( 0.1250000 0.6641918 1.5317462), wk = 0.0029240 k( 243) = ( 0.1562500 0.6793161 1.5182772), wk = 0.0029240 k( 244) = ( 0.1875000 0.6944404 1.5048083), wk = 0.0029240 k( 245) = ( 0.2187500 0.7095647 1.4913394), wk = 0.0029240 k( 246) = ( 0.2500000 0.7246889 1.4778704), wk = 0.0029240 k( 247) = ( 0.2812500 0.7398132 1.4644014), wk = 0.0029240 k( 248) = ( 0.3125000 0.7549375 1.4509325), wk = 0.0029240 k( 249) = ( 0.3437500 0.7700618 1.4374635), wk = 0.0029240 k( 250) = ( 0.3750000 0.7851861 1.4239946), wk = 0.0029240 k( 251) = ( 0.4062500 0.8003103 1.4105256), wk = 0.0029240 k( 252) = ( 0.4375000 0.8154346 1.3970567), wk = 0.0029240 k( 253) = ( 0.4687500 0.8305589 1.3835877), wk = 0.0029240 k( 254) = ( 0.5000000 0.8456832 1.3701187), wk = 0.0029240 k( 255) = ( 0.5000000 0.8456832 1.3701187), wk = 0.0029240 k( 256) = ( 0.5000000 0.8325978 1.3357497), wk = 0.0029240 k( 257) = ( 0.5000000 0.8195124 1.3013806), wk = 0.0029240 k( 258) = ( 0.5000000 0.8064271 1.2670116), wk = 0.0029240 k( 259) = ( 0.5000000 0.7933418 1.2326425), wk = 0.0029240 k( 260) = ( 0.5000000 0.7802564 1.1982734), wk = 0.0029240 k( 261) = ( 0.5000000 0.7671710 1.1639043), wk = 0.0029240 k( 262) = ( 0.5000000 0.7540857 1.1295352), wk = 0.0029240 k( 263) = ( 0.5000000 0.7410003 1.0951661), wk = 0.0029240 k( 264) = ( 0.5000000 0.7279150 1.0607971), wk = 0.0029240 k( 265) = ( 0.5000000 0.7148296 1.0264280), wk = 0.0029240 k( 266) = ( 0.5000000 0.7017442 0.9920589), wk = 0.0029240 k( 267) = ( 0.5000000 0.6886589 0.9576898), wk = 0.0029240 k( 268) = ( 0.5000000 0.6755735 0.9233207), wk = 0.0029240 k( 269) = ( 0.5000000 0.6624882 0.8889517), wk = 0.0029240 k( 270) = ( 0.5000000 0.6494028 0.8545826), wk = 0.0029240 k( 271) = ( 0.5000000 0.6363175 0.8202135), wk = 0.0029240 k( 272) = ( 0.5000000 0.6232321 0.7858444), wk = 0.0029240 k( 273) = ( 0.5000000 0.6101467 0.7514754), wk = 0.0029240 k( 274) = ( 0.5000000 0.5970614 0.7171063), wk = 0.0029240 k( 275) = ( 0.5000000 0.5839760 0.6827372), wk = 0.0029240 k( 276) = ( 0.5000000 0.5708907 0.6483681), wk = 0.0029240 k( 277) = ( 0.5000000 0.5578053 0.6139990), wk = 0.0029240 k( 278) = ( 0.5000000 0.5447200 0.5796299), wk = 0.0029240 k( 279) = ( 0.5000000 0.5316346 0.5452609), wk = 0.0029240 k( 280) = ( 0.5000000 0.5185492 0.5108918), wk = 0.0029240 k( 281) = ( 0.5000000 0.5054639 0.4765227), wk = 0.0029240 k( 282) = ( 0.5000000 0.4923785 0.4421537), wk = 0.0029240 k( 283) = ( 0.5000000 0.4792932 0.4077846), wk = 0.0029240 k( 284) = ( 0.5000000 0.4662078 0.3734155), wk = 0.0029240 k( 285) = ( 0.5000000 0.4531225 0.3390464), wk = 0.0029240 k( 286) = ( 0.5000000 0.4400371 0.3046773), wk = 0.0029240 k( 287) = ( 0.5000000 0.4269517 0.2703082), wk = 0.0029240 k( 288) = ( 0.5000000 0.4138664 0.2359392), wk = 0.0029240 k( 289) = ( 0.5000000 0.4007810 0.2015701), wk = 0.0029240 k( 290) = ( 0.5000000 0.3876957 0.1672010), wk = 0.0029240 k( 291) = ( 0.5000000 0.3746103 0.1328319), wk = 0.0029240 k( 292) = ( 0.5000000 0.3615250 0.0984628), wk = 0.0029240 k( 293) = ( 0.5000000 0.3484396 0.0640938), wk = 0.0029240 k( 294) = ( 0.5000000 0.3353543 0.0297247), wk = 0.0029240 k( 295) = ( 0.5000000 0.3222689 -0.0046444), wk = 0.0029240 k( 296) = ( 0.5000000 0.3091835 -0.0390135), wk = 0.0029240 k( 297) = ( 0.5000000 0.2960982 -0.0733825), wk = 0.0029240 k( 298) = ( 0.5000000 0.2830128 -0.1077516), wk = 0.0029240 k( 299) = ( 0.5000000 0.2830128 1.4778704), wk = 0.0029240 k( 300) = ( 0.4883721 0.2764311 1.4435013), wk = 0.0029240 k( 301) = ( 0.4767442 0.2698494 1.4091322), wk = 0.0029240 k( 302) = ( 0.4651163 0.2632677 1.3747631), wk = 0.0029240 k( 303) = ( 0.4534884 0.2566860 1.3403941), wk = 0.0029240 k( 304) = ( 0.4418605 0.2501044 1.3060250), wk = 0.0029240 k( 305) = ( 0.4302326 0.2435227 1.2716559), wk = 0.0029240 k( 306) = ( 0.4186047 0.2369410 1.2372868), wk = 0.0029240 k( 307) = ( 0.4069767 0.2303593 1.2029177), wk = 0.0029240 k( 308) = ( 0.3953488 0.2237776 1.1685487), wk = 0.0029240 k( 309) = ( 0.3837209 0.2171959 1.1341796), wk = 0.0029240 k( 310) = ( 0.3720930 0.2106142 1.0998105), wk = 0.0029240 k( 311) = ( 0.3604651 0.2040325 1.0654414), wk = 0.0029240 k( 312) = ( 0.3488372 0.1974508 1.0310724), wk = 0.0029240 k( 313) = ( 0.3372093 0.1908691 0.9967033), wk = 0.0029240 k( 314) = ( 0.3255814 0.1842874 0.9623342), wk = 0.0029240 k( 315) = ( 0.3139535 0.1777057 0.9279651), wk = 0.0029240 k( 316) = ( 0.3023256 0.1711240 0.8935960), wk = 0.0029240 k( 317) = ( 0.2906977 0.1645423 0.8592270), wk = 0.0029240 k( 318) = ( 0.2790698 0.1579606 0.8248579), wk = 0.0029240 k( 319) = ( 0.2674419 0.1513790 0.7904888), wk = 0.0029240 k( 320) = ( 0.2558140 0.1447973 0.7561197), wk = 0.0029240 k( 321) = ( 0.2441860 0.1382156 0.7217507), wk = 0.0029240 k( 322) = ( 0.2325581 0.1316339 0.6873816), wk = 0.0029240 k( 323) = ( 0.2209302 0.1250522 0.6530125), wk = 0.0029240 k( 324) = ( 0.2093023 0.1184705 0.6186434), wk = 0.0029240 k( 325) = ( 0.1976744 0.1118888 0.5842743), wk = 0.0029240 k( 326) = ( 0.1860465 0.1053071 0.5499053), wk = 0.0029240 k( 327) = ( 0.1744186 0.0987254 0.5155362), wk = 0.0029240 k( 328) = ( 0.1627907 0.0921437 0.4811671), wk = 0.0029240 k( 329) = ( 0.1511628 0.0855620 0.4467980), wk = 0.0029240 k( 330) = ( 0.1395349 0.0789803 0.4124289), wk = 0.0029240 k( 331) = ( 0.1279070 0.0723986 0.3780599), wk = 0.0029240 k( 332) = ( 0.1162791 0.0658169 0.3436908), wk = 0.0029240 k( 333) = ( 0.1046512 0.0592352 0.3093217), wk = 0.0029240 k( 334) = ( 0.0930233 0.0526536 0.2749526), wk = 0.0029240 k( 335) = ( 0.0813954 0.0460719 0.2405836), wk = 0.0029240 k( 336) = ( 0.0697674 0.0394902 0.2062145), wk = 0.0029240 k( 337) = ( 0.0581395 0.0329085 0.1718454), wk = 0.0029240 k( 338) = ( 0.0465116 0.0263268 0.1374763), wk = 0.0029240 k( 339) = ( 0.0348837 0.0197451 0.1031072), wk = 0.0029240 k( 340) = ( 0.0232558 0.0131634 0.0687381), wk = 0.0029240 k( 341) = ( 0.0116279 0.0065817 0.0343691), wk = 0.0029240 k( 342) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 2) = ( 0.0192308 0.0000000 0.0192308), wk = 0.0029240 k( 3) = ( 0.0384615 0.0000000 0.0384615), wk = 0.0029240 k( 4) = ( 0.0576923 0.0000000 0.0576923), wk = 0.0029240 k( 5) = ( 0.0769231 0.0000000 0.0769231), wk = 0.0029240 k( 6) = ( 0.0961538 -0.0000000 0.0961538), wk = 0.0029240 k( 7) = ( 0.1153846 0.0000000 0.1153846), wk = 0.0029240 k( 8) = ( 0.1346154 0.0000000 0.1346154), wk = 0.0029240 k( 9) = ( 0.1538461 0.0000000 0.1538461), wk = 0.0029240 k( 10) = ( 0.1730769 -0.0000000 0.1730769), wk = 0.0029240 k( 11) = ( 0.1923077 0.0000000 0.1923077), wk = 0.0029240 k( 12) = ( 0.2115385 0.0000000 0.2115385), wk = 0.0029240 k( 13) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0029240 k( 14) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0029240 k( 15) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0029240 k( 16) = ( 0.2884615 0.0000000 0.2884615), wk = 0.0029240 k( 17) = ( 0.3076923 -0.0000000 0.3076923), wk = 0.0029240 k( 18) = ( 0.3269231 -0.0000000 0.3269231), wk = 0.0029240 k( 19) = ( 0.3461538 -0.0000000 0.3461538), wk = 0.0029240 k( 20) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0029240 k( 21) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0029240 k( 22) = ( 0.4038462 0.0000000 0.4038461), wk = 0.0029240 k( 23) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0029240 k( 24) = ( 0.4423077 -0.0000000 0.4423077), wk = 0.0029240 k( 25) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0029240 k( 26) = ( 0.4807692 0.0000000 0.4807692), wk = 0.0029240 k( 27) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029240 k( 28) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029240 k( 29) = ( 0.5312500 0.0312500 0.5000000), wk = 0.0029240 k( 30) = ( 0.5625000 0.0625000 0.5000000), wk = 0.0029240 k( 31) = ( 0.5937500 0.0937500 0.5000000), wk = 0.0029240 k( 32) = ( 0.6250000 0.1250000 0.5000000), wk = 0.0029240 k( 33) = ( 0.6562500 0.1562500 0.5000000), wk = 0.0029240 k( 34) = ( 0.6875000 0.1875000 0.5000000), wk = 0.0029240 k( 35) = ( 0.7187500 0.2187500 0.5000000), wk = 0.0029240 k( 36) = ( 0.7500000 0.2500000 0.5000000), wk = 0.0029240 k( 37) = ( 0.7812500 0.2812500 0.5000000), wk = 0.0029240 k( 38) = ( 0.8125000 0.3125000 0.5000000), wk = 0.0029240 k( 39) = ( 0.8437500 0.3437500 0.5000000), wk = 0.0029240 k( 40) = ( 0.8750000 0.3750000 0.5000000), wk = 0.0029240 k( 41) = ( 0.9062500 0.4062500 0.5000000), wk = 0.0029240 k( 42) = ( 0.9375000 0.4375000 0.5000000), wk = 0.0029240 k( 43) = ( 0.9687500 0.4687500 0.5000000), wk = 0.0029240 k( 44) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0029240 k( 45) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0029240 k( 46) = ( 0.9807692 0.5000000 0.4807692), wk = 0.0029240 k( 47) = ( 0.9615385 0.5000000 0.4615385), wk = 0.0029240 k( 48) = ( 0.9423077 0.5000000 0.4423077), wk = 0.0029240 k( 49) = ( 0.9230769 0.5000000 0.4230769), wk = 0.0029240 k( 50) = ( 0.9038462 0.5000000 0.4038461), wk = 0.0029240 k( 51) = ( 0.8846154 0.5000000 0.3846154), wk = 0.0029240 k( 52) = ( 0.8653846 0.5000000 0.3653846), wk = 0.0029240 k( 53) = ( 0.8461538 0.5000000 0.3461538), wk = 0.0029240 k( 54) = ( 0.8269231 0.5000000 0.3269231), wk = 0.0029240 k( 55) = ( 0.8076923 0.5000000 0.3076923), wk = 0.0029240 k( 56) = ( 0.7884615 0.5000000 0.2884615), wk = 0.0029240 k( 57) = ( 0.7692308 0.5000000 0.2692308), wk = 0.0029240 k( 58) = ( 0.7500000 0.5000000 0.2500000), wk = 0.0029240 k( 59) = ( 0.7307692 0.5000000 0.2307692), wk = 0.0029240 k( 60) = ( 0.7115385 0.5000000 0.2115385), wk = 0.0029240 k( 61) = ( 0.6923077 0.5000000 0.1923077), wk = 0.0029240 k( 62) = ( 0.6730769 0.5000000 0.1730769), wk = 0.0029240 k( 63) = ( 0.6538462 0.5000000 0.1538461), wk = 0.0029240 k( 64) = ( 0.6346154 0.5000000 0.1346154), wk = 0.0029240 k( 65) = ( 0.6153846 0.5000000 0.1153846), wk = 0.0029240 k( 66) = ( 0.5961538 0.5000000 0.0961538), wk = 0.0029240 k( 67) = ( 0.5769231 0.5000000 0.0769231), wk = 0.0029240 k( 68) = ( 0.5576923 0.5000000 0.0576923), wk = 0.0029240 k( 69) = ( 0.5384615 0.5000000 0.0384615), wk = 0.0029240 k( 70) = ( 0.5192308 0.5000000 0.0192308), wk = 0.0029240 k( 71) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029240 k( 72) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029240 k( 73) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0029240 k( 74) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0029240 k( 75) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0029240 k( 76) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0029240 k( 77) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0029240 k( 78) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0029240 k( 79) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0029240 k( 80) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029240 k( 81) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0029240 k( 82) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0029240 k( 83) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0029240 k( 84) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0029240 k( 85) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0029240 k( 86) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0029240 k( 87) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0029240 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 90) = ( 0.0000000 0.0062226 0.0062226), wk = 0.0029240 k( 91) = ( 0.0000000 0.0124452 0.0124452), wk = 0.0029240 k( 92) = ( 0.0000000 0.0186678 0.0186678), wk = 0.0029240 k( 93) = ( 0.0000000 0.0248903 0.0248903), wk = 0.0029240 k( 94) = ( 0.0000000 0.0311129 0.0311129), wk = 0.0029240 k( 95) = ( 0.0000000 0.0373355 0.0373355), wk = 0.0029240 k( 96) = ( 0.0000000 0.0435581 0.0435581), wk = 0.0029240 k( 97) = ( 0.0000000 0.0497807 0.0497807), wk = 0.0029240 k( 98) = ( 0.0000000 0.0560033 0.0560033), wk = 0.0029240 k( 99) = ( 0.0000000 0.0622258 0.0622258), wk = 0.0029240 k( 100) = ( 0.0000000 0.0684484 0.0684484), wk = 0.0029240 k( 101) = ( 0.0000000 0.0746710 0.0746710), wk = 0.0029240 k( 102) = ( 0.0000000 0.0808936 0.0808936), wk = 0.0029240 k( 103) = ( 0.0000000 0.0871162 0.0871162), wk = 0.0029240 k( 104) = ( 0.0000000 0.0933388 0.0933388), wk = 0.0029240 k( 105) = ( 0.0000000 0.0995614 0.0995614), wk = 0.0029240 k( 106) = ( 0.0000000 0.1057839 0.1057839), wk = 0.0029240 k( 107) = ( 0.0000000 0.1120065 0.1120065), wk = 0.0029240 k( 108) = ( 0.0000000 0.1182291 0.1182291), wk = 0.0029240 k( 109) = ( 0.0000000 0.1244517 0.1244517), wk = 0.0029240 k( 110) = ( 0.0000000 0.1306743 0.1306743), wk = 0.0029240 k( 111) = ( 0.0000000 0.1368969 0.1368969), wk = 0.0029240 k( 112) = ( 0.0000000 0.1431195 0.1431195), wk = 0.0029240 k( 113) = ( 0.0000000 0.1493421 0.1493420), wk = 0.0029240 k( 114) = ( 0.0000000 0.1555646 0.1555646), wk = 0.0029240 k( 115) = ( 0.0000000 0.1617872 0.1617872), wk = 0.0029240 k( 116) = ( 0.0000000 0.1680098 0.1680098), wk = 0.0029240 k( 117) = ( 0.0000000 0.1742324 0.1742324), wk = 0.0029240 k( 118) = ( 0.0000000 0.1804550 0.1804550), wk = 0.0029240 k( 119) = ( 0.0000000 0.1866776 0.1866776), wk = 0.0029240 k( 120) = ( 0.0000000 0.1929001 0.1929001), wk = 0.0029240 k( 121) = ( 0.0000000 0.1991227 0.1991227), wk = 0.0029240 k( 122) = ( 0.0000000 0.2053453 0.2053453), wk = 0.0029240 k( 123) = ( 0.0000000 0.2115679 0.2115679), wk = 0.0029240 k( 124) = ( 0.0000000 0.2177905 0.2177905), wk = 0.0029240 k( 125) = ( 0.0000000 0.2240131 0.2240131), wk = 0.0029240 k( 126) = ( 0.0000000 0.2302357 0.2302357), wk = 0.0029240 k( 127) = ( 0.0000000 0.2364582 0.2364583), wk = 0.0029240 k( 128) = ( 0.0000000 0.2426808 0.2426808), wk = 0.0029240 k( 129) = ( 0.0000000 0.2489034 0.2489034), wk = 0.0029240 k( 130) = ( 0.0000000 0.2551260 0.2551260), wk = 0.0029240 k( 131) = ( 0.0000000 0.2613486 0.2613486), wk = 0.0029240 k( 132) = ( 0.0000000 0.2675712 0.2675712), wk = 0.0029240 k( 133) = ( 0.0000000 0.2737938 0.2737938), wk = 0.0029240 k( 134) = ( 0.0000000 0.2800164 0.2800163), wk = 0.0029240 k( 135) = ( 0.0000000 0.2862389 0.2862389), wk = 0.0029240 k( 136) = ( 0.0000000 0.2862389 0.2862389), wk = 0.0029240 k( 137) = ( 0.0178571 0.2843451 0.3022023), wk = 0.0029240 k( 138) = ( 0.0357143 0.2824513 0.3181656), wk = 0.0029240 k( 139) = ( 0.0535714 0.2805575 0.3341290), wk = 0.0029240 k( 140) = ( 0.0714286 0.2786637 0.3500923), wk = 0.0029240 k( 141) = ( 0.0892857 0.2767699 0.3660557), wk = 0.0029240 k( 142) = ( 0.1071429 0.2748761 0.3820190), wk = 0.0029240 k( 143) = ( 0.1250000 0.2729823 0.3979823), wk = 0.0029240 k( 144) = ( 0.1428571 0.2710885 0.4139457), wk = 0.0029240 k( 145) = ( 0.1607143 0.2691947 0.4299090), wk = 0.0029240 k( 146) = ( 0.1785714 0.2673009 0.4458724), wk = 0.0029240 k( 147) = ( 0.1964286 0.2654071 0.4618357), wk = 0.0029240 k( 148) = ( 0.2142857 0.2635133 0.4777991), wk = 0.0029240 k( 149) = ( 0.2321429 0.2616195 0.4937624), wk = 0.0029240 k( 150) = ( 0.2500000 0.2597257 0.5097257), wk = 0.0029240 k( 151) = ( 0.2678571 0.2578319 0.5256891), wk = 0.0029240 k( 152) = ( 0.2857143 0.2559381 0.5416524), wk = 0.0029240 k( 153) = ( 0.3035714 0.2540443 0.5576158), wk = 0.0029240 k( 154) = ( 0.3214286 0.2521505 0.5735791), wk = 0.0029240 k( 155) = ( 0.3392857 0.2502567 0.5895425), wk = 0.0029240 k( 156) = ( 0.3571429 0.2483629 0.6055058), wk = 0.0029240 k( 157) = ( 0.3750000 0.2464691 0.6214692), wk = 0.0029240 k( 158) = ( 0.3928571 0.2445753 0.6374325), wk = 0.0029240 k( 159) = ( 0.4107143 0.2426815 0.6533958), wk = 0.0029240 k( 160) = ( 0.4285714 0.2407877 0.6693592), wk = 0.0029240 k( 161) = ( 0.4464286 0.2388939 0.6853225), wk = 0.0029240 k( 162) = ( 0.4642857 0.2370002 0.7012859), wk = 0.0029240 k( 163) = ( 0.4821429 0.2351064 0.7172492), wk = 0.0029240 k( 164) = ( 0.5000000 0.2332126 0.7332126), wk = 0.0029240 k( 165) = ( 0.5000000 0.2332126 0.7332126), wk = 0.0029240 k( 166) = ( 0.5000000 0.2269095 0.7269095), wk = 0.0029240 k( 167) = ( 0.5000000 0.2206065 0.7206065), wk = 0.0029240 k( 168) = ( 0.5000000 0.2143034 0.7143034), wk = 0.0029240 k( 169) = ( 0.5000000 0.2080004 0.7080004), wk = 0.0029240 k( 170) = ( 0.5000000 0.2016973 0.7016973), wk = 0.0029240 k( 171) = ( 0.5000000 0.1953943 0.6953943), wk = 0.0029240 k( 172) = ( 0.5000000 0.1890913 0.6890913), wk = 0.0029240 k( 173) = ( 0.5000000 0.1827882 0.6827882), wk = 0.0029240 k( 174) = ( 0.5000000 0.1764852 0.6764852), wk = 0.0029240 k( 175) = ( 0.5000000 0.1701821 0.6701821), wk = 0.0029240 k( 176) = ( 0.5000000 0.1638791 0.6638791), wk = 0.0029240 k( 177) = ( 0.5000000 0.1575760 0.6575760), wk = 0.0029240 k( 178) = ( 0.5000000 0.1512730 0.6512730), wk = 0.0029240 k( 179) = ( 0.5000000 0.1449700 0.6449700), wk = 0.0029240 k( 180) = ( 0.5000000 0.1386669 0.6386669), wk = 0.0029240 k( 181) = ( 0.5000000 0.1323639 0.6323639), wk = 0.0029240 k( 182) = ( 0.5000000 0.1260608 0.6260608), wk = 0.0029240 k( 183) = ( 0.5000000 0.1197578 0.6197578), wk = 0.0029240 k( 184) = ( 0.5000000 0.1134548 0.6134548), wk = 0.0029240 k( 185) = ( 0.5000000 0.1071517 0.6071517), wk = 0.0029240 k( 186) = ( 0.5000000 0.1008487 0.6008487), wk = 0.0029240 k( 187) = ( 0.5000000 0.0945456 0.5945456), wk = 0.0029240 k( 188) = ( 0.5000000 0.0882426 0.5882426), wk = 0.0029240 k( 189) = ( 0.5000000 0.0819395 0.5819395), wk = 0.0029240 k( 190) = ( 0.5000000 0.0756365 0.5756365), wk = 0.0029240 k( 191) = ( 0.5000000 0.0693335 0.5693335), wk = 0.0029240 k( 192) = ( 0.5000000 0.0630304 0.5630304), wk = 0.0029240 k( 193) = ( 0.5000000 0.0567274 0.5567274), wk = 0.0029240 k( 194) = ( 0.5000000 0.0504243 0.5504243), wk = 0.0029240 k( 195) = ( 0.5000000 0.0441213 0.5441213), wk = 0.0029240 k( 196) = ( 0.5000000 0.0378182 0.5378183), wk = 0.0029240 k( 197) = ( 0.5000000 0.0315152 0.5315152), wk = 0.0029240 k( 198) = ( 0.5000000 0.0252122 0.5252122), wk = 0.0029240 k( 199) = ( 0.5000000 0.0189091 0.5189091), wk = 0.0029240 k( 200) = ( 0.5000000 0.0126061 0.5126061), wk = 0.0029240 k( 201) = ( 0.5000000 0.0063030 0.5063030), wk = 0.0029240 k( 202) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029240 k( 203) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0029240 k( 204) = ( 1.0000000 0.5062871 0.5062871), wk = 0.0029240 k( 205) = ( 1.0000000 0.5125742 0.5125742), wk = 0.0029240 k( 206) = ( 1.0000000 0.5188613 0.5188613), wk = 0.0029240 k( 207) = ( 1.0000000 0.5251484 0.5251484), wk = 0.0029240 k( 208) = ( 1.0000000 0.5314354 0.5314355), wk = 0.0029240 k( 209) = ( 1.0000000 0.5377225 0.5377225), wk = 0.0029240 k( 210) = ( 1.0000000 0.5440096 0.5440096), wk = 0.0029240 k( 211) = ( 1.0000000 0.5502967 0.5502967), wk = 0.0029240 k( 212) = ( 1.0000000 0.5565838 0.5565838), wk = 0.0029240 k( 213) = ( 1.0000000 0.5628709 0.5628709), wk = 0.0029240 k( 214) = ( 1.0000000 0.5691580 0.5691580), wk = 0.0029240 k( 215) = ( 1.0000000 0.5754451 0.5754451), wk = 0.0029240 k( 216) = ( 1.0000000 0.5817322 0.5817322), wk = 0.0029240 k( 217) = ( 1.0000000 0.5880193 0.5880193), wk = 0.0029240 k( 218) = ( 1.0000000 0.5943063 0.5943063), wk = 0.0029240 k( 219) = ( 1.0000000 0.6005934 0.6005934), wk = 0.0029240 k( 220) = ( 1.0000000 0.6068805 0.6068805), wk = 0.0029240 k( 221) = ( 1.0000000 0.6131676 0.6131676), wk = 0.0029240 k( 222) = ( 1.0000000 0.6194547 0.6194547), wk = 0.0029240 k( 223) = ( 1.0000000 0.6257418 0.6257418), wk = 0.0029240 k( 224) = ( 1.0000000 0.6320289 0.6320289), wk = 0.0029240 k( 225) = ( 1.0000000 0.6383160 0.6383160), wk = 0.0029240 k( 226) = ( 1.0000000 0.6446031 0.6446031), wk = 0.0029240 k( 227) = ( 1.0000000 0.6508902 0.6508902), wk = 0.0029240 k( 228) = ( 1.0000000 0.6571773 0.6571773), wk = 0.0029240 k( 229) = ( 1.0000000 0.6634644 0.6634644), wk = 0.0029240 k( 230) = ( 1.0000000 0.6697514 0.6697514), wk = 0.0029240 k( 231) = ( 1.0000000 0.6760385 0.6760385), wk = 0.0029240 k( 232) = ( 1.0000000 0.6823256 0.6823256), wk = 0.0029240 k( 233) = ( 1.0000000 0.6886127 0.6886127), wk = 0.0029240 k( 234) = ( 1.0000000 0.6948998 0.6948998), wk = 0.0029240 k( 235) = ( 1.0000000 0.7011869 0.7011869), wk = 0.0029240 k( 236) = ( 1.0000000 0.7074740 0.7074740), wk = 0.0029240 k( 237) = ( 1.0000000 0.7137611 0.7137611), wk = 0.0029240 k( 238) = ( 0.0000000 0.2862389 0.2862389), wk = 0.0029240 k( 239) = ( 0.0312500 0.3162732 0.2850232), wk = 0.0029240 k( 240) = ( 0.0625000 0.3463075 0.2838075), wk = 0.0029240 k( 241) = ( 0.0937500 0.3763418 0.2825918), wk = 0.0029240 k( 242) = ( 0.1250000 0.4063761 0.2813761), wk = 0.0029240 k( 243) = ( 0.1562500 0.4364103 0.2801603), wk = 0.0029240 k( 244) = ( 0.1875000 0.4664446 0.2789446), wk = 0.0029240 k( 245) = ( 0.2187500 0.4964789 0.2777289), wk = 0.0029240 k( 246) = ( 0.2500000 0.5265132 0.2765132), wk = 0.0029240 k( 247) = ( 0.2812500 0.5565475 0.2752975), wk = 0.0029240 k( 248) = ( 0.3125000 0.5865818 0.2740818), wk = 0.0029240 k( 249) = ( 0.3437500 0.6166160 0.2728660), wk = 0.0029240 k( 250) = ( 0.3750000 0.6466503 0.2716503), wk = 0.0029240 k( 251) = ( 0.4062500 0.6766846 0.2704346), wk = 0.0029240 k( 252) = ( 0.4375000 0.7067189 0.2692189), wk = 0.0029240 k( 253) = ( 0.4687500 0.7367532 0.2680032), wk = 0.0029240 k( 254) = ( 0.5000000 0.7667874 0.2667874), wk = 0.0029240 k( 255) = ( 0.5000000 0.7667874 0.2667874), wk = 0.0029240 k( 256) = ( 0.5000000 0.7605831 0.2605831), wk = 0.0029240 k( 257) = ( 0.5000000 0.7543787 0.2543787), wk = 0.0029240 k( 258) = ( 0.5000000 0.7481744 0.2481744), wk = 0.0029240 k( 259) = ( 0.5000000 0.7419700 0.2419700), wk = 0.0029240 k( 260) = ( 0.5000000 0.7357657 0.2357656), wk = 0.0029240 k( 261) = ( 0.5000000 0.7295613 0.2295613), wk = 0.0029240 k( 262) = ( 0.5000000 0.7233569 0.2233569), wk = 0.0029240 k( 263) = ( 0.5000000 0.7171526 0.2171526), wk = 0.0029240 k( 264) = ( 0.5000000 0.7109482 0.2109482), wk = 0.0029240 k( 265) = ( 0.5000000 0.7047438 0.2047439), wk = 0.0029240 k( 266) = ( 0.5000000 0.6985395 0.1985395), wk = 0.0029240 k( 267) = ( 0.5000000 0.6923351 0.1923351), wk = 0.0029240 k( 268) = ( 0.5000000 0.6861308 0.1861308), wk = 0.0029240 k( 269) = ( 0.5000000 0.6799264 0.1799264), wk = 0.0029240 k( 270) = ( 0.5000000 0.6737221 0.1737221), wk = 0.0029240 k( 271) = ( 0.5000000 0.6675177 0.1675177), wk = 0.0029240 k( 272) = ( 0.5000000 0.6613133 0.1613133), wk = 0.0029240 k( 273) = ( 0.5000000 0.6551090 0.1551090), wk = 0.0029240 k( 274) = ( 0.5000000 0.6489046 0.1489046), wk = 0.0029240 k( 275) = ( 0.5000000 0.6427003 0.1427003), wk = 0.0029240 k( 276) = ( 0.5000000 0.6364959 0.1364959), wk = 0.0029240 k( 277) = ( 0.5000000 0.6302915 0.1302915), wk = 0.0029240 k( 278) = ( 0.5000000 0.6240872 0.1240872), wk = 0.0029240 k( 279) = ( 0.5000000 0.6178828 0.1178828), wk = 0.0029240 k( 280) = ( 0.5000000 0.6116785 0.1116785), wk = 0.0029240 k( 281) = ( 0.5000000 0.6054741 0.1054741), wk = 0.0029240 k( 282) = ( 0.5000000 0.5992697 0.0992698), wk = 0.0029240 k( 283) = ( 0.5000000 0.5930654 0.0930654), wk = 0.0029240 k( 284) = ( 0.5000000 0.5868610 0.0868610), wk = 0.0029240 k( 285) = ( 0.5000000 0.5806567 0.0806567), wk = 0.0029240 k( 286) = ( 0.5000000 0.5744523 0.0744523), wk = 0.0029240 k( 287) = ( 0.5000000 0.5682479 0.0682479), wk = 0.0029240 k( 288) = ( 0.5000000 0.5620436 0.0620436), wk = 0.0029240 k( 289) = ( 0.5000000 0.5558392 0.0558392), wk = 0.0029240 k( 290) = ( 0.5000000 0.5496349 0.0496349), wk = 0.0029240 k( 291) = ( 0.5000000 0.5434305 0.0434305), wk = 0.0029240 k( 292) = ( 0.5000000 0.5372261 0.0372261), wk = 0.0029240 k( 293) = ( 0.5000000 0.5310218 0.0310218), wk = 0.0029240 k( 294) = ( 0.5000000 0.5248174 0.0248174), wk = 0.0029240 k( 295) = ( 0.5000000 0.5186131 0.0186131), wk = 0.0029240 k( 296) = ( 0.5000000 0.5124087 0.0124087), wk = 0.0029240 k( 297) = ( 0.5000000 0.5062044 0.0062044), wk = 0.0029240 k( 298) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029240 k( 299) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029240 k( 300) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0029240 k( 301) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0029240 k( 302) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0029240 k( 303) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0029240 k( 304) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0029240 k( 305) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0029240 k( 306) = ( 0.4186047 0.4186047 0.4186046), wk = 0.0029240 k( 307) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0029240 k( 308) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0029240 k( 309) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0029240 k( 310) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0029240 k( 311) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0029240 k( 312) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0029240 k( 313) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0029240 k( 314) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0029240 k( 315) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0029240 k( 316) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0029240 k( 317) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0029240 k( 318) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0029240 k( 319) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0029240 k( 320) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0029240 k( 321) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0029240 k( 322) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0029240 k( 323) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0029240 k( 324) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0029240 k( 325) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0029240 k( 326) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0029240 k( 327) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0029240 k( 328) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0029240 k( 329) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0029240 k( 330) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0029240 k( 331) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0029240 k( 332) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0029240 k( 333) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0029240 k( 334) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0029240 k( 335) = ( 0.0813954 0.0813954 0.0813953), wk = 0.0029240 k( 336) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0029240 k( 337) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0029240 k( 338) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0029240 k( 339) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0029240 k( 340) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0029240 k( 341) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0029240 k( 342) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 Dense grid: 116125 G-vectors FFT dimensions: ( 120, 100, 64) Smooth grid: 46179 G-vectors FFT dimensions: ( 90, 75, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 170, 44) NL pseudopotentials 0.18 Mb ( 85, 136) Each V/rho on FFT grid 0.18 Mb ( 12000) Each G-vector array 0.01 Mb ( 1614) G-vector shells 0.01 Mb ( 1545) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 170, 176) Each subspace H/S matrix 0.01 Mb ( 29, 29) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Rb.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.6 secs Computing kpt #: 5 total cpu time spent up to now is 7.7 secs Computing kpt #: 6 total cpu time spent up to now is 8.7 secs Computing kpt #: 7 total cpu time spent up to now is 9.7 secs Computing kpt #: 8 total cpu time spent up to now is 10.6 secs Computing kpt #: 9 total cpu time spent up to now is 11.5 secs Computing kpt #: 10 total cpu time spent up to now is 12.3 secs Computing kpt #: 11 total cpu time spent up to now is 13.1 secs Computing kpt #: 12 total cpu time spent up to now is 13.9 secs Computing kpt #: 13 total cpu time spent up to now is 14.7 secs Computing kpt #: 14 total cpu time spent up to now is 15.4 secs Computing kpt #: 15 total cpu time spent up to now is 16.1 secs Computing kpt #: 16 total cpu time spent up to now is 16.8 secs Computing kpt #: 17 total cpu time spent up to now is 17.7 secs Computing kpt #: 18 total cpu time spent up to now is 18.5 secs Computing kpt #: 19 total cpu time spent up to now is 19.3 secs Computing kpt #: 20 total cpu time spent up to now is 20.1 secs Computing kpt #: 21 total cpu time spent up to now is 20.8 secs Computing kpt #: 22 total cpu time spent up to now is 21.6 secs Computing kpt #: 23 total cpu time spent up to now is 22.5 secs Computing kpt #: 24 total cpu time spent up to now is 23.3 secs Computing kpt #: 25 total cpu time spent up to now is 24.0 secs Computing kpt #: 26 total cpu time spent up to now is 24.8 secs Computing kpt #: 27 total cpu time spent up to now is 25.6 secs Computing kpt #: 28 total cpu time spent up to now is 26.3 secs Computing kpt #: 29 total cpu time spent up to now is 27.1 secs Computing kpt #: 30 total cpu time spent up to now is 27.9 secs Computing kpt #: 31 total cpu time spent up to now is 28.6 secs Computing kpt #: 32 total cpu time spent up to now is 29.4 secs Computing kpt #: 33 total cpu time spent up to now is 30.2 secs Computing kpt #: 34 total cpu time spent up to now is 31.0 secs Computing kpt #: 35 total cpu time spent up to now is 31.8 secs Computing kpt #: 36 total cpu time spent up to now is 32.7 secs Computing kpt #: 37 total cpu time spent up to now is 33.4 secs Computing kpt #: 38 total cpu time spent up to now is 34.2 secs Computing kpt #: 39 total cpu time spent up to now is 35.0 secs Computing kpt #: 40 total cpu time spent up to now is 35.8 secs Computing kpt #: 41 total cpu time spent up to now is 36.6 secs Computing kpt #: 42 total cpu time spent up to now is 37.6 secs Computing kpt #: 43 total cpu time spent up to now is 38.4 secs Computing kpt #: 44 total cpu time spent up to now is 39.2 secs Computing kpt #: 45 total cpu time spent up to now is 40.1 secs Computing kpt #: 46 total cpu time spent up to now is 40.8 secs Computing kpt #: 47 total cpu time spent up to now is 41.7 secs Computing kpt #: 48 total cpu time spent up to now is 42.4 secs Computing kpt #: 49 total cpu time spent up to now is 43.2 secs Computing kpt #: 50 total cpu time spent up to now is 44.0 secs Computing kpt #: 51 total cpu time spent up to now is 44.7 secs Computing kpt #: 52 total cpu time spent up to now is 45.4 secs Computing kpt #: 53 total cpu time spent up to now is 46.1 secs Computing kpt #: 54 total cpu time spent up to now is 46.9 secs Computing kpt #: 55 total cpu time spent up to now is 47.7 secs Computing kpt #: 56 total cpu time spent up to now is 48.4 secs Computing kpt #: 57 total cpu time spent up to now is 49.2 secs Computing kpt #: 58 total cpu time spent up to now is 50.0 secs Computing kpt #: 59 total cpu time spent up to now is 51.0 secs Computing kpt #: 60 total cpu time spent up to now is 51.9 secs Computing kpt #: 61 total cpu time spent up to now is 52.7 secs Computing kpt #: 62 total cpu time spent up to now is 53.5 secs Computing kpt #: 63 total cpu time spent up to now is 54.2 secs Computing kpt #: 64 total cpu time spent up to now is 55.0 secs Computing kpt #: 65 total cpu time spent up to now is 55.8 secs Computing kpt #: 66 total cpu time spent up to now is 56.6 secs Computing kpt #: 67 total cpu time spent up to now is 57.3 secs Computing kpt #: 68 total cpu time spent up to now is 58.1 secs Computing kpt #: 69 total cpu time spent up to now is 59.0 secs Computing kpt #: 70 total cpu time spent up to now is 59.9 secs Computing kpt #: 71 total cpu time spent up to now is 61.0 secs Computing kpt #: 72 total cpu time spent up to now is 62.0 secs Computing kpt #: 73 total cpu time spent up to now is 63.1 secs Computing kpt #: 74 total cpu time spent up to now is 64.2 secs Computing kpt #: 75 total cpu time spent up to now is 65.3 secs Computing kpt #: 76 total cpu time spent up to now is 66.3 secs Computing kpt #: 77 total cpu time spent up to now is 67.4 secs Computing kpt #: 78 total cpu time spent up to now is 68.6 secs Computing kpt #: 79 total cpu time spent up to now is 69.7 secs Computing kpt #: 80 total cpu time spent up to now is 70.9 secs Computing kpt #: 81 total cpu time spent up to now is 72.0 secs Computing kpt #: 82 total cpu time spent up to now is 73.1 secs Computing kpt #: 83 total cpu time spent up to now is 74.2 secs Computing kpt #: 84 total cpu time spent up to now is 75.5 secs Computing kpt #: 85 total cpu time spent up to now is 76.5 secs Computing kpt #: 86 total cpu time spent up to now is 77.8 secs Computing kpt #: 87 total cpu time spent up to now is 78.9 secs Computing kpt #: 88 total cpu time spent up to now is 80.3 secs Computing kpt #: 89 total cpu time spent up to now is 81.6 secs Computing kpt #: 90 total cpu time spent up to now is 82.7 secs Computing kpt #: 91 total cpu time spent up to now is 83.8 secs Computing kpt #: 92 total cpu time spent up to now is 85.0 secs Computing kpt #: 93 total cpu time spent up to now is 86.1 secs Computing kpt #: 94 total cpu time spent up to now is 87.2 secs Computing kpt #: 95 total cpu time spent up to now is 88.2 secs Computing kpt #: 96 total cpu time spent up to now is 89.4 secs Computing kpt #: 97 total cpu time spent up to now is 90.6 secs Computing kpt #: 98 total cpu time spent up to now is 91.8 secs Computing kpt #: 99 total cpu time spent up to now is 93.0 secs Computing kpt #: 100 total cpu time spent up to now is 94.1 secs Computing kpt #: 101 total cpu time spent up to now is 95.4 secs Computing kpt #: 102 total cpu time spent up to now is 96.5 secs Computing kpt #: 103 total cpu time spent up to now is 97.6 secs Computing kpt #: 104 total cpu time spent up to now is 98.8 secs Computing kpt #: 105 total cpu time spent up to now is 99.9 secs Computing kpt #: 106 total cpu time spent up to now is 101.1 secs Computing kpt #: 107 total cpu time spent up to now is 102.6 secs Computing kpt #: 108 total cpu time spent up to now is 103.8 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.7 secs Computing kpt #: 110 total cpu time spent up to now is 107.9 secs Computing kpt #: 111 total cpu time spent up to now is 109.0 secs Computing kpt #: 112 total cpu time spent up to now is 110.1 secs Computing kpt #: 113 total cpu time spent up to now is 111.5 secs Computing kpt #: 114 total cpu time spent up to now is 112.9 secs Computing kpt #: 115 total cpu time spent up to now is 114.2 secs Computing kpt #: 116 total cpu time spent up to now is 115.5 secs Computing kpt #: 117 total cpu time spent up to now is 116.6 secs Computing kpt #: 118 total cpu time spent up to now is 117.8 secs Computing kpt #: 119 total cpu time spent up to now is 119.0 secs Computing kpt #: 120 total cpu time spent up to now is 120.1 secs Computing kpt #: 121 total cpu time spent up to now is 121.2 secs Computing kpt #: 122 total cpu time spent up to now is 122.2 secs Computing kpt #: 123 total cpu time spent up to now is 123.4 secs Computing kpt #: 124 total cpu time spent up to now is 124.4 secs Computing kpt #: 125 total cpu time spent up to now is 125.6 secs Computing kpt #: 126 total cpu time spent up to now is 126.7 secs Computing kpt #: 127 total cpu time spent up to now is 128.8 secs Computing kpt #: 128 total cpu time spent up to now is 129.9 secs Computing kpt #: 129 total cpu time spent up to now is 131.0 secs Computing kpt #: 130 total cpu time spent up to now is 132.2 secs Computing kpt #: 131 total cpu time spent up to now is 133.3 secs Computing kpt #: 132 total cpu time spent up to now is 134.6 secs Computing kpt #: 133 total cpu time spent up to now is 135.9 secs Computing kpt #: 134 total cpu time spent up to now is 137.1 secs Computing kpt #: 135 total cpu time spent up to now is 138.2 secs Computing kpt #: 136 total cpu time spent up to now is 139.4 secs Computing kpt #: 137 total cpu time spent up to now is 141.2 secs Computing kpt #: 138 total cpu time spent up to now is 142.4 secs Computing kpt #: 139 total cpu time spent up to now is 143.4 secs Computing kpt #: 140 total cpu time spent up to now is 144.4 secs Computing kpt #: 141 total cpu time spent up to now is 145.5 secs Computing kpt #: 142 total cpu time spent up to now is 146.7 secs Computing kpt #: 143 total cpu time spent up to now is 147.7 secs Computing kpt #: 144 total cpu time spent up to now is 148.8 secs Computing kpt #: 145 total cpu time spent up to now is 149.9 secs Computing kpt #: 146 total cpu time spent up to now is 150.9 secs Computing kpt #: 147 total cpu time spent up to now is 152.0 secs Computing kpt #: 148 total cpu time spent up to now is 153.1 secs Computing kpt #: 149 total cpu time spent up to now is 154.1 secs Computing kpt #: 150 total cpu time spent up to now is 155.1 secs Computing kpt #: 151 total cpu time spent up to now is 156.1 secs Computing kpt #: 152 total cpu time spent up to now is 157.2 secs Computing kpt #: 153 total cpu time spent up to now is 158.3 secs Computing kpt #: 154 total cpu time spent up to now is 159.3 secs Computing kpt #: 155 total cpu time spent up to now is 160.4 secs Computing kpt #: 156 total cpu time spent up to now is 161.6 secs Computing kpt #: 157 total cpu time spent up to now is 162.7 secs Computing kpt #: 158 total cpu time spent up to now is 163.9 secs Computing kpt #: 159 total cpu time spent up to now is 165.0 secs Computing kpt #: 160 total cpu time spent up to now is 166.0 secs Computing kpt #: 161 total cpu time spent up to now is 167.1 secs Computing kpt #: 162 total cpu time spent up to now is 168.2 secs Computing kpt #: 163 total cpu time spent up to now is 169.1 secs Computing kpt #: 164 total cpu time spent up to now is 170.0 secs Computing kpt #: 165 total cpu time spent up to now is 171.0 secs Computing kpt #: 166 total cpu time spent up to now is 171.9 secs Computing kpt #: 167 total cpu time spent up to now is 172.9 secs Computing kpt #: 168 total cpu time spent up to now is 174.0 secs Computing kpt #: 169 total cpu time spent up to now is 175.1 secs Computing kpt #: 170 total cpu time spent up to now is 176.2 secs Computing kpt #: 171 total cpu time spent up to now is 177.3 secs Computing kpt #: 172 total cpu time spent up to now is 178.4 secs Computing kpt #: 173 total cpu time spent up to now is 179.5 secs Computing kpt #: 174 total cpu time spent up to now is 180.5 secs Computing kpt #: 175 total cpu time spent up to now is 181.4 secs Computing kpt #: 176 total cpu time spent up to now is 182.7 secs Computing kpt #: 177 total cpu time spent up to now is 183.6 secs Computing kpt #: 178 total cpu time spent up to now is 184.5 secs Computing kpt #: 179 total cpu time spent up to now is 185.9 secs Computing kpt #: 180 total cpu time spent up to now is 186.7 secs Computing kpt #: 181 total cpu time spent up to now is 187.6 secs Computing kpt #: 182 total cpu time spent up to now is 188.4 secs Computing kpt #: 183 total cpu time spent up to now is 189.2 secs Computing kpt #: 184 total cpu time spent up to now is 190.2 secs Computing kpt #: 185 total cpu time spent up to now is 191.0 secs Computing kpt #: 186 total cpu time spent up to now is 191.8 secs Computing kpt #: 187 total cpu time spent up to now is 192.7 secs Computing kpt #: 188 total cpu time spent up to now is 193.5 secs Computing kpt #: 189 total cpu time spent up to now is 194.3 secs Computing kpt #: 190 total cpu time spent up to now is 195.2 secs Computing kpt #: 191 total cpu time spent up to now is 195.9 secs Computing kpt #: 192 total cpu time spent up to now is 196.6 secs Computing kpt #: 193 total cpu time spent up to now is 197.4 secs Computing kpt #: 194 total cpu time spent up to now is 198.2 secs Computing kpt #: 195 total cpu time spent up to now is 198.9 secs Computing kpt #: 196 total cpu time spent up to now is 199.6 secs Computing kpt #: 197 total cpu time spent up to now is 200.9 secs Computing kpt #: 198 total cpu time spent up to now is 201.8 secs Computing kpt #: 199 total cpu time spent up to now is 202.6 secs Computing kpt #: 200 total cpu time spent up to now is 203.4 secs Computing kpt #: 201 total cpu time spent up to now is 204.1 secs Computing kpt #: 202 total cpu time spent up to now is 204.9 secs Computing kpt #: 203 total cpu time spent up to now is 205.8 secs Computing kpt #: 204 total cpu time spent up to now is 206.7 secs Computing kpt #: 205 total cpu time spent up to now is 207.6 secs Computing kpt #: 206 total cpu time spent up to now is 208.4 secs Computing kpt #: 207 total cpu time spent up to now is 209.3 secs Computing kpt #: 208 total cpu time spent up to now is 210.2 secs Computing kpt #: 209 total cpu time spent up to now is 211.0 secs Computing kpt #: 210 total cpu time spent up to now is 211.8 secs Computing kpt #: 211 total cpu time spent up to now is 212.7 secs Computing kpt #: 212 total cpu time spent up to now is 213.6 secs Computing kpt #: 213 total cpu time spent up to now is 214.4 secs Computing kpt #: 214 total cpu time spent up to now is 215.3 secs Computing kpt #: 215 total cpu time spent up to now is 216.2 secs Computing kpt #: 216 total cpu time spent up to now is 217.2 secs Computing kpt #: 217 total cpu time spent up to now is 218.2 secs Computing kpt #: 218 total cpu time spent up to now is 219.1 secs Computing kpt #: 219 total cpu time spent up to now is 220.1 secs Computing kpt #: 220 total cpu time spent up to now is 221.2 secs Computing kpt #: 221 total cpu time spent up to now is 222.2 secs Computing kpt #: 222 total cpu time spent up to now is 223.3 secs Computing kpt #: 223 total cpu time spent up to now is 224.5 secs Computing kpt #: 224 total cpu time spent up to now is 225.7 secs Computing kpt #: 225 total cpu time spent up to now is 226.9 secs Computing kpt #: 226 total cpu time spent up to now is 229.0 secs Computing kpt #: 227 total cpu time spent up to now is 230.0 secs Computing kpt #: 228 total cpu time spent up to now is 231.1 secs Computing kpt #: 229 total cpu time spent up to now is 232.2 secs Computing kpt #: 230 total cpu time spent up to now is 233.2 secs Computing kpt #: 231 total cpu time spent up to now is 234.2 secs Computing kpt #: 232 total cpu time spent up to now is 235.3 secs Computing kpt #: 233 total cpu time spent up to now is 236.5 secs Computing kpt #: 234 total cpu time spent up to now is 237.7 secs Computing kpt #: 235 total cpu time spent up to now is 238.9 secs Computing kpt #: 236 total cpu time spent up to now is 240.0 secs Computing kpt #: 237 total cpu time spent up to now is 241.1 secs Computing kpt #: 238 total cpu time spent up to now is 242.1 secs Computing kpt #: 239 total cpu time spent up to now is 243.2 secs Computing kpt #: 240 total cpu time spent up to now is 244.3 secs Computing kpt #: 241 total cpu time spent up to now is 245.5 secs Computing kpt #: 242 total cpu time spent up to now is 246.7 secs Computing kpt #: 243 total cpu time spent up to now is 247.9 secs Computing kpt #: 244 total cpu time spent up to now is 248.9 secs Computing kpt #: 245 total cpu time spent up to now is 250.2 secs Computing kpt #: 246 total cpu time spent up to now is 251.3 secs Computing kpt #: 247 total cpu time spent up to now is 252.4 secs Computing kpt #: 248 total cpu time spent up to now is 253.5 secs Computing kpt #: 249 total cpu time spent up to now is 254.6 secs Computing kpt #: 250 total cpu time spent up to now is 255.7 secs Computing kpt #: 251 total cpu time spent up to now is 256.7 secs Computing kpt #: 252 total cpu time spent up to now is 257.8 secs Computing kpt #: 253 total cpu time spent up to now is 259.1 secs Computing kpt #: 254 total cpu time spent up to now is 260.1 secs Computing kpt #: 255 total cpu time spent up to now is 261.1 secs Computing kpt #: 256 total cpu time spent up to now is 262.3 secs Computing kpt #: 257 total cpu time spent up to now is 263.3 secs Computing kpt #: 258 total cpu time spent up to now is 264.3 secs Computing kpt #: 259 total cpu time spent up to now is 265.3 secs Computing kpt #: 260 total cpu time spent up to now is 266.3 secs Computing kpt #: 261 total cpu time spent up to now is 267.3 secs Computing kpt #: 262 total cpu time spent up to now is 268.5 secs Computing kpt #: 263 total cpu time spent up to now is 269.5 secs Computing kpt #: 264 total cpu time spent up to now is 270.7 secs Computing kpt #: 265 total cpu time spent up to now is 271.9 secs Computing kpt #: 266 total cpu time spent up to now is 273.1 secs Computing kpt #: 267 total cpu time spent up to now is 274.1 secs Computing kpt #: 268 total cpu time spent up to now is 275.2 secs Computing kpt #: 269 total cpu time spent up to now is 276.2 secs Computing kpt #: 270 total cpu time spent up to now is 277.3 secs Computing kpt #: 271 total cpu time spent up to now is 278.5 secs Computing kpt #: 272 total cpu time spent up to now is 279.4 secs Computing kpt #: 273 total cpu time spent up to now is 280.8 secs Computing kpt #: 274 total cpu time spent up to now is 281.7 secs Computing kpt #: 275 total cpu time spent up to now is 282.6 secs Computing kpt #: 276 total cpu time spent up to now is 283.7 secs Computing kpt #: 277 total cpu time spent up to now is 284.6 secs Computing kpt #: 278 total cpu time spent up to now is 285.8 secs Computing kpt #: 279 total cpu time spent up to now is 287.0 secs Computing kpt #: 280 total cpu time spent up to now is 288.2 secs Computing kpt #: 281 total cpu time spent up to now is 289.3 secs Computing kpt #: 282 total cpu time spent up to now is 290.4 secs Computing kpt #: 283 total cpu time spent up to now is 291.5 secs Computing kpt #: 284 total cpu time spent up to now is 292.6 secs Computing kpt #: 285 total cpu time spent up to now is 293.7 secs Computing kpt #: 286 total cpu time spent up to now is 294.8 secs Computing kpt #: 287 total cpu time spent up to now is 295.9 secs Computing kpt #: 288 total cpu time spent up to now is 297.0 secs Computing kpt #: 289 total cpu time spent up to now is 298.1 secs Computing kpt #: 290 total cpu time spent up to now is 299.1 secs Computing kpt #: 291 total cpu time spent up to now is 300.4 secs Computing kpt #: 292 total cpu time spent up to now is 301.5 secs Computing kpt #: 293 total cpu time spent up to now is 302.5 secs Computing kpt #: 294 total cpu time spent up to now is 303.7 secs Computing kpt #: 295 total cpu time spent up to now is 304.8 secs Computing kpt #: 296 total cpu time spent up to now is 306.0 secs Computing kpt #: 297 total cpu time spent up to now is 307.2 secs Computing kpt #: 298 total cpu time spent up to now is 308.3 secs Computing kpt #: 299 total cpu time spent up to now is 309.5 secs Computing kpt #: 300 total cpu time spent up to now is 310.6 secs Computing kpt #: 301 total cpu time spent up to now is 311.9 secs Computing kpt #: 302 total cpu time spent up to now is 313.1 secs Computing kpt #: 303 total cpu time spent up to now is 314.5 secs Computing kpt #: 304 total cpu time spent up to now is 315.7 secs Computing kpt #: 305 total cpu time spent up to now is 317.1 secs Computing kpt #: 306 total cpu time spent up to now is 318.5 secs Computing kpt #: 307 total cpu time spent up to now is 319.6 secs Computing kpt #: 308 total cpu time spent up to now is 320.8 secs Computing kpt #: 309 total cpu time spent up to now is 322.7 secs Computing kpt #: 310 total cpu time spent up to now is 323.9 secs Computing kpt #: 311 total cpu time spent up to now is 324.9 secs Computing kpt #: 312 total cpu time spent up to now is 325.9 secs Computing kpt #: 313 total cpu time spent up to now is 327.0 secs Computing kpt #: 314 total cpu time spent up to now is 328.0 secs Computing kpt #: 315 total cpu time spent up to now is 329.0 secs Computing kpt #: 316 total cpu time spent up to now is 330.1 secs Computing kpt #: 317 total cpu time spent up to now is 331.1 secs Computing kpt #: 318 total cpu time spent up to now is 332.1 secs Computing kpt #: 319 total cpu time spent up to now is 333.2 secs Computing kpt #: 320 total cpu time spent up to now is 334.2 secs Computing kpt #: 321 total cpu time spent up to now is 335.2 secs Computing kpt #: 322 total cpu time spent up to now is 336.3 secs Computing kpt #: 323 total cpu time spent up to now is 337.4 secs Computing kpt #: 324 total cpu time spent up to now is 338.5 secs Computing kpt #: 325 total cpu time spent up to now is 339.6 secs Computing kpt #: 326 total cpu time spent up to now is 340.7 secs Computing kpt #: 327 total cpu time spent up to now is 341.7 secs Computing kpt #: 328 total cpu time spent up to now is 342.8 secs Computing kpt #: 329 total cpu time spent up to now is 344.0 secs Computing kpt #: 330 total cpu time spent up to now is 345.0 secs Computing kpt #: 331 total cpu time spent up to now is 346.0 secs Computing kpt #: 332 total cpu time spent up to now is 347.0 secs Computing kpt #: 333 total cpu time spent up to now is 348.0 secs Computing kpt #: 334 total cpu time spent up to now is 349.0 secs Computing kpt #: 335 total cpu time spent up to now is 350.0 secs Computing kpt #: 336 total cpu time spent up to now is 351.2 secs Computing kpt #: 337 total cpu time spent up to now is 352.3 secs Computing kpt #: 338 total cpu time spent up to now is 353.3 secs Computing kpt #: 339 total cpu time spent up to now is 354.4 secs Computing kpt #: 340 total cpu time spent up to now is 355.4 secs Computing kpt #: 341 total cpu time spent up to now is 356.4 secs Computing kpt #: 342 total cpu time spent up to now is 357.6 secs ethr = 2.78E-08, avg # of iterations = 23.1 total cpu time spent up to now is 357.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5741 PWs) bands (ev): -25.2468 -25.2468 -25.2124 -25.2124 -25.1611 -25.1611 -25.1264 -25.1264 -10.0704 -10.0704 -10.0061 -10.0061 -9.8391 -9.8391 -9.6792 -9.6792 -9.3323 -9.3323 -9.1639 -9.1639 -9.0286 -9.0286 -8.9512 -8.9512 -8.8189 -8.8189 -8.8105 -8.8105 -8.7552 -8.7552 -8.7310 -8.7310 1.6048 1.6048 3.1344 3.1344 3.6659 3.6659 4.6412 4.6412 5.3416 5.3416 5.7409 5.7409 k = 0.0192-0.0297 0.0113 ( 5737 PWs) bands (ev): -25.2467 -25.2467 -25.2123 -25.2123 -25.1612 -25.1612 -25.1265 -25.1265 -10.0702 -10.0702 -10.0059 -10.0059 -9.8392 -9.8392 -9.6797 -9.6797 -9.3318 -9.3318 -9.1636 -9.1636 -9.0286 -9.0286 -8.9513 -8.9513 -8.8201 -8.8201 -8.8096 -8.8096 -8.7554 -8.7554 -8.7308 -8.7308 1.6068 1.6068 3.1362 3.1362 3.6664 3.6664 4.6361 4.6361 5.3395 5.3395 5.7317 5.7317 k = 0.0385-0.0593 0.0226 ( 5737 PWs) bands (ev): -25.2465 -25.2465 -25.2121 -25.2121 -25.1614 -25.1614 -25.1267 -25.1267 -10.0696 -10.0696 -10.0055 -10.0055 -9.8396 -9.8396 -9.6812 -9.6812 -9.3302 -9.3302 -9.1629 -9.1629 -9.0287 -9.0287 -8.9518 -8.9518 -8.8228 -8.8228 -8.8077 -8.8077 -8.7561 -8.7561 -8.7303 -8.7303 1.6131 1.6131 3.1416 3.1416 3.6678 3.6678 4.6211 4.6211 5.3331 5.3331 5.7053 5.7053 k = 0.0577-0.0890 0.0339 ( 5737 PWs) bands (ev): -25.2461 -25.2461 -25.2117 -25.2117 -25.1618 -25.1618 -25.1271 -25.1271 -10.0686 -10.0686 -10.0048 -10.0048 -9.8402 -9.8402 -9.6836 -9.6836 -9.3276 -9.3276 -9.1618 -9.1618 -9.0288 -9.0288 -8.9526 -8.9526 -8.8264 -8.8264 -8.8056 -8.8056 -8.7573 -8.7573 -8.7295 -8.7295 1.6234 1.6234 3.1506 3.1506 3.6703 3.6703 4.5965 4.5965 5.3225 5.3225 5.6644 5.6644 k = 0.0769-0.1187 0.0452 ( 5747 PWs) bands (ev): -25.2455 -25.2455 -25.2112 -25.2112 -25.1624 -25.1624 -25.1277 -25.1277 -10.0673 -10.0673 -10.0037 -10.0037 -9.8411 -9.8411 -9.6869 -9.6869 -9.3241 -9.3241 -9.1602 -9.1602 -9.0290 -9.0290 -8.9537 -8.9537 -8.8304 -8.8304 -8.8035 -8.8035 -8.7589 -8.7589 -8.7284 -8.7284 1.6379 1.6379 3.1631 3.1631 3.6737 3.6737 4.5630 4.5630 5.3077 5.3077 5.6125 5.6125 k = 0.0962-0.1484 0.0565 ( 5747 PWs) bands (ev): -25.2448 -25.2448 -25.2105 -25.2105 -25.1631 -25.1631 -25.1284 -25.1284 -10.0656 -10.0656 -10.0024 -10.0024 -9.8422 -9.8422 -9.6911 -9.6911 -9.3196 -9.3196 -9.1582 -9.1582 -9.0293 -9.0293 -8.9552 -8.9552 -8.8348 -8.8348 -8.8013 -8.8013 -8.7610 -8.7610 -8.7272 -8.7272 1.6565 1.6565 3.1791 3.1791 3.6782 3.6782 4.5215 4.5215 5.2887 5.2887 5.5524 5.5524 k = 0.1154-0.1780 0.0678 ( 5749 PWs) bands (ev): -25.2440 -25.2440 -25.2097 -25.2097 -25.1639 -25.1639 -25.1292 -25.1292 -10.0636 -10.0636 -10.0008 -10.0008 -9.8437 -9.8437 -9.6960 -9.6960 -9.3143 -9.3143 -9.1557 -9.1557 -9.0297 -9.0297 -8.9569 -8.9569 -8.8395 -8.8395 -8.7991 -8.7991 -8.7635 -8.7635 -8.7259 -8.7259 1.6791 1.6791 3.1986 3.1986 3.6837 3.6837 4.4727 4.4727 5.2656 5.2656 5.4867 5.4867 k = 0.1346-0.2077 0.0791 ( 5757 PWs) bands (ev): -25.2430 -25.2430 -25.2087 -25.2087 -25.1649 -25.1649 -25.1302 -25.1302 -10.0612 -10.0612 -9.9990 -9.9990 -9.8453 -9.8453 -9.7016 -9.7016 -9.3082 -9.3082 -9.1528 -9.1528 -9.0302 -9.0302 -8.9589 -8.9589 -8.8444 -8.8444 -8.7968 -8.7968 -8.7665 -8.7665 -8.7245 -8.7245 1.7057 1.7057 3.2216 3.2216 3.6903 3.6903 4.4175 4.4175 5.2383 5.2383 5.4169 5.4169 k = 0.1538-0.2374 0.0904 ( 5754 PWs) bands (ev): -25.2419 -25.2419 -25.2076 -25.2076 -25.1661 -25.1661 -25.1314 -25.1314 -10.0584 -10.0584 -9.9969 -9.9969 -9.8471 -9.8471 -9.7079 -9.7079 -9.3014 -9.3014 -9.1495 -9.1495 -9.0310 -9.0310 -8.9613 -8.9613 -8.8494 -8.8494 -8.7945 -8.7945 -8.7698 -8.7698 -8.7233 -8.7233 1.7363 1.7363 3.2479 3.2479 3.6980 3.6980 4.3569 4.3569 5.2071 5.2071 5.3446 5.3446 k = 0.1731-0.2671 0.1017 ( 5756 PWs) bands (ev): -25.2406 -25.2406 -25.2063 -25.2063 -25.1673 -25.1673 -25.1327 -25.1327 -10.0554 -10.0554 -9.9945 -9.9945 -9.8491 -9.8491 -9.7147 -9.7147 -9.2940 -9.2940 -9.1458 -9.1458 -9.0319 -9.0319 -8.9639 -8.9639 -8.8543 -8.8543 -8.7921 -8.7921 -8.7734 -8.7734 -8.7221 -8.7221 1.7707 1.7707 3.2776 3.2776 3.7067 3.7067 4.2916 4.2916 5.1719 5.1719 5.2707 5.2707 k = 0.1923-0.2967 0.1130 ( 5760 PWs) bands (ev): -25.2392 -25.2392 -25.2049 -25.2049 -25.1688 -25.1688 -25.1341 -25.1341 -10.0520 -10.0520 -9.9919 -9.9919 -9.8514 -9.8514 -9.7220 -9.7220 -9.2861 -9.2861 -9.1417 -9.1417 -9.0332 -9.0332 -8.9667 -8.9667 -8.8591 -8.8591 -8.7898 -8.7898 -8.7773 -8.7773 -8.7212 -8.7212 1.8090 1.8090 3.3104 3.3104 3.7164 3.7164 4.2225 4.2225 5.1330 5.1330 5.1960 5.1960 k = 0.2115-0.3264 0.1243 ( 5762 PWs) bands (ev): -25.2377 -25.2377 -25.2034 -25.2034 -25.1703 -25.1703 -25.1356 -25.1356 -10.0483 -10.0483 -9.9891 -9.9891 -9.8538 -9.8538 -9.7296 -9.7296 -9.2777 -9.2777 -9.1373 -9.1373 -9.0348 -9.0348 -8.9699 -8.9699 -8.8637 -8.8637 -8.7879 -8.7879 -8.7809 -8.7809 -8.7204 -8.7204 1.8509 1.8509 3.3465 3.3465 3.7268 3.7268 4.1505 4.1505 5.0905 5.0905 5.1211 5.1211 k = 0.2308-0.3561 0.1356 ( 5752 PWs) bands (ev): -25.2361 -25.2361 -25.2018 -25.2018 -25.1720 -25.1720 -25.1373 -25.1373 -10.0443 -10.0443 -9.9862 -9.9862 -9.8563 -9.8563 -9.7376 -9.7376 -9.2688 -9.2688 -9.1326 -9.1326 -9.0368 -9.0368 -8.9733 -8.9733 -8.8680 -8.8680 -8.7887 -8.7887 -8.7820 -8.7820 -8.7198 -8.7198 1.8965 1.8965 3.3855 3.3855 3.7374 3.7374 4.0769 4.0769 5.0433 5.0433 5.0477 5.0477 k = 0.2500-0.3858 0.1469 ( 5752 PWs) bands (ev): -25.2343 -25.2343 -25.2000 -25.2000 -25.1738 -25.1738 -25.1391 -25.1391 -10.0400 -10.0400 -9.9831 -9.9831 -9.8588 -9.8588 -9.7459 -9.7459 -9.2596 -9.2596 -9.1276 -9.1276 -9.0393 -9.0393 -8.9769 -8.9769 -8.8718 -8.8718 -8.7928 -8.7928 -8.7800 -8.7800 -8.7195 -8.7195 1.9457 1.9457 3.4275 3.4275 3.7466 3.7466 4.0037 4.0037 4.9722 4.9722 4.9959 4.9959 k = 0.2692-0.4154 0.1582 ( 5756 PWs) bands (ev): -25.2324 -25.2324 -25.1981 -25.1981 -25.1757 -25.1757 -25.1410 -25.1410 -10.0356 -10.0356 -9.9800 -9.9800 -9.8614 -9.8614 -9.7543 -9.7543 -9.2502 -9.2502 -9.1224 -9.1224 -9.0423 -9.0423 -8.9808 -8.9808 -8.8751 -8.8751 -8.7978 -8.7978 -8.7773 -8.7773 -8.7195 -8.7195 1.9983 1.9983 3.4723 3.4723 3.7500 3.7500 3.9360 3.9360 4.8993 4.8993 4.9437 4.9437 k = 0.2885-0.4451 0.1695 ( 5762 PWs) bands (ev): -25.2305 -25.2305 -25.1961 -25.1961 -25.1777 -25.1777 -25.1431 -25.1431 -10.0309 -10.0309 -9.9768 -9.9768 -9.8639 -9.8639 -9.7629 -9.7629 -9.2404 -9.2404 -9.1170 -9.1170 -9.0458 -9.0458 -8.9849 -8.9849 -8.8778 -8.8778 -8.8031 -8.8031 -8.7743 -8.7743 -8.7198 -8.7198 2.0541 2.0541 3.5196 3.5196 3.7348 3.7348 3.8871 3.8871 4.8278 4.8278 4.8889 4.8889 k = 0.3077-0.4748 0.1808 ( 5764 PWs) bands (ev): -25.2284 -25.2284 -25.1941 -25.1941 -25.1798 -25.1798 -25.1452 -25.1452 -10.0260 -10.0260 -9.9738 -9.9738 -9.8662 -9.8662 -9.7716 -9.7716 -9.2305 -9.2305 -9.1115 -9.1115 -9.0498 -9.0498 -8.9893 -8.9893 -8.8798 -8.8798 -8.8086 -8.8086 -8.7712 -8.7712 -8.7203 -8.7203 2.1132 2.1132 3.5687 3.5687 3.6876 3.6876 3.8715 3.8715 4.7578 4.7578 4.8317 4.8317 k = 0.3269-0.5045 0.1921 ( 5772 PWs) bands (ev): -25.2263 -25.2263 -25.1919 -25.1919 -25.1820 -25.1820 -25.1474 -25.1474 -10.0210 -10.0210 -9.9710 -9.9710 -9.8681 -9.8681 -9.7804 -9.7804 -9.2205 -9.2205 -9.1061 -9.1061 -9.0543 -9.0543 -8.9939 -8.9939 -8.8812 -8.8812 -8.8143 -8.8143 -8.7680 -8.7680 -8.7211 -8.7211 2.1754 2.1754 3.6016 3.6016 3.6363 3.6363 3.8795 3.8795 4.6896 4.6896 4.7721 4.7721 k = 0.3462-0.5341 0.2034 ( 5768 PWs) bands (ev): -25.2240 -25.2240 -25.1896 -25.1896 -25.1842 -25.1842 -25.1496 -25.1496 -10.0158 -10.0158 -9.9686 -9.9686 -9.8697 -9.8697 -9.7890 -9.7890 -9.2103 -9.2103 -9.1008 -9.1008 -9.0590 -9.0590 -8.9987 -8.9987 -8.8817 -8.8817 -8.8200 -8.8200 -8.7647 -8.7647 -8.7222 -8.7222 2.2405 2.2405 3.5320 3.5320 3.6806 3.6806 3.8980 3.8980 4.6234 4.6234 4.7107 4.7107 k = 0.3654-0.5638 0.2147 ( 5764 PWs) bands (ev): -25.2217 -25.2217 -25.1873 -25.1873 -25.1866 -25.1866 -25.1520 -25.1520 -10.0106 -10.0106 -9.9668 -9.9668 -9.8705 -9.8705 -9.7977 -9.7977 -9.2000 -9.2000 -9.0963 -9.0963 -9.0635 -9.0635 -9.0036 -9.0036 -8.8816 -8.8816 -8.8258 -8.8258 -8.7615 -8.7615 -8.7235 -8.7235 2.3084 2.3084 3.4489 3.4489 3.7368 3.7368 3.9221 3.9221 4.5592 4.5592 4.6475 4.6475 k = 0.3846-0.5935 0.2260 ( 5772 PWs) bands (ev): -25.2193 -25.2193 -25.1890 -25.1890 -25.1849 -25.1849 -25.1544 -25.1544 -10.0053 -10.0053 -9.9656 -9.9656 -9.8707 -9.8707 -9.8062 -9.8062 -9.1898 -9.1898 -9.0935 -9.0935 -9.0669 -9.0669 -9.0088 -9.0088 -8.8808 -8.8808 -8.8316 -8.8316 -8.7582 -8.7582 -8.7252 -8.7252 2.3789 2.3789 3.3633 3.3633 3.7956 3.7956 3.9500 3.9500 4.4972 4.4972 4.5830 4.5830 k = 0.4038-0.6231 0.2373 ( 5770 PWs) bands (ev): -25.2169 -25.2169 -25.1914 -25.1914 -25.1825 -25.1825 -25.1569 -25.1569 -10.0000 -10.0000 -9.9652 -9.9652 -9.8698 -9.8698 -9.8145 -9.8145 -9.1795 -9.1795 -9.0940 -9.0940 -9.0674 -9.0674 -9.0142 -9.0142 -8.8793 -8.8793 -8.8373 -8.8373 -8.7549 -8.7549 -8.7270 -8.7270 2.4520 2.4520 3.2768 3.2768 3.8563 3.8563 3.9810 3.9810 4.4375 4.4375 4.5174 4.5174 k = 0.4231-0.6528 0.2485 ( 5778 PWs) bands (ev): -25.2144 -25.2144 -25.1939 -25.1939 -25.1800 -25.1800 -25.1594 -25.1594 -9.9948 -9.9948 -9.9657 -9.9657 -9.8680 -9.8680 -9.8225 -9.8225 -9.1693 -9.1693 -9.0982 -9.0982 -9.0647 -9.0647 -9.0197 -9.0197 -8.8771 -8.8771 -8.8429 -8.8429 -8.7516 -8.7516 -8.7291 -8.7291 2.5273 2.5273 3.1901 3.1901 3.9186 3.9186 4.0150 4.0150 4.3801 4.3801 4.4509 4.4509 k = 0.4423-0.6825 0.2598 ( 5770 PWs) bands (ev): -25.2119 -25.2119 -25.1965 -25.1965 -25.1775 -25.1775 -25.1619 -25.1619 -9.9897 -9.9897 -9.9671 -9.9671 -9.8651 -9.8651 -9.8303 -9.8303 -9.1593 -9.1593 -9.1047 -9.1047 -9.0600 -9.0600 -9.0253 -9.0253 -8.8743 -8.8743 -8.8483 -8.8483 -8.7484 -8.7484 -8.7314 -8.7314 2.6048 2.6048 3.1035 3.1035 3.9823 3.9823 4.0518 4.0518 4.3252 4.3252 4.3839 4.3839 k = 0.4615-0.7122 0.2711 ( 5756 PWs) bands (ev): -25.2093 -25.2093 -25.1990 -25.1990 -25.1749 -25.1749 -25.1645 -25.1645 -9.9848 -9.9848 -9.9694 -9.9694 -9.8612 -9.8612 -9.8376 -9.8376 -9.1493 -9.1493 -9.1125 -9.1125 -9.0546 -9.0546 -9.0311 -9.0311 -8.8710 -8.8710 -8.8534 -8.8534 -8.7453 -8.7453 -8.7338 -8.7338 2.6842 2.6842 3.0175 3.0175 4.0469 4.0469 4.0915 4.0915 4.2726 4.2726 4.3168 4.3168 k = 0.4808-0.7418 0.2824 ( 5738 PWs) bands (ev): -25.2067 -25.2067 -25.2016 -25.2016 -25.1723 -25.1723 -25.1671 -25.1671 -9.9802 -9.9802 -9.9724 -9.9724 -9.8563 -9.8563 -9.8444 -9.8444 -9.1396 -9.1396 -9.1211 -9.1211 -9.0488 -9.0488 -9.0370 -9.0370 -8.8672 -8.8672 -8.8584 -8.8584 -8.7422 -8.7422 -8.7364 -8.7364 2.7654 2.7654 2.9323 2.9323 4.1117 4.1117 4.1347 4.1347 4.2221 4.2221 4.2501 4.2501 k = 0.5000-0.7715 0.2937 ( 5750 PWs) bands (ev): -25.2041 -25.2041 -25.2041 -25.2041 -25.1697 -25.1697 -25.1697 -25.1697 -9.9761 -9.9761 -9.9761 -9.9761 -9.8507 -9.8507 -9.8507 -9.8507 -9.1302 -9.1302 -9.1302 -9.1302 -9.0429 -9.0429 -9.0429 -9.0429 -8.8630 -8.8630 -8.8630 -8.8630 -8.7393 -8.7393 -8.7393 -8.7393 2.8482 2.8482 2.8482 2.8482 4.1715 4.1715 4.1715 4.1715 4.1863 4.1863 4.1863 4.1863 k = 0.5000-0.7715 0.2937 ( 5750 PWs) bands (ev): -25.2041 -25.2041 -25.2041 -25.2041 -25.1697 -25.1697 -25.1697 -25.1697 -9.9761 -9.9761 -9.9761 -9.9761 -9.8507 -9.8507 -9.8507 -9.8507 -9.1302 -9.1302 -9.1302 -9.1302 -9.0429 -9.0429 -9.0429 -9.0429 -8.8630 -8.8630 -8.8630 -8.8630 -8.7393 -8.7393 -8.7393 -8.7393 2.8482 2.8482 2.8482 2.8482 4.1715 4.1715 4.1715 4.1715 4.1863 4.1863 4.1863 4.1863 k = 0.5312-0.7538 0.2870 ( 5752 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9760 -9.9760 -9.9760 -9.9760 -9.8508 -9.8508 -9.8508 -9.8508 -9.1304 -9.1304 -9.1302 -9.1302 -9.0429 -9.0429 -9.0424 -9.0424 -8.8634 -8.8634 -8.8627 -8.8627 -8.7394 -8.7394 -8.7391 -8.7391 2.8495 2.8495 2.8495 2.8495 4.1277 4.1277 4.1300 4.1300 4.2264 4.2264 4.2288 4.2288 k = 0.5625-0.7361 0.2803 ( 5762 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9759 -9.9759 -9.9759 -9.9759 -9.8510 -9.8510 -9.8510 -9.8510 -9.1311 -9.1311 -9.1307 -9.1307 -9.0424 -9.0424 -9.0413 -9.0413 -8.8639 -8.8639 -8.8626 -8.8626 -8.7396 -8.7396 -8.7390 -8.7390 2.8534 2.8534 2.8535 2.8535 4.0775 4.0775 4.0797 4.0797 4.2727 4.2727 4.2751 4.2751 k = 0.5938-0.7185 0.2735 ( 5762 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9757 -9.9757 -9.9756 -9.9756 -9.8513 -9.8513 -9.8513 -9.8513 -9.1320 -9.1320 -9.1314 -9.1314 -9.0414 -9.0414 -9.0397 -9.0397 -8.8646 -8.8646 -8.8627 -8.8627 -8.7398 -8.7398 -8.7389 -8.7389 2.8599 2.8599 2.8601 2.8601 4.0264 4.0264 4.0285 4.0285 4.3173 4.3173 4.3197 4.3197 k = 0.6250-0.7008 0.2668 ( 5766 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9753 -9.9753 -9.9753 -9.9753 -9.8517 -9.8517 -9.8516 -9.8516 -9.1332 -9.1332 -9.1325 -9.1325 -9.0399 -9.0399 -9.0378 -9.0378 -8.8654 -8.8654 -8.8629 -8.8629 -8.7400 -8.7400 -8.7389 -8.7389 2.8689 2.8689 2.8691 2.8691 3.9749 3.9749 3.9770 3.9770 4.3597 4.3597 4.3621 4.3621 k = 0.6562-0.6831 0.2601 ( 5762 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9749 -9.9749 -9.9749 -9.9749 -9.8522 -9.8522 -9.8521 -9.8521 -9.1345 -9.1345 -9.1337 -9.1337 -9.0380 -9.0380 -9.0356 -9.0356 -8.8662 -8.8662 -8.8633 -8.8633 -8.7401 -8.7401 -8.7388 -8.7388 2.8803 2.8803 2.8806 2.8806 3.9235 3.9235 3.9255 3.9255 4.3997 4.3997 4.4021 4.4021 k = 0.6875-0.6654 0.2533 ( 5738 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9744 -9.9744 -9.9744 -9.9744 -9.8527 -9.8527 -9.8526 -9.8526 -9.1360 -9.1360 -9.1351 -9.1351 -9.0358 -9.0358 -9.0332 -9.0332 -8.8671 -8.8671 -8.8639 -8.8639 -8.7403 -8.7403 -8.7388 -8.7388 2.8939 2.8939 2.8942 2.8942 3.8725 3.8725 3.8744 3.8744 4.4371 4.4371 4.4394 4.4394 k = 0.7188-0.6477 0.2466 ( 5726 PWs) bands (ev): -25.2041 -25.2041 -25.2041 -25.2041 -25.1697 -25.1697 -25.1697 -25.1697 -9.9739 -9.9739 -9.9738 -9.9738 -9.8533 -9.8533 -9.8532 -9.8532 -9.1374 -9.1374 -9.1366 -9.1366 -9.0335 -9.0335 -9.0307 -9.0307 -8.8680 -8.8680 -8.8646 -8.8646 -8.7404 -8.7404 -8.7388 -8.7388 2.9096 2.9096 2.9099 2.9099 3.8224 3.8224 3.8241 3.8241 4.4715 4.4715 4.4738 4.4738 k = 0.7500-0.6300 0.2399 ( 5732 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9733 -9.9733 -9.9733 -9.9733 -9.8539 -9.8539 -9.8538 -9.8538 -9.1389 -9.1389 -9.1381 -9.1381 -9.0310 -9.0310 -9.0282 -9.0282 -8.8689 -8.8689 -8.8654 -8.8654 -8.7405 -8.7405 -8.7389 -8.7389 2.9269 2.9269 2.9273 2.9273 3.7736 3.7736 3.7752 3.7752 4.5029 4.5029 4.5051 4.5051 k = 0.7812-0.6123 0.2331 ( 5740 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9728 -9.9728 -9.9727 -9.9727 -9.8546 -9.8546 -9.8544 -9.8544 -9.1403 -9.1403 -9.1396 -9.1396 -9.0285 -9.0285 -9.0258 -9.0258 -8.8698 -8.8698 -8.8662 -8.8662 -8.7406 -8.7406 -8.7390 -8.7390 2.9457 2.9457 2.9461 2.9461 3.7268 3.7268 3.7283 3.7283 4.5311 4.5311 4.5330 4.5330 k = 0.8125-0.5946 0.2264 ( 5746 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9722 -9.9722 -9.9722 -9.9722 -9.8552 -9.8552 -9.8551 -9.8551 -9.1416 -9.1416 -9.1409 -9.1409 -9.0261 -9.0261 -9.0235 -9.0235 -8.8706 -8.8706 -8.8672 -8.8672 -8.7406 -8.7406 -8.7392 -8.7392 2.9652 2.9652 2.9657 2.9657 3.6825 3.6825 3.6839 3.6839 4.5558 4.5558 4.5576 4.5576 k = 0.8438-0.5769 0.2197 ( 5744 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9717 -9.9717 -9.9717 -9.9717 -9.8557 -9.8557 -9.8556 -9.8556 -9.1428 -9.1428 -9.1422 -9.1422 -9.0239 -9.0239 -9.0215 -9.0215 -8.8712 -8.8712 -8.8681 -8.8681 -8.7406 -8.7406 -8.7393 -8.7393 2.9850 2.9850 2.9854 2.9854 3.6417 3.6417 3.6429 3.6429 4.5770 4.5770 4.5785 4.5785 k = 0.8750-0.5593 0.2129 ( 5738 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9713 -9.9713 -9.9712 -9.9712 -9.8562 -9.8562 -9.8561 -9.8561 -9.1437 -9.1437 -9.1432 -9.1432 -9.0219 -9.0219 -9.0199 -9.0199 -8.8717 -8.8717 -8.8691 -8.8691 -8.7406 -8.7406 -8.7395 -8.7395 3.0039 3.0039 3.0044 3.0044 3.6053 3.6053 3.6064 3.6064 4.5945 4.5945 4.5958 4.5958 k = 0.9062-0.5416 0.2062 ( 5742 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9709 -9.9709 -9.9709 -9.9709 -9.8566 -9.8566 -9.8565 -9.8565 -9.1445 -9.1445 -9.1441 -9.1441 -9.0202 -9.0202 -9.0186 -9.0186 -8.8720 -8.8720 -8.8699 -8.8699 -8.7405 -8.7405 -8.7397 -8.7397 3.0210 3.0210 3.0214 3.0214 3.5747 3.5747 3.5755 3.5755 4.6083 4.6083 4.6092 4.6092 k = 0.9375-0.5239 0.1995 ( 5744 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9706 -9.9706 -9.9706 -9.9706 -9.8569 -9.8569 -9.8569 -9.8569 -9.1450 -9.1450 -9.1447 -9.1447 -9.0188 -9.0188 -9.0177 -9.0177 -8.8722 -8.8722 -8.8707 -8.8707 -8.7404 -8.7404 -8.7398 -8.7398 3.0348 3.0348 3.0351 3.0351 3.5512 3.5512 3.5518 3.5518 4.6182 4.6182 4.6189 4.6189 k = 0.9688-0.5062 0.1927 ( 5744 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9705 -9.9705 -9.9704 -9.9704 -9.8571 -9.8571 -9.8571 -9.8571 -9.1453 -9.1453 -9.1452 -9.1452 -9.0179 -9.0179 -9.0173 -9.0173 -8.8721 -8.8721 -8.8713 -8.8713 -8.7403 -8.7403 -8.7400 -8.7400 3.0439 3.0439 3.0441 3.0441 3.5364 3.5364 3.5367 3.5367 4.6243 4.6243 4.6246 4.6246 k = 1.0000-0.4885 0.1860 ( 5740 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9704 -9.9704 -9.9704 -9.9704 -9.8571 -9.8571 -9.8571 -9.8571 -9.1454 -9.1454 -9.1454 -9.1454 -9.0174 -9.0174 -9.0174 -9.0174 -8.8718 -8.8718 -8.8718 -8.8718 -8.7402 -8.7402 -8.7402 -8.7402 3.0471 3.0471 3.0471 3.0471 3.5314 3.5314 3.5314 3.5314 4.6264 4.6264 4.6264 4.6264 k = 1.0000-0.4885 0.1860 ( 5740 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9704 -9.9704 -9.9704 -9.9704 -9.8571 -9.8571 -9.8571 -9.8571 -9.1454 -9.1454 -9.1454 -9.1454 -9.0174 -9.0174 -9.0174 -9.0174 -8.8718 -8.8718 -8.8718 -8.8718 -8.7402 -8.7402 -8.7402 -8.7402 3.0471 3.0471 3.0471 3.0471 3.5314 3.5314 3.5314 3.5314 4.6264 4.6264 4.6264 4.6264 k = 0.9808-0.4588 0.1747 ( 5742 PWs) bands (ev): -25.2044 -25.2044 -25.2043 -25.2043 -25.1695 -25.1695 -25.1695 -25.1695 -9.9720 -9.9720 -9.9697 -9.9697 -9.8581 -9.8581 -9.8551 -9.8551 -9.1463 -9.1463 -9.1456 -9.1456 -9.0176 -9.0176 -9.0163 -9.0163 -8.8734 -8.8734 -8.8700 -8.8700 -8.7418 -8.7418 -8.7385 -8.7385 3.0351 3.0351 3.0356 3.0356 3.5442 3.5442 3.5450 3.5450 4.6268 4.6268 4.6271 4.6271 k = 0.9615-0.4292 0.1634 ( 5734 PWs) bands (ev): -25.2049 -25.2049 -25.2049 -25.2049 -25.1689 -25.1689 -25.1689 -25.1689 -9.9745 -9.9745 -9.9700 -9.9700 -9.8578 -9.8578 -9.8520 -9.8520 -9.1484 -9.1484 -9.1470 -9.1470 -9.0169 -9.0169 -9.0145 -9.0145 -8.8746 -8.8746 -8.8680 -8.8680 -8.7434 -8.7434 -8.7369 -8.7369 3.0028 3.0028 3.0037 3.0037 3.5801 3.5801 3.5815 3.5815 4.6284 4.6284 4.6290 4.6290 k = 0.9423-0.3995 0.1521 ( 5740 PWs) bands (ev): -25.2058 -25.2058 -25.2058 -25.2058 -25.1680 -25.1680 -25.1680 -25.1680 -9.9777 -9.9777 -9.9714 -9.9714 -9.8564 -9.8564 -9.8481 -9.8481 -9.1514 -9.1514 -9.1496 -9.1496 -9.0154 -9.0154 -9.0121 -9.0121 -8.8757 -8.8757 -8.8657 -8.8657 -8.7449 -8.7449 -8.7353 -8.7353 2.9571 2.9571 2.9582 2.9582 3.6324 3.6324 3.6342 3.6342 4.6310 4.6310 4.6321 4.6321 k = 0.9231-0.3698 0.1408 ( 5730 PWs) bands (ev): -25.2070 -25.2070 -25.2069 -25.2069 -25.1669 -25.1669 -25.1668 -25.1668 -9.9815 -9.9815 -9.9736 -9.9736 -9.8540 -9.8540 -9.8436 -9.8436 -9.1554 -9.1554 -9.1532 -9.1532 -9.0133 -9.0133 -9.0092 -9.0092 -8.8764 -8.8764 -8.8632 -8.8632 -8.7464 -8.7464 -8.7337 -8.7337 2.9038 2.9038 2.9050 2.9050 3.6951 3.6951 3.6973 3.6973 4.6348 4.6348 4.6362 4.6362 k = 0.9038-0.3401 0.1295 ( 5734 PWs) bands (ev): -25.2084 -25.2084 -25.2083 -25.2083 -25.1655 -25.1655 -25.1654 -25.1654 -9.9856 -9.9856 -9.9765 -9.9765 -9.8506 -9.8506 -9.8385 -9.8385 -9.1600 -9.1600 -9.1577 -9.1577 -9.0106 -9.0106 -9.0059 -9.0059 -8.8768 -8.8768 -8.8605 -8.8605 -8.7478 -8.7478 -8.7322 -8.7322 2.8467 2.8467 2.8478 2.8478 3.7644 3.7644 3.7668 3.7668 4.6397 4.6397 4.6414 4.6414 k = 0.8846-0.3105 0.1182 ( 5736 PWs) bands (ev): -25.2099 -25.2099 -25.2098 -25.2098 -25.1639 -25.1639 -25.1638 -25.1638 -9.9900 -9.9900 -9.9801 -9.9801 -9.8465 -9.8465 -9.8330 -9.8330 -9.1652 -9.1652 -9.1629 -9.1629 -9.0076 -9.0076 -9.0026 -9.0026 -8.8768 -8.8768 -8.8576 -8.8576 -8.7492 -8.7492 -8.7308 -8.7308 2.7880 2.7880 2.7891 2.7891 3.8379 3.8379 3.8405 3.8405 4.6456 4.6456 4.6476 4.6476 k = 0.8654-0.2808 0.1069 ( 5750 PWs) bands (ev): -25.2116 -25.2116 -25.2115 -25.2115 -25.1623 -25.1623 -25.1622 -25.1622 -9.9946 -9.9946 -9.9842 -9.9842 -9.8418 -9.8418 -9.8273 -9.8273 -9.1708 -9.1708 -9.1686 -9.1686 -9.0043 -9.0043 -8.9991 -8.9991 -8.8765 -8.8765 -8.8544 -8.8544 -8.7505 -8.7505 -8.7295 -8.7295 2.7293 2.7293 2.7303 2.7303 3.9140 3.9140 3.9167 3.9167 4.6525 4.6525 4.6548 4.6548 k = 0.8462-0.2511 0.0956 ( 5744 PWs) bands (ev): -25.2133 -25.2133 -25.2132 -25.2132 -25.1606 -25.1606 -25.1604 -25.1604 -9.9992 -9.9992 -9.9885 -9.9885 -9.8366 -9.8366 -9.8214 -9.8214 -9.1767 -9.1767 -9.1747 -9.1747 -9.0009 -9.0009 -8.9958 -8.9958 -8.8758 -8.8758 -8.8510 -8.8510 -8.7518 -8.7518 -8.7284 -8.7284 2.6714 2.6714 2.6723 2.6723 3.9917 3.9917 3.9946 3.9946 4.6603 4.6603 4.6628 4.6628 k = 0.8269-0.2214 0.0843 ( 5750 PWs) bands (ev): -25.2150 -25.2150 -25.2149 -25.2149 -25.1588 -25.1588 -25.1587 -25.1587 -10.0037 -10.0037 -9.9930 -9.9930 -9.8312 -9.8312 -9.8155 -9.8155 -9.1827 -9.1827 -9.1810 -9.1810 -8.9976 -8.9976 -8.9926 -8.9926 -8.8747 -8.8747 -8.8474 -8.8474 -8.7530 -8.7530 -8.7273 -8.7273 2.6149 2.6149 2.6158 2.6158 4.0702 4.0702 4.0732 4.0732 4.6690 4.6690 4.6717 4.6717 k = 0.8077-0.1918 0.0730 ( 5746 PWs) bands (ev): -25.2168 -25.2168 -25.2166 -25.2166 -25.1570 -25.1570 -25.1569 -25.1569 -10.0082 -10.0082 -9.9976 -9.9976 -9.8255 -9.8255 -9.8095 -9.8095 -9.1889 -9.1889 -9.1875 -9.1875 -8.9944 -8.9944 -8.9896 -8.9896 -8.8731 -8.8731 -8.8437 -8.8437 -8.7542 -8.7542 -8.7265 -8.7265 2.5603 2.5603 2.5611 2.5611 4.1490 4.1490 4.1520 4.1520 4.6785 4.6785 4.6814 4.6814 k = 0.7885-0.1621 0.0617 ( 5750 PWs) bands (ev): -25.2185 -25.2185 -25.2184 -25.2184 -25.1553 -25.1553 -25.1551 -25.1551 -10.0126 -10.0126 -10.0022 -10.0022 -9.8198 -9.8198 -9.8037 -9.8037 -9.1951 -9.1951 -9.1941 -9.1941 -8.9914 -8.9914 -8.9869 -8.9869 -8.8712 -8.8712 -8.8398 -8.8398 -8.7552 -8.7552 -8.7258 -8.7258 2.5080 2.5080 2.5087 2.5087 4.2275 4.2275 4.2305 4.2305 4.6887 4.6887 4.6918 4.6918 k = 0.7692-0.1324 0.0504 ( 5746 PWs) bands (ev): -25.2202 -25.2202 -25.2200 -25.2200 -25.1536 -25.1536 -25.1534 -25.1534 -10.0168 -10.0168 -10.0067 -10.0067 -9.8140 -9.8140 -9.7981 -9.7981 -9.2012 -9.2012 -9.2006 -9.2006 -8.9887 -8.9887 -8.9845 -8.9845 -8.8688 -8.8688 -8.8358 -8.8358 -8.7562 -8.7562 -8.7253 -8.7253 2.4581 2.4581 2.4588 2.4588 4.3051 4.3051 4.3082 4.3082 4.6997 4.6997 4.7029 4.7029 k = 0.7500-0.1027 0.0391 ( 5754 PWs) bands (ev): -25.2218 -25.2218 -25.2216 -25.2216 -25.1520 -25.1520 -25.1518 -25.1518 -10.0208 -10.0208 -10.0111 -10.0111 -9.8082 -9.8082 -9.7927 -9.7927 -9.2073 -9.2073 -9.2070 -9.2070 -8.9862 -8.9862 -8.9824 -8.9824 -8.8661 -8.8661 -8.8318 -8.8318 -8.7571 -8.7571 -8.7251 -8.7251 2.4110 2.4110 2.4116 2.4116 4.3812 4.3812 4.3843 4.3843 4.7114 4.7114 4.7148 4.7148 k = 0.7308-0.0731 0.0278 ( 5756 PWs) bands (ev): -25.2233 -25.2233 -25.2232 -25.2232 -25.1504 -25.1504 -25.1502 -25.1502 -10.0245 -10.0245 -10.0154 -10.0154 -9.8026 -9.8026 -9.7875 -9.7875 -9.2132 -9.2132 -9.2131 -9.2131 -8.9841 -8.9841 -8.9805 -8.9805 -8.8630 -8.8630 -8.8279 -8.8279 -8.7579 -8.7579 -8.7251 -8.7251 2.3667 2.3667 2.3672 2.3672 4.4552 4.4552 4.4582 4.4582 4.7242 4.7242 4.7277 4.7277 k = 0.7115-0.0434 0.0165 ( 5754 PWs) bands (ev): -25.2248 -25.2248 -25.2246 -25.2246 -25.1489 -25.1489 -25.1487 -25.1487 -10.0280 -10.0280 -10.0194 -10.0194 -9.7971 -9.7971 -9.7827 -9.7827 -9.2191 -9.2191 -9.2187 -9.2187 -8.9822 -8.9822 -8.9790 -8.9790 -8.8595 -8.8595 -8.8241 -8.8241 -8.7586 -8.7586 -8.7253 -8.7253 2.3256 2.3256 2.3260 2.3260 4.5258 4.5258 4.5287 4.5287 4.7385 4.7385 4.7420 4.7420 k = 0.6923-0.0137 0.0052 ( 5758 PWs) bands (ev): -25.2262 -25.2262 -25.2260 -25.2260 -25.1475 -25.1475 -25.1474 -25.1474 -10.0312 -10.0312 -10.0232 -10.0232 -9.7919 -9.7919 -9.7782 -9.7782 -9.2247 -9.2247 -9.2240 -9.2240 -8.9806 -8.9806 -8.9777 -8.9777 -8.8559 -8.8559 -8.8206 -8.8206 -8.7590 -8.7590 -8.7259 -8.7259 2.2876 2.2876 2.2879 2.2879 4.5913 4.5913 4.5941 4.5941 4.7555 4.7555 4.7591 4.7591 k = 0.6731 0.0159-0.0061 ( 5758 PWs) bands (ev): -25.2274 -25.2274 -25.2273 -25.2273 -25.1462 -25.1462 -25.1461 -25.1461 -10.0341 -10.0341 -10.0268 -10.0268 -9.7869 -9.7869 -9.7741 -9.7741 -9.2299 -9.2299 -9.2290 -9.2290 -8.9792 -8.9792 -8.9766 -8.9766 -8.8520 -8.8520 -8.8174 -8.8174 -8.7593 -8.7593 -8.7266 -8.7266 2.2529 2.2529 2.2532 2.2532 4.6482 4.6482 4.6508 4.6508 4.7781 4.7781 4.7816 4.7816 k = 0.6538 0.0456-0.0174 ( 5770 PWs) bands (ev): -25.2286 -25.2286 -25.2284 -25.2284 -25.1451 -25.1451 -25.1449 -25.1449 -10.0366 -10.0366 -10.0301 -10.0301 -9.7822 -9.7822 -9.7704 -9.7704 -9.2346 -9.2346 -9.2337 -9.2337 -8.9781 -8.9781 -8.9758 -8.9758 -8.8480 -8.8480 -8.8147 -8.8147 -8.7591 -8.7591 -8.7277 -8.7277 2.2216 2.2216 2.2218 2.2218 4.6918 4.6918 4.6941 4.6941 4.8103 4.8103 4.8137 4.8137 k = 0.6346 0.0753-0.0287 ( 5760 PWs) bands (ev): -25.2296 -25.2296 -25.2294 -25.2294 -25.1440 -25.1440 -25.1439 -25.1439 -10.0389 -10.0389 -10.0330 -10.0330 -9.7778 -9.7778 -9.7672 -9.7672 -9.2389 -9.2389 -9.2379 -9.2379 -8.9771 -8.9771 -8.9751 -8.9751 -8.8439 -8.8439 -8.8126 -8.8126 -8.7586 -8.7586 -8.7290 -8.7290 2.1937 2.1937 2.1940 2.1940 4.7205 4.7205 4.7227 4.7227 4.8526 4.8526 4.8558 4.8558 k = 0.6154 0.1050-0.0400 ( 5762 PWs) bands (ev): -25.2305 -25.2305 -25.2303 -25.2303 -25.1431 -25.1431 -25.1429 -25.1429 -10.0407 -10.0407 -10.0357 -10.0357 -9.7738 -9.7738 -9.7645 -9.7645 -9.2427 -9.2427 -9.2417 -9.2417 -8.9764 -8.9764 -8.9746 -8.9746 -8.8397 -8.8397 -8.8112 -8.8112 -8.7576 -8.7576 -8.7305 -8.7305 2.1695 2.1695 2.1697 2.1697 4.7390 4.7390 4.7410 4.7410 4.8997 4.8997 4.9026 4.9026 k = 0.5962 0.1346-0.0513 ( 5774 PWs) bands (ev): -25.2313 -25.2313 -25.2311 -25.2311 -25.1423 -25.1423 -25.1422 -25.1422 -10.0423 -10.0423 -10.0381 -10.0381 -9.7703 -9.7703 -9.7623 -9.7623 -9.2459 -9.2459 -9.2450 -9.2450 -8.9757 -8.9757 -8.9742 -8.9742 -8.8357 -8.8357 -8.8106 -8.8106 -8.7562 -8.7562 -8.7324 -8.7324 2.1489 2.1489 2.1490 2.1490 4.7517 4.7517 4.7535 4.7535 4.9459 4.9459 4.9485 4.9485 k = 0.5769 0.1643-0.0626 ( 5766 PWs) bands (ev): -25.2319 -25.2319 -25.2317 -25.2317 -25.1417 -25.1417 -25.1415 -25.1415 -10.0435 -10.0435 -10.0401 -10.0401 -9.7671 -9.7671 -9.7607 -9.7607 -9.2486 -9.2486 -9.2477 -9.2477 -8.9752 -8.9752 -8.9740 -8.9740 -8.8317 -8.8317 -8.8108 -8.8108 -8.7544 -8.7544 -8.7344 -8.7344 2.1319 2.1319 2.1321 2.1321 4.7609 4.7609 4.7624 4.7624 4.9877 4.9877 4.9899 4.9899 k = 0.5577 0.1940-0.0739 ( 5764 PWs) bands (ev): -25.2324 -25.2324 -25.2322 -25.2322 -25.1411 -25.1411 -25.1410 -25.1410 -10.0443 -10.0443 -10.0417 -10.0417 -9.7645 -9.7645 -9.7596 -9.7596 -9.2506 -9.2506 -9.2499 -9.2499 -8.9748 -8.9748 -8.9739 -8.9739 -8.8279 -8.8279 -8.8117 -8.8117 -8.7522 -8.7522 -8.7367 -8.7367 2.1187 2.1187 2.1188 2.1188 4.7676 4.7676 4.7688 4.7688 5.0229 5.0229 5.0246 5.0246 k = 0.5385 0.2237-0.0852 ( 5772 PWs) bands (ev): -25.2328 -25.2328 -25.2326 -25.2326 -25.1408 -25.1408 -25.1406 -25.1406 -10.0448 -10.0448 -10.0431 -10.0431 -9.7623 -9.7623 -9.7590 -9.7590 -9.2520 -9.2520 -9.2516 -9.2516 -8.9744 -8.9744 -8.9738 -8.9738 -8.8243 -8.8243 -8.8132 -8.8132 -8.7497 -8.7497 -8.7391 -8.7391 2.1092 2.1092 2.1093 2.1093 4.7724 4.7724 4.7732 4.7732 5.0495 5.0495 5.0507 5.0507 k = 0.5192 0.2533-0.0965 ( 5768 PWs) bands (ev): -25.2330 -25.2330 -25.2328 -25.2328 -25.1406 -25.1406 -25.1404 -25.1404 -10.0449 -10.0449 -10.0440 -10.0440 -9.7607 -9.7607 -9.7590 -9.7590 -9.2529 -9.2529 -9.2526 -9.2526 -8.9742 -8.9742 -8.9739 -8.9739 -8.8209 -8.8209 -8.8153 -8.8153 -8.7471 -8.7471 -8.7417 -8.7417 2.1035 2.1035 2.1036 2.1036 4.7752 4.7752 4.7756 4.7756 5.0663 5.0663 5.0669 5.0669 k = 0.5000 0.2830-0.1078 ( 5764 PWs) bands (ev): -25.2330 -25.2330 -25.2329 -25.2329 -25.1405 -25.1405 -25.1403 -25.1403 -10.0447 -10.0447 -10.0446 -10.0446 -9.7596 -9.7596 -9.7595 -9.7595 -9.2531 -9.2531 -9.2530 -9.2530 -8.9740 -8.9740 -8.9740 -8.9740 -8.8179 -8.8179 -8.8179 -8.8179 -8.7445 -8.7445 -8.7443 -8.7443 2.1016 2.1016 2.1017 2.1017 4.7763 4.7763 4.7763 4.7763 5.0721 5.0721 5.0722 5.0722 k = 0.5000 0.2830-0.1078 ( 5764 PWs) bands (ev): -25.2330 -25.2330 -25.2329 -25.2329 -25.1405 -25.1405 -25.1403 -25.1403 -10.0447 -10.0447 -10.0446 -10.0446 -9.7596 -9.7596 -9.7595 -9.7595 -9.2531 -9.2531 -9.2530 -9.2530 -8.9740 -8.9740 -8.9740 -8.9740 -8.8179 -8.8179 -8.8179 -8.8179 -8.7445 -8.7445 -8.7443 -8.7443 2.1016 2.1016 2.1017 2.1017 4.7763 4.7763 4.7763 4.7763 5.0721 5.0721 5.0722 5.0722 k = 0.4688 0.2653-0.1010 ( 5774 PWs) bands (ev): -25.2345 -25.2345 -25.2314 -25.2314 -25.1420 -25.1420 -25.1389 -25.1389 -10.0475 -10.0475 -10.0417 -10.0417 -9.7670 -9.7670 -9.7521 -9.7521 -9.2606 -9.2606 -9.2454 -9.2454 -8.9774 -8.9774 -8.9708 -8.9708 -8.8184 -8.8184 -8.8174 -8.8174 -8.7456 -8.7456 -8.7432 -8.7432 2.0439 2.0439 2.1624 2.1624 4.7030 4.7030 4.8477 4.8477 5.0278 5.0278 5.1181 5.1181 k = 0.4375 0.2476-0.0943 ( 5770 PWs) bands (ev): -25.2360 -25.2360 -25.2297 -25.2297 -25.1437 -25.1437 -25.1374 -25.1374 -10.0503 -10.0503 -10.0386 -10.0386 -9.7744 -9.7744 -9.7447 -9.7447 -9.2681 -9.2681 -9.2378 -9.2378 -8.9811 -8.9811 -8.9679 -8.9679 -8.8187 -8.8187 -8.8169 -8.8169 -8.7467 -8.7467 -8.7420 -8.7420 1.9892 1.9892 2.2260 2.2260 4.6283 4.6283 4.9166 4.9166 4.9848 4.9848 5.1660 5.1660 k = 0.4062 0.2299-0.0875 ( 5774 PWs) bands (ev): -25.2374 -25.2374 -25.2281 -25.2281 -25.1453 -25.1453 -25.1360 -25.1360 -10.0529 -10.0529 -10.0355 -10.0355 -9.7817 -9.7817 -9.7374 -9.7374 -9.2754 -9.2754 -9.2302 -9.2302 -8.9850 -8.9850 -8.9653 -8.9653 -8.8190 -8.8190 -8.8163 -8.8163 -8.7478 -8.7478 -8.7408 -8.7408 1.9378 1.9378 2.2922 2.2922 4.5525 4.5525 4.9432 4.9432 4.9818 4.9818 5.2169 5.2169 k = 0.3750 0.2123-0.0808 ( 5768 PWs) bands (ev): -25.2387 -25.2387 -25.2264 -25.2264 -25.1470 -25.1470 -25.1346 -25.1346 -10.0554 -10.0554 -10.0323 -10.0323 -9.7887 -9.7887 -9.7302 -9.7302 -9.2825 -9.2825 -9.2226 -9.2226 -8.9891 -8.9891 -8.9629 -8.9629 -8.8192 -8.8192 -8.8156 -8.8156 -8.7488 -8.7488 -8.7396 -8.7396 1.8898 1.8898 2.3608 2.3608 4.4756 4.4756 4.9031 4.9031 5.0421 5.0421 5.2717 5.2717 k = 0.3438 0.1946-0.0741 ( 5772 PWs) bands (ev): -25.2399 -25.2399 -25.2247 -25.2247 -25.1488 -25.1488 -25.1334 -25.1334 -10.0577 -10.0577 -10.0291 -10.0291 -9.7956 -9.7956 -9.7232 -9.7232 -9.2894 -9.2894 -9.2153 -9.2153 -8.9934 -8.9934 -8.9608 -8.9608 -8.8194 -8.8194 -8.8150 -8.8150 -8.7498 -8.7498 -8.7384 -8.7384 1.8452 1.8452 2.4317 2.4317 4.3978 4.3978 4.8648 4.8648 5.0963 5.0963 5.3315 5.3315 k = 0.3125 0.1769-0.0673 ( 5758 PWs) bands (ev): -25.2411 -25.2411 -25.2230 -25.2230 -25.1504 -25.1504 -25.1322 -25.1322 -10.0598 -10.0598 -10.0259 -10.0259 -9.8022 -9.8022 -9.7166 -9.7166 -9.2960 -9.2960 -9.2080 -9.2080 -8.9977 -8.9977 -8.9589 -8.9589 -8.8194 -8.8194 -8.8143 -8.8143 -8.7507 -8.7507 -8.7373 -8.7373 1.8042 1.8042 2.5045 2.5045 4.3192 4.3192 4.8287 4.8287 5.1438 5.1438 5.3965 5.3965 k = 0.2812 0.1592-0.0606 ( 5744 PWs) bands (ev): -25.2421 -25.2421 -25.2214 -25.2214 -25.1521 -25.1521 -25.1311 -25.1311 -10.0618 -10.0618 -10.0228 -10.0228 -9.8084 -9.8084 -9.7102 -9.7102 -9.3022 -9.3022 -9.2010 -9.2010 -9.0021 -9.0021 -8.9573 -8.9573 -8.8194 -8.8194 -8.8137 -8.8137 -8.7515 -8.7515 -8.7362 -8.7362 1.7668 1.7668 2.5789 2.5789 4.2399 4.2399 4.7950 4.7950 5.1848 5.1848 5.4664 5.4664 k = 0.2500 0.1415-0.0539 ( 5748 PWs) bands (ev): -25.2431 -25.2431 -25.2198 -25.2198 -25.1537 -25.1537 -25.1301 -25.1301 -10.0636 -10.0636 -10.0198 -10.0198 -9.8142 -9.8142 -9.7042 -9.7042 -9.3080 -9.3080 -9.1944 -9.1944 -9.0065 -9.0065 -8.9559 -8.9559 -8.8194 -8.8194 -8.8131 -8.8131 -8.7523 -8.7523 -8.7352 -8.7352 1.7332 1.7332 2.6545 2.6545 4.1601 4.1601 4.7640 4.7640 5.2198 5.2198 5.5401 5.5401 k = 0.2188 0.1238-0.0471 ( 5754 PWs) bands (ev): -25.2439 -25.2439 -25.2183 -25.2183 -25.1552 -25.1552 -25.1293 -25.1293 -10.0651 -10.0651 -10.0170 -10.0170 -9.8196 -9.8196 -9.6988 -9.6988 -9.3133 -9.3133 -9.1881 -9.1881 -9.0108 -9.0108 -8.9547 -8.9547 -8.8194 -8.8194 -8.8125 -8.8125 -8.7530 -8.7530 -8.7343 -8.7343 1.7033 1.7033 2.7308 2.7308 4.0803 4.0803 4.7361 4.7361 5.2496 5.2496 5.6165 5.6165 k = 0.1875 0.1061-0.0404 ( 5758 PWs) bands (ev): -25.2447 -25.2447 -25.2169 -25.2169 -25.1566 -25.1566 -25.1285 -25.1285 -10.0665 -10.0665 -10.0143 -10.0143 -9.8245 -9.8245 -9.6939 -9.6939 -9.3181 -9.3181 -9.1823 -9.1823 -9.0149 -9.0149 -8.9537 -8.9537 -8.8193 -8.8193 -8.8120 -8.8120 -8.7536 -8.7536 -8.7335 -8.7335 1.6773 1.6773 2.8071 2.8071 4.0011 4.0011 4.7115 4.7115 5.2746 5.2746 5.6940 5.6940 k = 0.1562 0.0884-0.0337 ( 5750 PWs) bands (ev): -25.2453 -25.2453 -25.2156 -25.2156 -25.1579 -25.1579 -25.1279 -25.1279 -10.0677 -10.0677 -10.0120 -10.0120 -9.8288 -9.8288 -9.6896 -9.6896 -9.3223 -9.3223 -9.1771 -9.1771 -9.0186 -9.0186 -8.9529 -8.9529 -8.8192 -8.8192 -8.8115 -8.8115 -8.7540 -8.7540 -8.7328 -8.7328 1.6552 1.6552 2.8824 2.8824 3.9234 3.9234 4.6903 4.6903 5.2954 5.2954 5.7602 5.7602 k = 0.1250 0.0708-0.0269 ( 5754 PWs) bands (ev): -25.2458 -25.2458 -25.2145 -25.2145 -25.1590 -25.1590 -25.1273 -25.1273 -10.0686 -10.0686 -10.0099 -10.0099 -9.8324 -9.8324 -9.6859 -9.6859 -9.3258 -9.3258 -9.1726 -9.1726 -9.0220 -9.0220 -8.9523 -8.9523 -8.8191 -8.8191 -8.8112 -8.8112 -8.7545 -8.7545 -8.7322 -8.7322 1.6371 1.6371 2.9549 2.9549 3.8490 3.8490 4.6728 4.6728 5.3122 5.3122 5.7585 5.7585 k = 0.0938 0.0531-0.0202 ( 5750 PWs) bands (ev): -25.2462 -25.2462 -25.2136 -25.2136 -25.1599 -25.1599 -25.1269 -25.1269 -10.0694 -10.0694 -10.0083 -10.0083 -9.8353 -9.8353 -9.6830 -9.6830 -9.3286 -9.3286 -9.1689 -9.1689 -9.0248 -9.0248 -8.9518 -8.9518 -8.8190 -8.8190 -8.8109 -8.8109 -8.7548 -8.7548 -8.7317 -8.7317 1.6230 1.6230 3.0220 3.0220 3.7803 3.7803 4.6590 4.6590 5.3251 5.3251 5.7511 5.7511 k = 0.0625 0.0354-0.0135 ( 5751 PWs) bands (ev): -25.2465 -25.2465 -25.2130 -25.2130 -25.1605 -25.1605 -25.1266 -25.1266 -10.0699 -10.0699 -10.0071 -10.0071 -9.8374 -9.8374 -9.6809 -9.6809 -9.3307 -9.3307 -9.1662 -9.1662 -9.0269 -9.0269 -8.9515 -8.9515 -8.8190 -8.8190 -8.8106 -8.8106 -8.7550 -8.7550 -8.7313 -8.7313 1.6129 1.6129 3.0792 3.0792 3.7220 3.7220 4.6491 4.6491 5.3343 5.3343 5.7455 5.7455 k = 0.0312 0.0177-0.0067 ( 5739 PWs) bands (ev): -25.2467 -25.2467 -25.2126 -25.2126 -25.1609 -25.1609 -25.1264 -25.1264 -10.0702 -10.0702 -10.0063 -10.0063 -9.8387 -9.8387 -9.6796 -9.6796 -9.3319 -9.3319 -9.1644 -9.1644 -9.0282 -9.0282 -8.9512 -8.9512 -8.8189 -8.8189 -8.8105 -8.8105 -8.7551 -8.7551 -8.7311 -8.7311 1.6068 1.6068 3.1195 3.1195 3.6810 3.6810 4.6432 4.6432 5.3398 5.3398 5.7421 5.7421 k = 0.0000 0.0000 0.0000 ( 5741 PWs) bands (ev): -25.2468 -25.2468 -25.2124 -25.2124 -25.1611 -25.1611 -25.1264 -25.1264 -10.0704 -10.0704 -10.0061 -10.0061 -9.8391 -9.8391 -9.6792 -9.6792 -9.3323 -9.3323 -9.1639 -9.1639 -9.0286 -9.0286 -8.9512 -8.9512 -8.8189 -8.8189 -8.8105 -8.8105 -8.7552 -8.7552 -8.7310 -8.7310 1.6048 1.6048 3.1344 3.1344 3.6659 3.6659 4.6412 4.6412 5.3416 5.3416 5.7409 5.7409 k = 0.0000 0.0000 0.0000 ( 5741 PWs) bands (ev): -25.2468 -25.2468 -25.2124 -25.2124 -25.1611 -25.1611 -25.1264 -25.1264 -10.0704 -10.0704 -10.0061 -10.0061 -9.8391 -9.8391 -9.6792 -9.6792 -9.3323 -9.3323 -9.1639 -9.1639 -9.0286 -9.0286 -8.9512 -8.9512 -8.8189 -8.8189 -8.8105 -8.8105 -8.7552 -8.7552 -8.7310 -8.7310 1.6048 1.6048 3.1344 3.1344 3.6659 3.6659 4.6412 4.6412 5.3416 5.3416 5.7409 5.7409 k = 0.0000 0.0131 0.0345 ( 5741 PWs) bands (ev): -25.2467 -25.2467 -25.2124 -25.2124 -25.1610 -25.1610 -25.1264 -25.1264 -10.0703 -10.0703 -10.0061 -10.0061 -9.8392 -9.8392 -9.6795 -9.6795 -9.3322 -9.3322 -9.1641 -9.1641 -9.0287 -9.0287 -8.9516 -8.9516 -8.8197 -8.8197 -8.8105 -8.8105 -8.7553 -8.7553 -8.7313 -8.7313 1.6070 1.6070 3.1369 3.1369 3.6671 3.6671 4.6436 4.6436 5.3443 5.3443 5.7411 5.7411 k = 0.0000 0.0262 0.0689 ( 5741 PWs) bands (ev): -25.2465 -25.2465 -25.2123 -25.2123 -25.1609 -25.1609 -25.1263 -25.1263 -10.0702 -10.0702 -10.0061 -10.0061 -9.8396 -9.8396 -9.6803 -9.6803 -9.3316 -9.3316 -9.1649 -9.1649 -9.0291 -9.0291 -8.9529 -8.9529 -8.8219 -8.8219 -8.8108 -8.8108 -8.7558 -8.7558 -8.7319 -8.7319 1.6139 1.6139 3.1442 3.1442 3.6709 3.6709 4.6508 4.6508 5.3523 5.3523 5.7417 5.7417 k = 0.0000 0.0394 0.1034 ( 5753 PWs) bands (ev): -25.2462 -25.2462 -25.2120 -25.2120 -25.1607 -25.1607 -25.1262 -25.1262 -10.0701 -10.0701 -10.0062 -10.0062 -9.8401 -9.8401 -9.6817 -9.6817 -9.3308 -9.3308 -9.1662 -9.1662 -9.0297 -9.0297 -8.9550 -8.9550 -8.8254 -8.8254 -8.8116 -8.8116 -8.7567 -8.7567 -8.7330 -8.7330 1.6253 1.6253 3.1563 3.1563 3.6770 3.6770 4.6628 4.6628 5.3654 5.3654 5.7426 5.7426 k = 0.0000 0.0525 0.1379 ( 5759 PWs) bands (ev): -25.2457 -25.2457 -25.2118 -25.2118 -25.1604 -25.1604 -25.1261 -25.1261 -10.0699 -10.0699 -10.0063 -10.0063 -9.8410 -9.8410 -9.6836 -9.6836 -9.3296 -9.3296 -9.1679 -9.1679 -9.0307 -9.0307 -8.9579 -8.9579 -8.8300 -8.8300 -8.8129 -8.8129 -8.7579 -8.7579 -8.7343 -8.7343 1.6412 1.6412 3.1732 3.1732 3.6856 3.6856 4.6796 4.6796 5.3836 5.3836 5.7438 5.7438 k = 0.0000 0.0656 0.1724 ( 5755 PWs) bands (ev): -25.2451 -25.2451 -25.2114 -25.2114 -25.1600 -25.1600 -25.1259 -25.1259 -10.0696 -10.0696 -10.0065 -10.0065 -9.8420 -9.8420 -9.6861 -9.6861 -9.3280 -9.3280 -9.1702 -9.1702 -9.0319 -9.0319 -8.9614 -8.9614 -8.8356 -8.8356 -8.8147 -8.8147 -8.7596 -8.7596 -8.7358 -8.7358 1.6615 1.6615 3.1949 3.1949 3.6965 3.6965 4.7011 4.7011 5.4064 5.4064 5.7453 5.7453 k = 0.0000 0.0787 0.2068 ( 5771 PWs) bands (ev): -25.2443 -25.2443 -25.2109 -25.2109 -25.1595 -25.1595 -25.1257 -25.1257 -10.0694 -10.0694 -10.0067 -10.0067 -9.8433 -9.8433 -9.6891 -9.6891 -9.3262 -9.3262 -9.1729 -9.1729 -9.0334 -9.0334 -8.9656 -8.9656 -8.8421 -8.8421 -8.8173 -8.8173 -8.7618 -8.7618 -8.7374 -8.7374 1.6863 1.6863 3.2211 3.2211 3.7097 3.7097 4.7273 4.7273 5.4335 5.4335 5.7471 5.7471 k = 0.0000 0.0919 0.2413 ( 5759 PWs) bands (ev): -25.2434 -25.2434 -25.2104 -25.2104 -25.1589 -25.1589 -25.1255 -25.1255 -10.0690 -10.0690 -10.0070 -10.0070 -9.8449 -9.8449 -9.6927 -9.6927 -9.3241 -9.3241 -9.1760 -9.1760 -9.0354 -9.0354 -8.9703 -8.9703 -8.8494 -8.8494 -8.8207 -8.8207 -8.7643 -8.7643 -8.7390 -8.7390 1.7153 1.7153 3.2518 3.2518 3.7250 3.7250 4.7581 4.7581 5.4643 5.4643 5.7491 5.7491 k = 0.0000 0.1050 0.2758 ( 5759 PWs) bands (ev): -25.2425 -25.2425 -25.2098 -25.2098 -25.1583 -25.1583 -25.1252 -25.1252 -10.0687 -10.0687 -10.0073 -10.0073 -9.8468 -9.8468 -9.6968 -9.6968 -9.3218 -9.3218 -9.1794 -9.1794 -9.0380 -9.0380 -8.9753 -8.9753 -8.8576 -8.8576 -8.8248 -8.8248 -8.7671 -8.7671 -8.7405 -8.7405 1.7486 1.7486 3.2868 3.2868 3.7425 3.7425 4.7935 4.7935 5.4981 5.4981 5.7512 5.7512 k = 0.0000 0.1181 0.3102 ( 5753 PWs) bands (ev): -25.2413 -25.2413 -25.2091 -25.2091 -25.1575 -25.1575 -25.1250 -25.1250 -10.0683 -10.0683 -10.0077 -10.0077 -9.8489 -9.8489 -9.7014 -9.7014 -9.3192 -9.3192 -9.1832 -9.1832 -9.0410 -9.0410 -8.9806 -8.9806 -8.8664 -8.8664 -8.8297 -8.8297 -8.7701 -8.7701 -8.7419 -8.7419 1.7861 1.7861 3.3260 3.3260 3.7618 3.7618 4.8332 4.8332 5.5341 5.5341 5.7535 5.7535 k = 0.0000 0.1312 0.3447 ( 5759 PWs) bands (ev): -25.2401 -25.2401 -25.2083 -25.2083 -25.1567 -25.1567 -25.1247 -25.1247 -10.0680 -10.0680 -10.0083 -10.0083 -9.8513 -9.8513 -9.7066 -9.7066 -9.3165 -9.3165 -9.1873 -9.1873 -9.0448 -9.0448 -8.9859 -8.9859 -8.8759 -8.8759 -8.8355 -8.8355 -8.7732 -8.7732 -8.7433 -8.7433 1.8276 1.8276 3.3693 3.3693 3.7831 3.7831 4.8772 4.8772 5.5710 5.5710 5.7557 5.7557 k = 0.0000 0.1444 0.3792 ( 5759 PWs) bands (ev): -25.2388 -25.2388 -25.2075 -25.2075 -25.1559 -25.1559 -25.1244 -25.1244 -10.0676 -10.0676 -10.0089 -10.0089 -9.8540 -9.8540 -9.7124 -9.7124 -9.3137 -9.3137 -9.1915 -9.1915 -9.0494 -9.0494 -8.9911 -8.9911 -8.8859 -8.8859 -8.8419 -8.8419 -8.7763 -8.7763 -8.7445 -8.7445 1.8731 1.8731 3.4163 3.4163 3.8061 3.8061 4.9254 4.9254 5.6075 5.6075 5.7579 5.7579 k = 0.0000 0.1575 0.4136 ( 5763 PWs) bands (ev): -25.2373 -25.2373 -25.2066 -25.2066 -25.1549 -25.1549 -25.1240 -25.1240 -10.0672 -10.0672 -10.0097 -10.0097 -9.8571 -9.8571 -9.7186 -9.7186 -9.3108 -9.3108 -9.1959 -9.1959 -9.0547 -9.0547 -8.9961 -8.9961 -8.8964 -8.8964 -8.8491 -8.8491 -8.7794 -8.7794 -8.7457 -8.7457 1.9223 1.9223 3.4668 3.4668 3.8307 3.8307 4.9774 4.9774 5.6418 5.6418 5.7600 5.7600 k = 0.0000 0.1706 0.4481 ( 5763 PWs) bands (ev): -25.2358 -25.2358 -25.2057 -25.2057 -25.1540 -25.1540 -25.1237 -25.1237 -10.0669 -10.0669 -10.0106 -10.0106 -9.8604 -9.8604 -9.7254 -9.7254 -9.3080 -9.3080 -9.2002 -9.2002 -9.0608 -9.0608 -9.0008 -9.0008 -8.9073 -8.9073 -8.8567 -8.8567 -8.7823 -8.7823 -8.7469 -8.7469 1.9753 1.9753 3.5208 3.5208 3.8568 3.8568 5.0331 5.0331 5.6721 5.6721 5.7618 5.7618 k = 0.0000 0.1837 0.4826 ( 5767 PWs) bands (ev): -25.2342 -25.2342 -25.2047 -25.2047 -25.1530 -25.1530 -25.1234 -25.1234 -10.0666 -10.0666 -10.0116 -10.0116 -9.8641 -9.8641 -9.7326 -9.7326 -9.3054 -9.3054 -9.2043 -9.2043 -9.0676 -9.0676 -9.0052 -9.0052 -8.9184 -8.9184 -8.8647 -8.8647 -8.7851 -8.7851 -8.7480 -8.7480 2.0319 2.0319 3.5778 3.5778 3.8844 3.8844 5.0922 5.0922 5.6958 5.6958 5.7633 5.7633 k = 0.0000 0.1969 0.5171 ( 5771 PWs) bands (ev): -25.2325 -25.2325 -25.2037 -25.2037 -25.1519 -25.1519 -25.1230 -25.1230 -10.0663 -10.0663 -10.0128 -10.0128 -9.8680 -9.8680 -9.7404 -9.7404 -9.3030 -9.3030 -9.2082 -9.2082 -9.0750 -9.0750 -9.0095 -9.0095 -8.9299 -8.9299 -8.8729 -8.8729 -8.7879 -8.7879 -8.7491 -8.7491 2.0919 2.0919 3.6376 3.6376 3.9134 3.9134 5.1543 5.1543 5.7102 5.7102 5.7643 5.7643 k = 0.0000 0.2100 0.5515 ( 5775 PWs) bands (ev): -25.2307 -25.2307 -25.2027 -25.2027 -25.1508 -25.1508 -25.1227 -25.1227 -10.0661 -10.0661 -10.0142 -10.0142 -9.8723 -9.8723 -9.7485 -9.7485 -9.3011 -9.3011 -9.2116 -9.2116 -9.0827 -9.0827 -9.0137 -9.0137 -8.9415 -8.9415 -8.8811 -8.8811 -8.7905 -8.7905 -8.7502 -8.7502 2.1552 2.1552 3.7000 3.7000 3.9435 3.9435 5.2191 5.2191 5.7119 5.7120 5.7649 5.7649 k = 0.0000 0.2231 0.5860 ( 5787 PWs) bands (ev): -25.2288 -25.2288 -25.2016 -25.2016 -25.1497 -25.1497 -25.1224 -25.1224 -10.0660 -10.0660 -10.0158 -10.0158 -9.8769 -9.8769 -9.7571 -9.7571 -9.2998 -9.2998 -9.2144 -9.2144 -9.0906 -9.0906 -9.0178 -9.0178 -8.9533 -8.9533 -8.8892 -8.8892 -8.7931 -8.7931 -8.7513 -8.7513 2.2217 2.2217 3.7646 3.7646 3.9748 3.9748 5.2860 5.2860 5.6997 5.6997 5.7648 5.7648 k = 0.0000 0.2362 0.6205 ( 5787 PWs) bands (ev): -25.2269 -25.2269 -25.2005 -25.2005 -25.1485 -25.1485 -25.1221 -25.1221 -10.0659 -10.0659 -10.0175 -10.0175 -9.8818 -9.8818 -9.7661 -9.7661 -9.2991 -9.2991 -9.2166 -9.2166 -9.0985 -9.0985 -9.0220 -9.0220 -8.9651 -8.9651 -8.8970 -8.8970 -8.7956 -8.7956 -8.7523 -8.7523 2.2913 2.2913 3.8311 3.8311 4.0072 4.0072 5.3542 5.3542 5.6764 5.6764 5.7638 5.7638 k = 0.0000 0.2494 0.6549 ( 5783 PWs) bands (ev): -25.2250 -25.2250 -25.1994 -25.1994 -25.1473 -25.1473 -25.1218 -25.1218 -10.0658 -10.0658 -10.0194 -10.0194 -9.8870 -9.8870 -9.7754 -9.7754 -9.2991 -9.2991 -9.2180 -9.2180 -9.1061 -9.1061 -9.0264 -9.0264 -8.9770 -8.9770 -8.9044 -8.9044 -8.7979 -8.7979 -8.7534 -8.7534 2.3638 2.3638 3.8992 3.8992 4.0406 4.0406 5.4223 5.4223 5.6462 5.6462 5.7618 5.7618 k = 0.0000 0.2625 0.6894 ( 5783 PWs) bands (ev): -25.2229 -25.2229 -25.1983 -25.1983 -25.1462 -25.1462 -25.1215 -25.1215 -10.0659 -10.0659 -10.0215 -10.0215 -9.8924 -9.8924 -9.7850 -9.7850 -9.2999 -9.2999 -9.2188 -9.2188 -9.1132 -9.1132 -9.0310 -9.0310 -8.9887 -8.9887 -8.9112 -8.9112 -8.8003 -8.8003 -8.7545 -8.7545 2.4392 2.4392 3.9683 3.9683 4.0750 4.0750 5.4866 5.4866 5.6125 5.6125 5.7587 5.7595 k = 0.0000 0.2756 0.7239 ( 5785 PWs) bands (ev): -25.2209 -25.2209 -25.1972 -25.1972 -25.1450 -25.1450 -25.1213 -25.1213 -10.0660 -10.0660 -10.0237 -10.0237 -9.8981 -9.8981 -9.7948 -9.7948 -9.3014 -9.3014 -9.2191 -9.2191 -9.1196 -9.1196 -9.0359 -9.0359 -9.0004 -9.0004 -8.9175 -8.9175 -8.8025 -8.8025 -8.7556 -8.7556 2.5172 2.5172 4.0377 4.0377 4.1108 4.1108 5.5343 5.5343 5.5780 5.5780 5.7178 5.7178 k = 0.0000 0.2887 0.7583 ( 5777 PWs) bands (ev): -25.2188 -25.2188 -25.1961 -25.1961 -25.1438 -25.1438 -25.1211 -25.1211 -10.0661 -10.0661 -10.0261 -10.0261 -9.9039 -9.9039 -9.8049 -9.8049 -9.3034 -9.3034 -9.2193 -9.2193 -9.1250 -9.1250 -9.0409 -9.0409 -9.0119 -9.0119 -8.9232 -8.9232 -8.8046 -8.8046 -8.7568 -8.7568 2.5978 2.5978 4.1053 4.1053 4.1495 4.1495 5.5315 5.5315 5.5480 5.5480 5.7230 5.7230 k = 0.0000 0.3018 0.7928 ( 5783 PWs) bands (ev): -25.2166 -25.2166 -25.1950 -25.1950 -25.1426 -25.1426 -25.1210 -25.1210 -10.0663 -10.0663 -10.0286 -10.0286 -9.9099 -9.9099 -9.8150 -9.8150 -9.3058 -9.3058 -9.2196 -9.2196 -9.1292 -9.1292 -9.0463 -9.0463 -9.0232 -9.0232 -8.9282 -8.9282 -8.8067 -8.8067 -8.7580 -8.7580 2.6808 2.6808 4.1628 4.1628 4.1989 4.1989 5.4958 5.4958 5.5069 5.5069 5.7413 5.7413 k = 0.0000 0.3150 0.8273 ( 5783 PWs) bands (ev): -25.2145 -25.2145 -25.1940 -25.1940 -25.1415 -25.1415 -25.1210 -25.1210 -10.0666 -10.0666 -10.0312 -10.0312 -9.9159 -9.9159 -9.8253 -9.8253 -9.3084 -9.3084 -9.2203 -9.2203 -9.1319 -9.1319 -9.0517 -9.0517 -9.0343 -9.0343 -8.9326 -8.9326 -8.8087 -8.8087 -8.7592 -8.7592 2.7662 2.7662 4.2052 4.2052 4.2635 4.2635 5.4480 5.4480 5.4649 5.4649 5.7327 5.7327 k = 0.0000 0.3281 0.8618 ( 5791 PWs) bands (ev): -25.2124 -25.2124 -25.1929 -25.1929 -25.1404 -25.1404 -25.1210 -25.1210 -10.0669 -10.0669 -10.0338 -10.0338 -9.9220 -9.9220 -9.8355 -9.8355 -9.3111 -9.3111 -9.2216 -9.2216 -9.1330 -9.1330 -9.0574 -9.0574 -9.0450 -9.0450 -8.9364 -8.9364 -8.8107 -8.8107 -8.7605 -8.7605 2.8538 2.8538 4.2421 4.2421 4.3329 4.3329 5.3936 5.3936 5.4279 5.4279 5.7222 5.7222 k = 0.0000 0.3412 0.8962 ( 5795 PWs) bands (ev): -25.2102 -25.2102 -25.1919 -25.1919 -25.1393 -25.1393 -25.1210 -25.1210 -10.0671 -10.0671 -10.0366 -10.0366 -9.9281 -9.9281 -9.8457 -9.8457 -9.3138 -9.3138 -9.2236 -9.2236 -9.1326 -9.1326 -9.0631 -9.0631 -9.0554 -9.0554 -8.9397 -8.9397 -8.8126 -8.8126 -8.7619 -8.7619 2.9435 2.9435 4.2771 4.2771 4.4030 4.4030 5.3400 5.3400 5.3924 5.3924 5.7091 5.7091 k = 0.0000 0.3543 0.9307 ( 5789 PWs) bands (ev): -25.2081 -25.2081 -25.1910 -25.1910 -25.1382 -25.1382 -25.1211 -25.1211 -10.0674 -10.0674 -10.0393 -10.0393 -9.9341 -9.9341 -9.8558 -9.8558 -9.3163 -9.3163 -9.2261 -9.2261 -9.1308 -9.1308 -9.0689 -9.0689 -9.0650 -9.0650 -8.9425 -8.9425 -8.8144 -8.8144 -8.7633 -8.7633 3.0353 3.0353 4.3106 4.3106 4.4726 4.4726 5.2891 5.2891 5.3582 5.3582 5.6790 5.6790 k = 0.0000 0.3675 0.9652 ( 5793 PWs) bands (ev): -25.2060 -25.2060 -25.1900 -25.1900 -25.1372 -25.1372 -25.1213 -25.1213 -10.0677 -10.0677 -10.0420 -10.0420 -9.9400 -9.9400 -9.8657 -9.8657 -9.3187 -9.3187 -9.2291 -9.2291 -9.1280 -9.1280 -9.0760 -9.0760 -9.0729 -9.0729 -8.9449 -8.9449 -8.8161 -8.8161 -8.7648 -8.7648 3.1289 3.1289 4.3423 4.3423 4.5411 4.5411 5.2421 5.2421 5.3254 5.3254 5.6130 5.6130 k = 0.0000 0.3806 0.9996 ( 5805 PWs) bands (ev): -25.2040 -25.2040 -25.1892 -25.1892 -25.1363 -25.1363 -25.1216 -25.1216 -10.0680 -10.0680 -10.0446 -10.0446 -9.9456 -9.9456 -9.8754 -9.8754 -9.3208 -9.3208 -9.2323 -9.2323 -9.1246 -9.1246 -9.0841 -9.0841 -9.0788 -9.0788 -8.9470 -8.9470 -8.8178 -8.8178 -8.7663 -8.7663 3.2243 3.2243 4.3715 4.3715 4.6080 4.6080 5.1999 5.1999 5.2940 5.2940 5.5457 5.5457 k = 0.0000 0.3937 1.0341 ( 5801 PWs) bands (ev): -25.2019 -25.2019 -25.1884 -25.1884 -25.1354 -25.1354 -25.1220 -25.1220 -10.0682 -10.0682 -10.0470 -10.0470 -9.9510 -9.9510 -9.8847 -9.8847 -9.3227 -9.3227 -9.2355 -9.2355 -9.1214 -9.1214 -9.0913 -9.0913 -9.0840 -9.0840 -8.9488 -8.9488 -8.8195 -8.8195 -8.7680 -8.7680 3.3214 3.3214 4.3975 4.3975 4.6731 4.6731 5.1635 5.1635 5.2642 5.2642 5.4793 5.4793 k = 0.0000 0.4068 1.0686 ( 5789 PWs) bands (ev): -25.1999 -25.1999 -25.1876 -25.1876 -25.1346 -25.1346 -25.1224 -25.1224 -10.0684 -10.0684 -10.0492 -10.0492 -9.9561 -9.9561 -9.8936 -9.8936 -9.3242 -9.3242 -9.2387 -9.2387 -9.1200 -9.1200 -9.0958 -9.0958 -9.0887 -9.0887 -8.9503 -8.9503 -8.8210 -8.8210 -8.7696 -8.7696 3.4201 3.4201 4.4194 4.4194 4.7360 4.7360 5.1339 5.1339 5.2360 5.2360 5.4141 5.4141 k = 0.0000 0.4200 1.1030 ( 5777 PWs) bands (ev): -25.1979 -25.1979 -25.1869 -25.1869 -25.1338 -25.1338 -25.1229 -25.1229 -10.0686 -10.0686 -10.0510 -10.0510 -9.9608 -9.9608 -9.9021 -9.9021 -9.3255 -9.3255 -9.2417 -9.2417 -9.1221 -9.1221 -9.0969 -9.0969 -9.0921 -9.0921 -8.9515 -8.9515 -8.8226 -8.8226 -8.7714 -8.7714 3.5202 3.5202 4.4361 4.4361 4.7965 4.7965 5.1121 5.1121 5.2094 5.2094 5.3502 5.3502 k = 0.0000 0.4331 1.1375 ( 5785 PWs) bands (ev): -25.1960 -25.1960 -25.1863 -25.1863 -25.1331 -25.1331 -25.1236 -25.1236 -10.0688 -10.0688 -10.0525 -10.0525 -9.9651 -9.9651 -9.9102 -9.9102 -9.3265 -9.3265 -9.2444 -9.2444 -9.1271 -9.1271 -9.0993 -9.0993 -9.0903 -9.0903 -8.9527 -8.9527 -8.8241 -8.8241 -8.7731 -8.7731 3.6217 3.6217 4.4468 4.4468 4.8542 4.8542 5.0991 5.0991 5.1843 5.1843 5.2878 5.2878 k = 0.0000 0.4462 1.1720 ( 5777 PWs) bands (ev): -25.1942 -25.1942 -25.1857 -25.1857 -25.1325 -25.1325 -25.1243 -25.1243 -10.0690 -10.0690 -10.0535 -10.0535 -9.9690 -9.9690 -9.9176 -9.9176 -9.3272 -9.3272 -9.2468 -9.2468 -9.1330 -9.1330 -9.1030 -9.1030 -9.0851 -9.0851 -8.9536 -8.9536 -8.8255 -8.8255 -8.7749 -8.7749 3.7244 3.7244 4.4510 4.4510 4.9090 4.9090 5.0952 5.0952 5.1606 5.1606 5.2268 5.2268 k = 0.0000 0.4593 1.2065 ( 5789 PWs) bands (ev): -25.1924 -25.1924 -25.1853 -25.1853 -25.1320 -25.1320 -25.1251 -25.1251 -10.0693 -10.0693 -10.0540 -10.0540 -9.9723 -9.9723 -9.9245 -9.9245 -9.3277 -9.3277 -9.2488 -9.2488 -9.1391 -9.1391 -9.1068 -9.1068 -9.0787 -9.0787 -8.9544 -8.9544 -8.8269 -8.8269 -8.7768 -8.7768 3.8282 3.8282 4.4486 4.4486 4.9604 4.9604 5.1001 5.1001 5.1379 5.1379 5.1679 5.1679 k = 0.0000 0.4725 1.2409 ( 5797 PWs) bands (ev): -25.1907 -25.1907 -25.1849 -25.1849 -25.1315 -25.1315 -25.1260 -25.1260 -10.0696 -10.0696 -10.0538 -10.0538 -9.9752 -9.9752 -9.9308 -9.9308 -9.3279 -9.3279 -9.2505 -9.2505 -9.1448 -9.1448 -9.1103 -9.1103 -9.0720 -9.0720 -8.9551 -8.9551 -8.8283 -8.8283 -8.7787 -8.7787 3.9329 3.9329 4.4401 4.4401 5.0079 5.0079 5.1012 5.1012 5.1139 5.1139 5.1252 5.1252 k = 0.0000 0.4856 1.2754 ( 5805 PWs) bands (ev): -25.1891 -25.1891 -25.1846 -25.1846 -25.1312 -25.1312 -25.1270 -25.1270 -10.0699 -10.0699 -10.0531 -10.0531 -9.9775 -9.9775 -9.9364 -9.9364 -9.3278 -9.3278 -9.2519 -9.2519 -9.1500 -9.1500 -9.1135 -9.1135 -9.0649 -9.0649 -8.9556 -8.9556 -8.8297 -8.8297 -8.7805 -8.7805 4.0383 4.0383 4.4265 4.4265 5.0422 5.0422 5.0592 5.0592 5.0938 5.0938 5.1400 5.1400 k = 0.0000 0.4987 1.3099 ( 5813 PWs) bands (ev): -25.1875 -25.1875 -25.1844 -25.1844 -25.1309 -25.1309 -25.1281 -25.1281 -10.0700 -10.0700 -10.0518 -10.0518 -9.9792 -9.9792 -9.9412 -9.9412 -9.3275 -9.3275 -9.2530 -9.2530 -9.1545 -9.1545 -9.1165 -9.1165 -9.0578 -9.0578 -8.9561 -8.9561 -8.8311 -8.8311 -8.7823 -8.7823 4.1442 4.1442 4.4088 4.4088 4.9933 4.9933 5.0717 5.0717 5.0915 5.0915 5.1673 5.1673 k = 0.0000 0.5118 1.3443 ( 5805 PWs) bands (ev): -25.1861 -25.1861 -25.1843 -25.1843 -25.1308 -25.1308 -25.1293 -25.1293 -10.0700 -10.0700 -10.0500 -10.0500 -9.9805 -9.9805 -9.9453 -9.9453 -9.3269 -9.3269 -9.2537 -9.2537 -9.1583 -9.1583 -9.1191 -9.1191 -9.0507 -9.0507 -8.9564 -8.9564 -8.8325 -8.8325 -8.7841 -8.7841 4.2502 4.2502 4.3881 4.3881 4.9399 4.9399 5.0486 5.0486 5.1207 5.1207 5.1997 5.1997 k = 0.0000 0.5250 1.3788 ( 5789 PWs) bands (ev): -25.1846 -25.1846 -25.1842 -25.1842 -25.1307 -25.1307 -25.1305 -25.1305 -10.0697 -10.0697 -10.0477 -10.0477 -9.9812 -9.9812 -9.9486 -9.9486 -9.3262 -9.3262 -9.2542 -9.2542 -9.1613 -9.1613 -9.1214 -9.1214 -9.0436 -9.0436 -8.9566 -8.9566 -8.8339 -8.8339 -8.7858 -8.7858 4.3557 4.3557 4.3652 4.3652 4.8882 4.8882 5.0236 5.0236 5.1344 5.1344 5.2360 5.2360 k = 0.0000 0.5381 1.4133 ( 5781 PWs) bands (ev): -25.1842 -25.1842 -25.1833 -25.1833 -25.1320 -25.1320 -25.1307 -25.1307 -10.0692 -10.0692 -10.0449 -10.0449 -9.9814 -9.9814 -9.9510 -9.9510 -9.3252 -9.3252 -9.2545 -9.2545 -9.1635 -9.1635 -9.1233 -9.1233 -9.0366 -9.0366 -8.9567 -8.9567 -8.8353 -8.8353 -8.7874 -8.7874 4.3409 4.3409 4.4595 4.4595 4.8392 4.8392 4.9958 4.9958 5.1251 5.1251 5.2758 5.2758 k = 0.0000 0.5512 1.4477 ( 5771 PWs) bands (ev): -25.1844 -25.1844 -25.1821 -25.1821 -25.1334 -25.1334 -25.1308 -25.1308 -10.0683 -10.0683 -10.0416 -10.0416 -9.9813 -9.9813 -9.9526 -9.9526 -9.3240 -9.3240 -9.2545 -9.2545 -9.1647 -9.1647 -9.1250 -9.1250 -9.0299 -9.0299 -8.9567 -8.9567 -8.8367 -8.8367 -8.7889 -8.7889 4.3156 4.3156 4.5580 4.5580 4.7965 4.7965 4.9645 4.9645 5.0947 5.0947 5.3181 5.3181 k = 0.0000 0.5643 1.4822 ( 5763 PWs) bands (ev): -25.1846 -25.1846 -25.1809 -25.1809 -25.1350 -25.1350 -25.1310 -25.1310 -10.0672 -10.0672 -10.0380 -10.0380 -9.9808 -9.9808 -9.9533 -9.9533 -9.3226 -9.3226 -9.2544 -9.2544 -9.1649 -9.1649 -9.1263 -9.1263 -9.0234 -9.0234 -8.9565 -8.9565 -8.8381 -8.8381 -8.7902 -8.7902 4.2899 4.2899 4.6334 4.6334 4.7773 4.7773 4.9291 4.9291 5.0508 5.0508 5.3613 5.3613 k = 0.0000 0.5774 1.5167 ( 5755 PWs) bands (ev): -25.1848 -25.1848 -25.1799 -25.1799 -25.1366 -25.1366 -25.1313 -25.1313 -10.0657 -10.0657 -10.0340 -10.0340 -9.9800 -9.9800 -9.9531 -9.9531 -9.3210 -9.3210 -9.2541 -9.2541 -9.1641 -9.1641 -9.1272 -9.1272 -9.0172 -9.0172 -8.9560 -8.9560 -8.8395 -8.8395 -8.7914 -8.7914 4.2639 4.2639 4.6411 4.6411 4.8257 4.8257 4.8894 4.8894 4.9989 4.9989 5.4025 5.4025 k = 0.0000 0.5906 1.5512 ( 5751 PWs) bands (ev): -25.1852 -25.1852 -25.1789 -25.1789 -25.1384 -25.1384 -25.1317 -25.1317 -10.0639 -10.0639 -10.0296 -10.0296 -9.9790 -9.9790 -9.9519 -9.9519 -9.3193 -9.3193 -9.2536 -9.2536 -9.1624 -9.1624 -9.1278 -9.1278 -9.0114 -9.0114 -8.9553 -8.9553 -8.8409 -8.8409 -8.7924 -8.7924 4.2378 4.2378 4.6071 4.6071 4.8453 4.8453 4.9135 4.9135 4.9440 4.9440 5.4214 5.4214 k = 0.0000 0.6037 1.5856 ( 5755 PWs) bands (ev): -25.1857 -25.1857 -25.1780 -25.1780 -25.1402 -25.1402 -25.1322 -25.1322 -10.0618 -10.0618 -10.0249 -10.0249 -9.9778 -9.9778 -9.9499 -9.9499 -9.3173 -9.3173 -9.2529 -9.2529 -9.1597 -9.1597 -9.1281 -9.1281 -9.0061 -9.0061 -8.9544 -8.9544 -8.8423 -8.8423 -8.7932 -8.7932 4.2117 4.2117 4.5643 4.5643 4.7969 4.7969 4.8800 4.8800 5.0144 5.0144 5.4326 5.4326 k = 0.0000 0.6037 1.5856 ( 5755 PWs) bands (ev): -25.1857 -25.1857 -25.1780 -25.1780 -25.1402 -25.1402 -25.1322 -25.1322 -10.0618 -10.0618 -10.0249 -10.0249 -9.9778 -9.9778 -9.9499 -9.9499 -9.3173 -9.3173 -9.2529 -9.2529 -9.1597 -9.1597 -9.1281 -9.1281 -9.0061 -9.0061 -8.9544 -8.9544 -8.8423 -8.8423 -8.7932 -8.7932 4.2117 4.2117 4.5643 4.5643 4.7969 4.7969 4.8800 4.8800 5.0144 5.0144 5.4326 5.4326 k = 0.0179 0.5721 1.5856 ( 5757 PWs) bands (ev): -25.1859 -25.1859 -25.1779 -25.1779 -25.1400 -25.1400 -25.1317 -25.1317 -10.0628 -10.0628 -10.0259 -10.0259 -9.9784 -9.9784 -9.9505 -9.9505 -9.3179 -9.3179 -9.2530 -9.2530 -9.1611 -9.1611 -9.1278 -9.1278 -9.0081 -9.0081 -8.9540 -8.9540 -8.8424 -8.8424 -8.7927 -8.7927 4.2192 4.2192 4.5697 4.5697 4.8125 4.8125 4.9039 4.9039 4.9874 4.9874 5.4270 5.4270 k = 0.0357 0.5406 1.5856 ( 5759 PWs) bands (ev): -25.1867 -25.1867 -25.1770 -25.1770 -25.1405 -25.1405 -25.1307 -25.1307 -10.0643 -10.0643 -10.0261 -10.0261 -9.9794 -9.9794 -9.9509 -9.9509 -9.3183 -9.3183 -9.2529 -9.2529 -9.1632 -9.1632 -9.1271 -9.1271 -9.0110 -9.0110 -8.9523 -8.9523 -8.8435 -8.8435 -8.7916 -8.7916 4.2262 4.2262 4.5618 4.5618 4.8284 4.8284 4.9216 4.9216 4.9798 4.9798 5.4185 5.4185 k = 0.0536 0.5090 1.5856 ( 5759 PWs) bands (ev): -25.1877 -25.1877 -25.1757 -25.1757 -25.1415 -25.1415 -25.1294 -25.1294 -10.0663 -10.0663 -10.0254 -10.0254 -9.9808 -9.9808 -9.9512 -9.9512 -9.3186 -9.3186 -9.2524 -9.2524 -9.1659 -9.1659 -9.1261 -9.1261 -9.0143 -9.0143 -8.9495 -8.9495 -8.8455 -8.8455 -8.7900 -8.7900 4.2331 4.2331 4.5454 4.5454 4.8438 4.8438 4.9055 4.9055 5.0143 5.0143 5.4079 5.4079 k = 0.0714 0.4775 1.5856 ( 5762 PWs) bands (ev): -25.1889 -25.1889 -25.1742 -25.1742 -25.1427 -25.1427 -25.1281 -25.1281 -10.0685 -10.0685 -10.0243 -10.0243 -9.9825 -9.9825 -9.9513 -9.9513 -9.3187 -9.3187 -9.2518 -9.2518 -9.1690 -9.1690 -9.1250 -9.1250 -9.0180 -9.0180 -8.9459 -8.9459 -8.8483 -8.8483 -8.7881 -8.7881 4.2402 4.2402 4.5244 4.5244 4.8581 4.8581 4.8781 4.8781 5.0645 5.0645 5.3965 5.3965 k = 0.0893 0.4460 1.5856 ( 5765 PWs) bands (ev): -25.1900 -25.1900 -25.1726 -25.1726 -25.1441 -25.1441 -25.1267 -25.1267 -10.0708 -10.0708 -10.0226 -10.0226 -9.9844 -9.9844 -9.9514 -9.9514 -9.3188 -9.3188 -9.2509 -9.2509 -9.1725 -9.1725 -9.1239 -9.1239 -9.0218 -9.0218 -8.9416 -8.9416 -8.8517 -8.8517 -8.7861 -8.7861 4.2480 4.2480 4.5016 4.5016 4.8484 4.8484 4.8712 4.8712 5.1182 5.1182 5.3853 5.3853 k = 0.1071 0.4144 1.5856 ( 5773 PWs) bands (ev): -25.1910 -25.1910 -25.1709 -25.1709 -25.1456 -25.1456 -25.1254 -25.1254 -10.0732 -10.0732 -10.0207 -10.0207 -9.9865 -9.9865 -9.9514 -9.9514 -9.3187 -9.3187 -9.2497 -9.2497 -9.1761 -9.1761 -9.1228 -9.1228 -9.0254 -9.0254 -8.9368 -8.9368 -8.8555 -8.8555 -8.7840 -8.7840 4.2565 4.2565 4.4788 4.4788 4.8187 4.8187 4.8821 4.8821 5.1714 5.1714 5.3748 5.3748 k = 0.1250 0.3829 1.5856 ( 5779 PWs) bands (ev): -25.1920 -25.1920 -25.1691 -25.1691 -25.1472 -25.1472 -25.1242 -25.1242 -10.0754 -10.0754 -10.0185 -10.0185 -9.9888 -9.9888 -9.9515 -9.9515 -9.3186 -9.3186 -9.2484 -9.2484 -9.1799 -9.1799 -9.1218 -9.1218 -9.0289 -9.0289 -8.9317 -8.9317 -8.8598 -8.8598 -8.7820 -8.7820 4.2661 4.2661 4.4569 4.4569 4.7892 4.7892 4.8910 4.8910 5.2219 5.2219 5.3651 5.3651 k = 0.1429 0.3513 1.5856 ( 5770 PWs) bands (ev): -25.1929 -25.1929 -25.1673 -25.1673 -25.1488 -25.1488 -25.1231 -25.1231 -10.0774 -10.0774 -10.0161 -10.0161 -9.9913 -9.9913 -9.9515 -9.9515 -9.3184 -9.3184 -9.2469 -9.2469 -9.1837 -9.1837 -9.1209 -9.1209 -9.0321 -9.0321 -8.9264 -8.9264 -8.8643 -8.8643 -8.7802 -8.7802 4.2767 4.2767 4.4367 4.4367 4.7603 4.7603 4.8976 4.8976 5.2675 5.2675 5.3565 5.3565 k = 0.1607 0.3198 1.5856 ( 5776 PWs) bands (ev): -25.1936 -25.1936 -25.1655 -25.1655 -25.1505 -25.1505 -25.1222 -25.1222 -10.0792 -10.0792 -10.0137 -10.0137 -9.9938 -9.9938 -9.9516 -9.9516 -9.3182 -9.3182 -9.2451 -9.2451 -9.1874 -9.1874 -9.1201 -9.1201 -9.0350 -9.0350 -8.9208 -8.9208 -8.8691 -8.8691 -8.7786 -8.7786 4.2885 4.2885 4.4188 4.4188 4.7323 4.7323 4.9019 4.9019 5.3053 5.3053 5.3497 5.3497 k = 0.1786 0.2882 1.5856 ( 5779 PWs) bands (ev): -25.1943 -25.1943 -25.1636 -25.1636 -25.1522 -25.1522 -25.1214 -25.1214 -10.0807 -10.0807 -10.0112 -10.0112 -9.9965 -9.9965 -9.9518 -9.9518 -9.3181 -9.3181 -9.2433 -9.2433 -9.1910 -9.1910 -9.1194 -9.1194 -9.0376 -9.0376 -8.9152 -8.9152 -8.8739 -8.8739 -8.7772 -8.7772 4.3014 4.3014 4.4036 4.4036 4.7055 4.7055 4.9041 4.9041 5.3252 5.3252 5.3538 5.3538 k = 0.1964 0.2567 1.5856 ( 5779 PWs) bands (ev): -25.1948 -25.1948 -25.1618 -25.1618 -25.1539 -25.1539 -25.1207 -25.1207 -10.0819 -10.0819 -10.0087 -10.0087 -9.9991 -9.9991 -9.9520 -9.9520 -9.3181 -9.3181 -9.2413 -9.2413 -9.1944 -9.1944 -9.1187 -9.1187 -9.0399 -9.0399 -8.9097 -8.9097 -8.8788 -8.8788 -8.7761 -8.7761 4.3156 4.3156 4.3912 4.3912 4.6800 4.6800 4.9042 4.9042 5.3219 5.3219 5.3736 5.3736 k = 0.2143 0.2251 1.5856 ( 5781 PWs) bands (ev): -25.1952 -25.1952 -25.1599 -25.1599 -25.1556 -25.1556 -25.1202 -25.1202 -10.0829 -10.0829 -10.0066 -10.0066 -10.0016 -10.0016 -9.9522 -9.9522 -9.3181 -9.3181 -9.2393 -9.2393 -9.1976 -9.1976 -9.1181 -9.1181 -9.0417 -9.0417 -8.9045 -8.9045 -8.8834 -8.8834 -8.7753 -8.7753 4.3308 4.3308 4.3820 4.3820 4.6560 4.6560 4.9024 4.9024 5.3129 5.3129 5.3919 5.3919 k = 0.2321 0.1936 1.5856 ( 5785 PWs) bands (ev): -25.1954 -25.1954 -25.1580 -25.1580 -25.1574 -25.1574 -25.1199 -25.1199 -10.0835 -10.0835 -10.0065 -10.0065 -10.0020 -10.0020 -9.9526 -9.9526 -9.3183 -9.3183 -9.2375 -9.2375 -9.2003 -9.2003 -9.1176 -9.1176 -9.0433 -9.0433 -8.9008 -8.9008 -8.8865 -8.8865 -8.7749 -8.7749 4.3469 4.3469 4.3761 4.3761 4.6336 4.6336 4.8991 4.8991 5.3022 5.3022 5.4057 5.4057 k = 0.2500 0.1620 1.5856 ( 5791 PWs) bands (ev): -25.1955 -25.1955 -25.1592 -25.1592 -25.1562 -25.1562 -25.1197 -25.1197 -10.0838 -10.0838 -10.0089 -10.0089 -10.0000 -10.0000 -9.9529 -9.9529 -9.3185 -9.3185 -9.2359 -9.2359 -9.2023 -9.2023 -9.1171 -9.1171 -9.0444 -9.0444 -8.9010 -8.9010 -8.8859 -8.8859 -8.7748 -8.7748 4.3631 4.3631 4.3743 4.3743 4.6130 4.6130 4.8943 4.8943 5.2902 5.2902 5.4151 5.4151 k = 0.2679 0.1305 1.5856 ( 5793 PWs) bands (ev): -25.1955 -25.1955 -25.1610 -25.1610 -25.1543 -25.1543 -25.1197 -25.1197 -10.0838 -10.0838 -10.0118 -10.0118 -9.9976 -9.9976 -9.9534 -9.9534 -9.3189 -9.3189 -9.2349 -9.2349 -9.2035 -9.2035 -9.1168 -9.1168 -9.0450 -9.0450 -8.9048 -8.9048 -8.8817 -8.8817 -8.7750 -8.7750 4.3720 4.3720 4.3840 4.3840 4.5943 4.5943 4.8883 4.8883 5.2771 5.2771 5.4205 5.4205 k = 0.2857 0.0989 1.5856 ( 5785 PWs) bands (ev): -25.1953 -25.1953 -25.1627 -25.1627 -25.1524 -25.1524 -25.1198 -25.1198 -10.0834 -10.0834 -10.0148 -10.0148 -9.9951 -9.9951 -9.9539 -9.9539 -9.3194 -9.3194 -9.2346 -9.2346 -9.2035 -9.2035 -9.1167 -9.1167 -9.0452 -9.0452 -8.9098 -8.9098 -8.8765 -8.8765 -8.7756 -8.7756 4.3767 4.3767 4.4017 4.4017 4.5776 4.5776 4.8812 4.8812 5.2628 5.2628 5.4221 5.4221 k = 0.3036 0.0674 1.5856 ( 5781 PWs) bands (ev): -25.1950 -25.1950 -25.1645 -25.1645 -25.1506 -25.1506 -25.1201 -25.1201 -10.0827 -10.0827 -10.0179 -10.0179 -9.9927 -9.9927 -9.9544 -9.9544 -9.3199 -9.3199 -9.2351 -9.2351 -9.2023 -9.2023 -9.1168 -9.1168 -9.0447 -9.0447 -8.9151 -8.9151 -8.8709 -8.8709 -8.7766 -8.7766 4.3842 4.3842 4.4202 4.4202 4.5630 4.5630 4.8732 4.8732 5.2476 5.2476 5.4200 5.4200 k = 0.3214 0.0358 1.5856 ( 5793 PWs) bands (ev): -25.1945 -25.1945 -25.1663 -25.1663 -25.1488 -25.1488 -25.1205 -25.1205 -10.0817 -10.0817 -10.0210 -10.0210 -9.9903 -9.9903 -9.9551 -9.9551 -9.3204 -9.3204 -9.2364 -9.2364 -9.2001 -9.2001 -9.1174 -9.1174 -9.0437 -9.0437 -8.9206 -8.9206 -8.8653 -8.8653 -8.7779 -8.7779 4.3949 4.3949 4.4388 4.4388 4.5505 4.5505 4.8642 4.8642 5.2318 5.2318 5.4143 5.4143 k = 0.3393 0.0043 1.5856 ( 5781 PWs) bands (ev): -25.1939 -25.1939 -25.1681 -25.1681 -25.1470 -25.1470 -25.1211 -25.1211 -10.0803 -10.0803 -10.0241 -10.0241 -9.9879 -9.9879 -9.9558 -9.9558 -9.3209 -9.3209 -9.2381 -9.2381 -9.1970 -9.1970 -9.1184 -9.1184 -9.0420 -9.0420 -8.9261 -8.9261 -8.8597 -8.8597 -8.7796 -8.7796 4.4086 4.4086 4.4569 4.4569 4.5404 4.5404 4.8540 4.8540 5.2159 5.2159 5.4050 5.4050 k = 0.3571-0.0273 1.5856 ( 5779 PWs) bands (ev): -25.1932 -25.1932 -25.1698 -25.1698 -25.1452 -25.1452 -25.1218 -25.1218 -10.0787 -10.0787 -10.0272 -10.0272 -9.9855 -9.9855 -9.9566 -9.9566 -9.3214 -9.3214 -9.2402 -9.2402 -9.1933 -9.1933 -9.1199 -9.1199 -9.0395 -9.0395 -8.9316 -8.9316 -8.8543 -8.8543 -8.7816 -8.7816 4.4252 4.4252 4.4740 4.4740 4.5328 4.5328 4.8426 4.8426 5.2006 5.2006 5.3922 5.3922 k = 0.3750-0.0588 1.5856 ( 5769 PWs) bands (ev): -25.1923 -25.1923 -25.1715 -25.1715 -25.1435 -25.1435 -25.1227 -25.1227 -10.0767 -10.0767 -10.0303 -10.0303 -9.9832 -9.9832 -9.9575 -9.9575 -9.3218 -9.3218 -9.2423 -9.2423 -9.1893 -9.1893 -9.1219 -9.1219 -9.0365 -9.0365 -8.9370 -8.9370 -8.8489 -8.8489 -8.7840 -8.7840 4.4439 4.4439 4.4897 4.4897 4.5285 4.5285 4.8293 4.8293 5.1871 5.1871 5.3762 5.3762 k = 0.3929-0.0904 1.5856 ( 5769 PWs) bands (ev): -25.1913 -25.1913 -25.1732 -25.1732 -25.1418 -25.1418 -25.1238 -25.1238 -10.0744 -10.0744 -10.0333 -10.0333 -9.9809 -9.9809 -9.9586 -9.9586 -9.3221 -9.3221 -9.2444 -9.2444 -9.1850 -9.1850 -9.1243 -9.1243 -9.0328 -9.0328 -8.9422 -8.9422 -8.8437 -8.8437 -8.7868 -8.7868 4.4635 4.4635 4.5033 4.5033 4.5288 4.5288 4.8138 4.8138 5.1763 5.1763 5.3572 5.3572 k = 0.4107-0.1219 1.5856 ( 5773 PWs) bands (ev): -25.1902 -25.1902 -25.1749 -25.1749 -25.1402 -25.1402 -25.1250 -25.1250 -10.0719 -10.0719 -10.0362 -10.0362 -9.9787 -9.9787 -9.9597 -9.9597 -9.3223 -9.3223 -9.2464 -9.2464 -9.1807 -9.1807 -9.1271 -9.1271 -9.0287 -9.0287 -8.9472 -8.9472 -8.8387 -8.8387 -8.7898 -8.7898 4.4806 4.4806 4.5148 4.5148 4.5362 4.5362 4.7955 4.7955 5.1695 5.1695 5.3357 5.3357 k = 0.4286-0.1535 1.5856 ( 5776 PWs) bands (ev): -25.1890 -25.1890 -25.1766 -25.1766 -25.1386 -25.1386 -25.1263 -25.1263 -10.0692 -10.0692 -10.0390 -10.0390 -9.9765 -9.9765 -9.9610 -9.9610 -9.3223 -9.3223 -9.2482 -9.2482 -9.1765 -9.1765 -9.1301 -9.1301 -9.0242 -9.0242 -8.9520 -8.9520 -8.8340 -8.8340 -8.7931 -8.7931 4.4917 4.4917 4.5246 4.5246 4.5531 4.5531 4.7743 4.7743 5.1675 5.1675 5.3122 5.3122 k = 0.4464-0.1850 1.5856 ( 5772 PWs) bands (ev): -25.1876 -25.1876 -25.1782 -25.1782 -25.1371 -25.1371 -25.1278 -25.1278 -10.0663 -10.0663 -10.0416 -10.0416 -9.9744 -9.9744 -9.9624 -9.9624 -9.3221 -9.3221 -9.2498 -9.2498 -9.1725 -9.1725 -9.1332 -9.1332 -9.0196 -9.0196 -8.9562 -8.9562 -8.8295 -8.8295 -8.7967 -8.7967 4.4982 4.4982 4.5311 4.5311 4.5787 4.5787 4.7506 4.7506 5.1709 5.1709 5.2873 5.2873 k = 0.4643-0.2166 1.5856 ( 5776 PWs) bands (ev): -25.1862 -25.1862 -25.1798 -25.1798 -25.1356 -25.1356 -25.1294 -25.1294 -10.0634 -10.0634 -10.0439 -10.0439 -9.9722 -9.9722 -9.9640 -9.9640 -9.3217 -9.3217 -9.2511 -9.2511 -9.1691 -9.1691 -9.1360 -9.1360 -9.0151 -9.0151 -8.9598 -8.9598 -8.8255 -8.8255 -8.8003 -8.8003 4.5033 4.5033 4.5326 4.5326 4.6098 4.6098 4.7255 4.7255 5.1796 5.1796 5.2616 5.2616 k = 0.4821-0.2481 1.5856 ( 5778 PWs) bands (ev): -25.1846 -25.1846 -25.1813 -25.1813 -25.1341 -25.1341 -25.1311 -25.1311 -10.0608 -10.0608 -10.0456 -10.0456 -9.9701 -9.9701 -9.9657 -9.9657 -9.3212 -9.3212 -9.2521 -9.2521 -9.1666 -9.1666 -9.1382 -9.1382 -9.0111 -9.0111 -8.9624 -8.9624 -8.8223 -8.8223 -8.8037 -8.8037 4.5088 4.5088 4.5279 4.5279 4.6440 4.6440 4.7011 4.7011 5.1933 5.1933 5.2360 5.2360 k = 0.5000-0.2797 1.5856 ( 5778 PWs) bands (ev): -25.1830 -25.1830 -25.1828 -25.1828 -25.1329 -25.1329 -25.1327 -25.1327 -10.0590 -10.0590 -10.0462 -10.0462 -9.9685 -9.9685 -9.9671 -9.9671 -9.3204 -9.3204 -9.2529 -9.2529 -9.1656 -9.1656 -9.1392 -9.1392 -9.0081 -9.0081 -8.9635 -8.9635 -8.8207 -8.8207 -8.8059 -8.8059 4.5143 4.5143 4.5158 4.5158 4.6778 4.6778 4.6824 4.6824 5.2101 5.2101 5.2121 5.2121 k = 0.5000-0.2797 1.5856 ( 5778 PWs) bands (ev): -25.1830 -25.1830 -25.1828 -25.1828 -25.1329 -25.1329 -25.1327 -25.1327 -10.0590 -10.0590 -10.0462 -10.0462 -9.9685 -9.9685 -9.9671 -9.9671 -9.3204 -9.3204 -9.2529 -9.2529 -9.1656 -9.1656 -9.1392 -9.1392 -9.0081 -9.0081 -8.9635 -8.9635 -8.8207 -8.8207 -8.8059 -8.8059 4.5143 4.5143 4.5158 4.5158 4.6778 4.6778 4.6824 4.6824 5.2101 5.2101 5.2121 5.2121 k = 0.5000-0.2930 1.5507 ( 5778 PWs) bands (ev): -25.1826 -25.1826 -25.1825 -25.1825 -25.1338 -25.1338 -25.1337 -25.1337 -10.0553 -10.0553 -10.0449 -10.0449 -9.9677 -9.9677 -9.9665 -9.9665 -9.3175 -9.3175 -9.2547 -9.2547 -9.1646 -9.1646 -9.1399 -9.1399 -9.0002 -9.0002 -8.9643 -8.9643 -8.8195 -8.8195 -8.8101 -8.8101 4.4825 4.4825 4.4862 4.4862 4.7188 4.7188 4.7200 4.7200 5.2038 5.2038 5.2061 5.2061 k = 0.5000-0.3062 1.5158 ( 5766 PWs) bands (ev): -25.1824 -25.1824 -25.1822 -25.1822 -25.1348 -25.1348 -25.1346 -25.1346 -10.0513 -10.0513 -10.0434 -10.0434 -9.9676 -9.9676 -9.9639 -9.9639 -9.3142 -9.3142 -9.2564 -9.2564 -9.1627 -9.1627 -9.1402 -9.1402 -8.9924 -8.9924 -8.9650 -8.9650 -8.8181 -8.8181 -8.8143 -8.8143 4.4379 4.4379 4.4425 4.4425 4.7639 4.7639 4.7651 4.7651 5.1993 5.1993 5.2025 5.2025 k = 0.5000-0.3195 1.4809 ( 5768 PWs) bands (ev): -25.1823 -25.1823 -25.1821 -25.1821 -25.1359 -25.1359 -25.1357 -25.1357 -10.0469 -10.0469 -10.0417 -10.0417 -9.9670 -9.9670 -9.9606 -9.9606 -9.3105 -9.3105 -9.2579 -9.2579 -9.1599 -9.1599 -9.1403 -9.1403 -8.9848 -8.9848 -8.9656 -8.9656 -8.8186 -8.8186 -8.8165 -8.8165 4.3881 4.3881 4.3930 4.3930 4.8046 4.8046 4.8080 4.8080 5.1955 5.1955 5.2005 5.2005 k = 0.5000-0.3328 1.4460 ( 5766 PWs) bands (ev): -25.1823 -25.1823 -25.1821 -25.1821 -25.1370 -25.1370 -25.1368 -25.1368 -10.0423 -10.0423 -10.0397 -10.0397 -9.9659 -9.9659 -9.9567 -9.9567 -9.3064 -9.3064 -9.2592 -9.2592 -9.1563 -9.1563 -9.1399 -9.1399 -8.9773 -8.9773 -8.9661 -8.9661 -8.8228 -8.8228 -8.8149 -8.8149 4.3354 4.3354 4.3403 4.3403 4.8386 4.8386 4.8443 4.8443 5.1911 5.1911 5.1985 5.1985 k = 0.5000-0.3461 1.4110 ( 5780 PWs) bands (ev): -25.1824 -25.1824 -25.1822 -25.1822 -25.1381 -25.1381 -25.1380 -25.1380 -10.0376 -10.0376 -10.0373 -10.0373 -9.9644 -9.9644 -9.9523 -9.9523 -9.3020 -9.3020 -9.2602 -9.2602 -9.1519 -9.1519 -9.1392 -9.1392 -8.9700 -8.9700 -8.9665 -8.9665 -8.8270 -8.8270 -8.8131 -8.8131 4.2807 4.2807 4.2855 4.2855 4.8644 4.8644 4.8724 4.8724 5.1843 5.1843 5.1946 5.1946 k = 0.5000-0.3594 1.3761 ( 5786 PWs) bands (ev): -25.1826 -25.1826 -25.1824 -25.1824 -25.1394 -25.1394 -25.1392 -25.1392 -10.0353 -10.0353 -10.0322 -10.0322 -9.9624 -9.9624 -9.9474 -9.9474 -9.2972 -9.2972 -9.2607 -9.2607 -9.1468 -9.1468 -9.1382 -9.1382 -8.9666 -8.9666 -8.9629 -8.9629 -8.8311 -8.8311 -8.8113 -8.8113 4.2245 4.2245 4.2290 4.2290 4.8816 4.8816 4.8918 4.8918 5.1737 5.1737 5.1869 5.1869 k = 0.5000-0.3727 1.3412 ( 5786 PWs) bands (ev): -25.1829 -25.1829 -25.1827 -25.1827 -25.1406 -25.1406 -25.1405 -25.1405 -10.0328 -10.0328 -10.0270 -10.0270 -9.9600 -9.9600 -9.9421 -9.9421 -9.2921 -9.2921 -9.2607 -9.2607 -9.1412 -9.1412 -9.1368 -9.1368 -8.9666 -8.9666 -8.9561 -8.9561 -8.8349 -8.8349 -8.8093 -8.8093 4.1671 4.1671 4.1712 4.1712 4.8903 4.8903 4.9024 4.9024 5.1587 5.1587 5.1743 5.1743 k = 0.5000-0.3860 1.3063 ( 5782 PWs) bands (ev): -25.1833 -25.1833 -25.1831 -25.1831 -25.1419 -25.1419 -25.1418 -25.1418 -10.0302 -10.0302 -10.0216 -10.0216 -9.9573 -9.9573 -9.9365 -9.9365 -9.2866 -9.2866 -9.2602 -9.2602 -9.1351 -9.1351 -9.1349 -9.1349 -8.9663 -8.9663 -8.9497 -8.9497 -8.8384 -8.8384 -8.8072 -8.8072 4.1086 4.1086 4.1124 4.1124 4.8909 4.8909 4.9042 4.9042 5.1400 5.1400 5.1571 5.1571 k = 0.5000-0.3993 1.2714 ( 5778 PWs) bands (ev): -25.1838 -25.1838 -25.1836 -25.1836 -25.1432 -25.1432 -25.1431 -25.1431 -10.0275 -10.0275 -10.0162 -10.0162 -9.9543 -9.9543 -9.9307 -9.9307 -9.2807 -9.2807 -9.2590 -9.2590 -9.1330 -9.1330 -9.1282 -9.1282 -8.9658 -8.9658 -8.9436 -8.9436 -8.8416 -8.8416 -8.8051 -8.8051 4.0492 4.0492 4.0527 4.0527 4.8837 4.8837 4.8975 4.8975 5.1185 5.1185 5.1361 5.1361 k = 0.5000-0.4126 1.2365 ( 5768 PWs) bands (ev): -25.1843 -25.1843 -25.1842 -25.1842 -25.1446 -25.1446 -25.1444 -25.1444 -10.0248 -10.0248 -10.0107 -10.0107 -9.9510 -9.9510 -9.9246 -9.9246 -9.2745 -9.2745 -9.2573 -9.2573 -9.1306 -9.1306 -9.1210 -9.1210 -8.9650 -8.9650 -8.9380 -8.9380 -8.8443 -8.8443 -8.8028 -8.8028 3.9892 3.9892 3.9923 3.9923 4.8692 4.8692 4.8827 4.8827 5.0953 5.0953 5.1123 5.1123 k = 0.5000-0.4259 1.2015 ( 5774 PWs) bands (ev): -25.1850 -25.1850 -25.1848 -25.1848 -25.1460 -25.1460 -25.1458 -25.1458 -10.0220 -10.0220 -10.0054 -10.0054 -9.9475 -9.9475 -9.9185 -9.9185 -9.2679 -9.2679 -9.2549 -9.2549 -9.1279 -9.1279 -9.1136 -9.1136 -8.9639 -8.9639 -8.9330 -8.9330 -8.8463 -8.8463 -8.8004 -8.8004 3.9286 3.9286 3.9314 3.9314 4.8481 4.8481 4.8606 4.8606 5.0708 5.0708 5.0866 5.0866 k = 0.5000-0.4392 1.1666 ( 5770 PWs) bands (ev): -25.1857 -25.1857 -25.1855 -25.1855 -25.1473 -25.1473 -25.1472 -25.1472 -10.0192 -10.0192 -10.0001 -10.0001 -9.9439 -9.9439 -9.9123 -9.9123 -9.2611 -9.2611 -9.2519 -9.2519 -9.1249 -9.1249 -9.1058 -9.1058 -8.9624 -8.9624 -8.9286 -8.9286 -8.8475 -8.8475 -8.7980 -8.7980 3.8677 3.8677 3.8702 3.8702 4.8214 4.8214 4.8322 4.8322 5.0450 5.0450 5.0589 5.0589 k = 0.5000-0.4525 1.1317 ( 5794 PWs) bands (ev): -25.1865 -25.1865 -25.1863 -25.1863 -25.1488 -25.1488 -25.1486 -25.1486 -10.0164 -10.0164 -9.9952 -9.9952 -9.9401 -9.9401 -9.9061 -9.9061 -9.2541 -9.2541 -9.2483 -9.2483 -9.1217 -9.1217 -9.0980 -9.0980 -8.9606 -8.9606 -8.9250 -8.9250 -8.8478 -8.8478 -8.7954 -8.7954 3.8066 3.8066 3.8089 3.8089 4.7900 4.7900 4.7991 4.7991 5.0172 5.0172 5.0293 5.0293 k = 0.5000-0.4658 1.0968 ( 5790 PWs) bands (ev): -25.1873 -25.1873 -25.1872 -25.1872 -25.1501 -25.1501 -25.1500 -25.1500 -10.0137 -10.0137 -9.9905 -9.9905 -9.9361 -9.9361 -9.9000 -9.9000 -9.2468 -9.2468 -9.2439 -9.2439 -9.1182 -9.1182 -9.0900 -9.0900 -8.9584 -8.9584 -8.9222 -8.9222 -8.8471 -8.8471 -8.7927 -8.7927 3.7456 3.7456 3.7475 3.7475 4.7551 4.7551 4.7626 4.7626 4.9869 4.9869 4.9971 4.9971 k = 0.5000-0.4791 1.0619 ( 5782 PWs) bands (ev): -25.1882 -25.1882 -25.1880 -25.1880 -25.1515 -25.1515 -25.1514 -25.1514 -10.0110 -10.0110 -9.9861 -9.9861 -9.9321 -9.9321 -9.8941 -9.8941 -9.2393 -9.2393 -9.2390 -9.2390 -9.1144 -9.1144 -9.0821 -9.0821 -8.9558 -8.9558 -8.9201 -8.9201 -8.8453 -8.8453 -8.7899 -8.7899 3.6848 3.6848 3.6865 3.6865 4.7179 4.7179 4.7239 4.7239 4.9535 4.9535 4.9622 4.9622 k = 0.5000-0.4924 1.0270 ( 5784 PWs) bands (ev): -25.1891 -25.1891 -25.1890 -25.1890 -25.1529 -25.1529 -25.1528 -25.1528 -10.0084 -10.0084 -9.9821 -9.9821 -9.9279 -9.9279 -9.8883 -9.8883 -9.2336 -9.2336 -9.2318 -9.2318 -9.1105 -9.1105 -9.0744 -9.0744 -8.9528 -8.9528 -8.9185 -8.9185 -8.8425 -8.8425 -8.7871 -8.7871 3.6244 3.6244 3.6258 3.6258 4.6791 4.6791 4.6839 4.6839 4.9168 4.9168 4.9242 4.9242 k = 0.5000-0.5056 0.9921 ( 5788 PWs) bands (ev): -25.1901 -25.1901 -25.1900 -25.1900 -25.1542 -25.1542 -25.1541 -25.1541 -10.0060 -10.0060 -9.9785 -9.9785 -9.9236 -9.9236 -9.8829 -9.8829 -9.2277 -9.2277 -9.2242 -9.2242 -9.1065 -9.1065 -9.0670 -9.0670 -8.9493 -8.9493 -8.9174 -8.9174 -8.8388 -8.8388 -8.7841 -8.7841 3.5646 3.5646 3.5658 3.5658 4.6397 4.6397 4.6434 4.6434 4.8769 4.8769 4.8832 4.8832 k = 0.5000-0.5189 0.9571 ( 5792 PWs) bands (ev): -25.1911 -25.1911 -25.1910 -25.1910 -25.1556 -25.1556 -25.1555 -25.1555 -10.0036 -10.0036 -9.9754 -9.9754 -9.9192 -9.9192 -9.8777 -9.8777 -9.2213 -9.2213 -9.2166 -9.2166 -9.1023 -9.1023 -9.0600 -9.0600 -8.9455 -8.9455 -8.9164 -8.9164 -8.8344 -8.8344 -8.7810 -8.7810 3.5057 3.5057 3.5067 3.5067 4.6002 4.6002 4.6031 4.6031 4.8341 4.8341 4.8395 4.8395 k = 0.5000-0.5322 0.9222 ( 5782 PWs) bands (ev): -25.1921 -25.1921 -25.1920 -25.1920 -25.1569 -25.1569 -25.1567 -25.1567 -10.0014 -10.0014 -9.9728 -9.9728 -9.9147 -9.9147 -9.8728 -9.8728 -9.2146 -9.2146 -9.2090 -9.2090 -9.0980 -9.0980 -9.0536 -9.0536 -8.9412 -8.9412 -8.9153 -8.9153 -8.8293 -8.8293 -8.7778 -8.7778 3.4478 3.4478 3.4488 3.4488 4.5611 4.5611 4.5634 4.5634 4.7887 4.7887 4.7935 4.7935 k = 0.5000-0.5455 0.8873 ( 5782 PWs) bands (ev): -25.1931 -25.1931 -25.1930 -25.1930 -25.1581 -25.1581 -25.1580 -25.1580 -9.9993 -9.9993 -9.9706 -9.9706 -9.9103 -9.9103 -9.8683 -9.8683 -9.2076 -9.2076 -9.2017 -9.2017 -9.0937 -9.0937 -9.0480 -9.0480 -8.9366 -8.9366 -8.9139 -8.9139 -8.8238 -8.8238 -8.7745 -8.7745 3.3913 3.3913 3.3921 3.3921 4.5229 4.5229 4.5247 4.5247 4.7414 4.7414 4.7456 4.7456 k = 0.5000-0.5588 0.8524 ( 5770 PWs) bands (ev): -25.1942 -25.1942 -25.1940 -25.1940 -25.1593 -25.1593 -25.1592 -25.1592 -9.9974 -9.9974 -9.9689 -9.9689 -9.9057 -9.9057 -9.8642 -9.8642 -9.2005 -9.2005 -9.1945 -9.1945 -9.0894 -9.0894 -9.0432 -9.0432 -8.9316 -8.9316 -8.9120 -8.9120 -8.8180 -8.8180 -8.7711 -8.7711 3.3363 3.3363 3.3370 3.3370 4.4859 4.4859 4.4873 4.4873 4.6927 4.6927 4.6965 4.6965 k = 0.5000-0.5721 0.8175 ( 5768 PWs) bands (ev): -25.1952 -25.1952 -25.1951 -25.1951 -25.1605 -25.1605 -25.1604 -25.1604 -9.9955 -9.9955 -9.9676 -9.9676 -9.9013 -9.9013 -9.8605 -9.8605 -9.1932 -9.1932 -9.1875 -9.1875 -9.0851 -9.0851 -9.0394 -9.0394 -8.9263 -8.9263 -8.9095 -8.9095 -8.8119 -8.8119 -8.7677 -8.7677 3.2832 3.2832 3.2838 3.2838 4.4503 4.4503 4.4514 4.4514 4.6434 4.6434 4.6468 4.6468 k = 0.5000-0.5854 0.7826 ( 5756 PWs) bands (ev): -25.1962 -25.1962 -25.1961 -25.1961 -25.1616 -25.1616 -25.1615 -25.1615 -9.9938 -9.9938 -9.9668 -9.9668 -9.8968 -9.8968 -9.8572 -9.8572 -9.1860 -9.1860 -9.1809 -9.1809 -9.0809 -9.0809 -9.0364 -9.0364 -8.9208 -8.9208 -8.9064 -8.9064 -8.8056 -8.8056 -8.7643 -8.7643 3.2321 3.2321 3.2325 3.2325 4.4164 4.4164 4.4173 4.4173 4.5941 4.5941 4.5972 4.5972 k = 0.5000-0.5987 0.7476 ( 5752 PWs) bands (ev): -25.1971 -25.1971 -25.1970 -25.1970 -25.1626 -25.1626 -25.1625 -25.1625 -9.9922 -9.9922 -9.9662 -9.9662 -9.8924 -9.8924 -9.8543 -9.8543 -9.1789 -9.1789 -9.1746 -9.1746 -9.0768 -9.0768 -9.0344 -9.0344 -8.9151 -8.9151 -8.9028 -8.9028 -8.7992 -8.7992 -8.7609 -8.7609 3.1832 3.1832 3.1836 3.1836 4.3843 4.3843 4.3851 4.3851 4.5454 4.5454 4.5483 4.5483 k = 0.5000-0.6120 0.7127 ( 5746 PWs) bands (ev): -25.1981 -25.1981 -25.1980 -25.1980 -25.1636 -25.1636 -25.1635 -25.1635 -9.9907 -9.9907 -9.9660 -9.9660 -9.8882 -9.8882 -9.8518 -9.8518 -9.1720 -9.1720 -9.1687 -9.1687 -9.0728 -9.0728 -9.0331 -9.0331 -8.9094 -8.9094 -8.8988 -8.8988 -8.7928 -8.7928 -8.7575 -8.7575 3.1369 3.1369 3.1372 3.1372 4.3542 4.3542 4.3550 4.3550 4.4980 4.4980 4.5007 4.5007 k = 0.5000-0.6253 0.6778 ( 5742 PWs) bands (ev): -25.1989 -25.1989 -25.1989 -25.1989 -25.1646 -25.1646 -25.1645 -25.1645 -9.9892 -9.9892 -9.9661 -9.9661 -9.8840 -9.8840 -9.8497 -9.8497 -9.1654 -9.1654 -9.1631 -9.1631 -9.0691 -9.0691 -9.0326 -9.0326 -8.9036 -8.9036 -8.8944 -8.8944 -8.7865 -8.7865 -8.7542 -8.7542 3.0933 3.0933 3.0936 3.0936 4.3261 4.3261 4.3269 4.3269 4.4523 4.4523 4.4549 4.4549 k = 0.5000-0.6386 0.6429 ( 5738 PWs) bands (ev): -25.1998 -25.1998 -25.1997 -25.1997 -25.1654 -25.1654 -25.1653 -25.1653 -9.9879 -9.9879 -9.9664 -9.9664 -9.8800 -9.8800 -9.8481 -9.8481 -9.1592 -9.1592 -9.1580 -9.1580 -9.0655 -9.0655 -9.0326 -9.0326 -8.8979 -8.8979 -8.8899 -8.8899 -8.7804 -8.7804 -8.7511 -8.7511 3.0527 3.0527 3.0530 3.0530 4.3003 4.3003 4.3011 4.3011 4.4090 4.4090 4.4114 4.4114 k = 0.5000-0.6519 0.6080 ( 5738 PWs) bands (ev): -25.2006 -25.2006 -25.2005 -25.2005 -25.1662 -25.1662 -25.1661 -25.1661 -9.9866 -9.9866 -9.9669 -9.9669 -9.8762 -9.8762 -9.8468 -9.8468 -9.1535 -9.1535 -9.1532 -9.1532 -9.0621 -9.0621 -9.0330 -9.0330 -8.8924 -8.8924 -8.8854 -8.8854 -8.7744 -8.7744 -8.7481 -8.7481 3.0153 3.0153 3.0155 3.0155 4.2767 4.2767 4.2776 4.2776 4.3685 4.3685 4.3708 4.3708 k = 0.5000-0.6652 0.5731 ( 5746 PWs) bands (ev): -25.2013 -25.2013 -25.2012 -25.2012 -25.1669 -25.1669 -25.1669 -25.1669 -9.9854 -9.9854 -9.9676 -9.9676 -9.8725 -9.8725 -9.8459 -9.8459 -9.1489 -9.1489 -9.1483 -9.1483 -9.0590 -9.0590 -9.0338 -9.0338 -8.8871 -8.8871 -8.8810 -8.8810 -8.7687 -8.7687 -8.7455 -8.7455 2.9813 2.9813 2.9814 2.9814 4.2554 4.2554 4.2564 4.2564 4.3312 4.3312 4.3335 4.3335 k = 0.5000-0.6785 0.5381 ( 5744 PWs) bands (ev): -25.2020 -25.2020 -25.2019 -25.2019 -25.1675 -25.1675 -25.1675 -25.1675 -9.9842 -9.9842 -9.9684 -9.9684 -9.8691 -9.8691 -9.8454 -9.8454 -9.1450 -9.1450 -9.1436 -9.1436 -9.0561 -9.0561 -9.0347 -9.0347 -8.8822 -8.8822 -8.8768 -8.8768 -8.7633 -8.7633 -8.7431 -8.7431 2.9508 2.9508 2.9509 2.9509 4.2364 4.2364 4.2375 4.2375 4.2975 4.2975 4.2997 4.2997 k = 0.5000-0.6918 0.5032 ( 5748 PWs) bands (ev): -25.2025 -25.2025 -25.2025 -25.2025 -25.1681 -25.1681 -25.1681 -25.1681 -9.9830 -9.9830 -9.9694 -9.9694 -9.8658 -9.8658 -9.8452 -9.8452 -9.1416 -9.1416 -9.1397 -9.1397 -9.0536 -9.0536 -9.0358 -9.0358 -8.8777 -8.8777 -8.8731 -8.8731 -8.7583 -8.7583 -8.7410 -8.7410 2.9240 2.9240 2.9241 2.9241 4.2198 4.2198 4.2211 4.2211 4.2677 4.2677 4.2700 4.2700 k = 0.5000-0.7050 0.4683 ( 5748 PWs) bands (ev): -25.2030 -25.2030 -25.2030 -25.2030 -25.1686 -25.1686 -25.1686 -25.1686 -9.9819 -9.9819 -9.9704 -9.9704 -9.8627 -9.8627 -9.8454 -9.8454 -9.1385 -9.1385 -9.1364 -9.1364 -9.0512 -9.0512 -9.0370 -9.0370 -8.8737 -8.8737 -8.8698 -8.8698 -8.7538 -8.7538 -8.7394 -8.7394 2.9011 2.9011 2.9012 2.9012 4.2056 4.2056 4.2070 4.2070 4.2422 4.2422 4.2445 4.2445 k = 0.5000-0.7183 0.4334 ( 5730 PWs) bands (ev): -25.2034 -25.2034 -25.2034 -25.2034 -25.1690 -25.1690 -25.1690 -25.1690 -9.9807 -9.9807 -9.9715 -9.9715 -9.8598 -9.8598 -9.8458 -9.8458 -9.1358 -9.1358 -9.1338 -9.1338 -9.0492 -9.0492 -9.0381 -9.0381 -8.8702 -8.8702 -8.8671 -8.8671 -8.7497 -8.7497 -8.7383 -8.7383 2.8822 2.8822 2.8823 2.8823 4.1937 4.1937 4.1953 4.1953 4.2212 4.2212 4.2235 4.2235 k = 0.5000-0.7316 0.3985 ( 5740 PWs) bands (ev): -25.2037 -25.2037 -25.2037 -25.2037 -25.1693 -25.1693 -25.1693 -25.1693 -9.9795 -9.9795 -9.9726 -9.9726 -9.8572 -9.8572 -9.8466 -9.8466 -9.1337 -9.1337 -9.1319 -9.1319 -9.0473 -9.0473 -9.0393 -9.0393 -8.8674 -8.8674 -8.8650 -8.8650 -8.7462 -8.7462 -8.7377 -8.7377 2.8674 2.8674 2.8674 2.8674 4.1841 4.1841 4.1857 4.1857 4.2051 4.2051 4.2072 4.2072 k = 0.5000-0.7449 0.3636 ( 5744 PWs) bands (ev): -25.2040 -25.2040 -25.2040 -25.2040 -25.1695 -25.1695 -25.1695 -25.1695 -9.9784 -9.9784 -9.9738 -9.9738 -9.8548 -9.8548 -9.8477 -9.8477 -9.1320 -9.1320 -9.1307 -9.1307 -9.0457 -9.0457 -9.0405 -9.0405 -8.8652 -8.8652 -8.8636 -8.8636 -8.7433 -8.7433 -8.7376 -8.7376 2.8567 2.8567 2.8568 2.8568 4.1770 4.1770 4.1784 4.1784 4.1941 4.1941 4.1958 4.1958 k = 0.5000-0.7582 0.3287 ( 5748 PWs) bands (ev): -25.2041 -25.2041 -25.2041 -25.2041 -25.1697 -25.1697 -25.1696 -25.1696 -9.9773 -9.9773 -9.9749 -9.9749 -9.8527 -9.8527 -9.8491 -9.8491 -9.1308 -9.1308 -9.1301 -9.1301 -9.0442 -9.0442 -9.0417 -9.0417 -8.8637 -8.8637 -8.8629 -8.8629 -8.7410 -8.7410 -8.7381 -8.7381 2.8503 2.8503 2.8503 2.8503 4.1727 4.1727 4.1735 4.1735 4.1879 4.1879 4.1889 4.1889 k = 0.5000-0.7715 0.2937 ( 5750 PWs) bands (ev): -25.2041 -25.2041 -25.2041 -25.2041 -25.1697 -25.1697 -25.1697 -25.1697 -9.9761 -9.9761 -9.9761 -9.9761 -9.8507 -9.8507 -9.8507 -9.8507 -9.1302 -9.1302 -9.1302 -9.1302 -9.0429 -9.0429 -9.0429 -9.0429 -8.8630 -8.8630 -8.8630 -8.8630 -8.7393 -8.7393 -8.7393 -8.7393 2.8482 2.8482 2.8482 2.8482 4.1715 4.1715 4.1715 4.1715 4.1863 4.1863 4.1863 4.1863 k = 1.0000-0.4885 0.1860 ( 5740 PWs) bands (ev): -25.2042 -25.2042 -25.2042 -25.2042 -25.1697 -25.1697 -25.1697 -25.1697 -9.9704 -9.9704 -9.9704 -9.9704 -9.8571 -9.8571 -9.8571 -9.8571 -9.1454 -9.1454 -9.1454 -9.1454 -9.0174 -9.0174 -9.0174 -9.0174 -8.8718 -8.8718 -8.8718 -8.8718 -8.7402 -8.7402 -8.7402 -8.7402 3.0471 3.0471 3.0471 3.0471 3.5314 3.5314 3.5314 3.5314 4.6264 4.6264 4.6264 4.6264 k = 1.0000-0.4752 0.2208 ( 5744 PWs) bands (ev): -25.2047 -25.2047 -25.2035 -25.2035 -25.1703 -25.1703 -25.1690 -25.1690 -9.9720 -9.9720 -9.9688 -9.9688 -9.8592 -9.8592 -9.8553 -9.8553 -9.1487 -9.1487 -9.1424 -9.1424 -9.0202 -9.0202 -9.0147 -9.0147 -8.8744 -8.8744 -8.8700 -8.8700 -8.7421 -8.7421 -8.7389 -8.7389 3.0491 3.0491 3.0499 3.0499 3.5317 3.5317 3.5336 3.5336 4.6279 4.6279 4.6297 4.6297 k = 1.0000-0.4620 0.2556 ( 5740 PWs) bands (ev): -25.2052 -25.2052 -25.2027 -25.2027 -25.1708 -25.1708 -25.1682 -25.1682 -9.9736 -9.9736 -9.9673 -9.9673 -9.8615 -9.8615 -9.8537 -9.8537 -9.1524 -9.1524 -9.1399 -9.1399 -9.0233 -9.0233 -9.0123 -9.0123 -8.8779 -8.8779 -8.8689 -8.8689 -8.7445 -8.7445 -8.7382 -8.7382 3.0559 3.0559 3.0575 3.0575 3.5344 3.5344 3.5382 3.5382 4.6342 4.6342 4.6380 4.6380 k = 1.0000-0.4487 0.2905 ( 5728 PWs) bands (ev): -25.2055 -25.2055 -25.2017 -25.2017 -25.1713 -25.1713 -25.1674 -25.1674 -9.9752 -9.9752 -9.9657 -9.9657 -9.8640 -9.8640 -9.8524 -9.8524 -9.1565 -9.1565 -9.1379 -9.1379 -9.0266 -9.0266 -9.0101 -9.0101 -8.8820 -8.8820 -8.8686 -8.8686 -8.7476 -8.7476 -8.7380 -8.7380 3.0675 3.0675 3.0697 3.0697 3.5394 3.5394 3.5453 3.5453 4.6452 4.6452 4.6511 4.6511 k = 1.0000-0.4355 0.3253 ( 5724 PWs) bands (ev): -25.2057 -25.2057 -25.2007 -25.2007 -25.1718 -25.1718 -25.1665 -25.1665 -9.9769 -9.9769 -9.9642 -9.9642 -9.8666 -9.8666 -9.8513 -9.8513 -9.1609 -9.1609 -9.1364 -9.1364 -9.0299 -9.0299 -9.0082 -9.0082 -8.8870 -8.8870 -8.8690 -8.8690 -8.7512 -8.7512 -8.7385 -8.7385 3.0837 3.0837 3.0867 3.0867 3.5467 3.5467 3.5549 3.5549 4.6610 4.6610 4.6692 4.6692 k = 1.0000-0.4222 0.3601 ( 5730 PWs) bands (ev): -25.2059 -25.2059 -25.1995 -25.1995 -25.1721 -25.1721 -25.1656 -25.1656 -9.9786 -9.9786 -9.9627 -9.9627 -9.8696 -9.8696 -9.8505 -9.8505 -9.1656 -9.1656 -9.1356 -9.1356 -9.0334 -9.0334 -9.0065 -9.0065 -8.8927 -8.8927 -8.8701 -8.8701 -8.7552 -8.7552 -8.7395 -8.7395 3.1045 3.1045 3.1082 3.1082 3.5561 3.5561 3.5669 3.5669 4.6813 4.6813 4.6922 4.6922 k = 1.0000-0.4089 0.3950 ( 5729 PWs) bands (ev): -25.2059 -25.2059 -25.1982 -25.1982 -25.1724 -25.1724 -25.1646 -25.1646 -9.9803 -9.9803 -9.9613 -9.9613 -9.8727 -9.8727 -9.8500 -9.8500 -9.1706 -9.1706 -9.1354 -9.1354 -9.0370 -9.0370 -9.0051 -9.0051 -8.8991 -8.8991 -8.8718 -8.8718 -8.7598 -8.7598 -8.7409 -8.7409 3.1299 3.1299 3.1343 3.1343 3.5674 3.5674 3.5813 3.5813 4.7063 4.7063 4.7202 4.7202 k = 1.0000-0.3957 0.4298 ( 5733 PWs) bands (ev): -25.2058 -25.2058 -25.1969 -25.1969 -25.1727 -25.1727 -25.1636 -25.1636 -9.9821 -9.9821 -9.9599 -9.9599 -9.8760 -9.8760 -9.8498 -9.8498 -9.1759 -9.1759 -9.1359 -9.1359 -9.0405 -9.0405 -9.0039 -9.0039 -8.9061 -8.9061 -8.8740 -8.8740 -8.7647 -8.7647 -8.7429 -8.7429 3.1597 3.1597 3.1647 3.1647 3.5806 3.5806 3.5979 3.5979 4.7356 4.7356 4.7530 4.7530 k = 1.0000-0.3824 0.4646 ( 5737 PWs) bands (ev): -25.2056 -25.2056 -25.1954 -25.1954 -25.1729 -25.1729 -25.1625 -25.1625 -9.9839 -9.9839 -9.9587 -9.9587 -9.8795 -9.8795 -9.8499 -9.8499 -9.1814 -9.1814 -9.1372 -9.1372 -9.0441 -9.0441 -9.0029 -9.0029 -8.9137 -8.9137 -8.8767 -8.8767 -8.7699 -8.7699 -8.7451 -8.7451 3.1937 3.1937 3.1994 3.1994 3.5956 3.5956 3.6167 3.6167 4.7693 4.7693 4.7908 4.7908 k = 1.0000-0.3692 0.4994 ( 5739 PWs) bands (ev): -25.2053 -25.2053 -25.1938 -25.1938 -25.1730 -25.1730 -25.1613 -25.1613 -9.9858 -9.9858 -9.9575 -9.9575 -9.8833 -9.8833 -9.8503 -9.8503 -9.1873 -9.1873 -9.1392 -9.1392 -9.0477 -9.0477 -9.0022 -9.0022 -8.9217 -8.9217 -8.8799 -8.8799 -8.7753 -8.7753 -8.7477 -8.7477 3.2319 3.2319 3.2382 3.2382 3.6120 3.6120 3.6376 3.6376 4.8072 4.8072 4.8333 4.8333 k = 1.0000-0.3559 0.5343 ( 5739 PWs) bands (ev): -25.2049 -25.2049 -25.1921 -25.1921 -25.1732 -25.1732 -25.1601 -25.1601 -9.9878 -9.9878 -9.9564 -9.9564 -9.8872 -9.8872 -9.8511 -9.8511 -9.1934 -9.1934 -9.1421 -9.1421 -9.0512 -9.0512 -9.0018 -9.0018 -8.9302 -8.9302 -8.8833 -8.8833 -8.7809 -8.7809 -8.7506 -8.7506 3.2740 3.2740 3.2809 3.2809 3.6299 3.6299 3.6604 3.6604 4.8491 4.8491 4.8805 4.8805 k = 1.0000-0.3426 0.5691 ( 5757 PWs) bands (ev): -25.2045 -25.2045 -25.1904 -25.1904 -25.1733 -25.1733 -25.1589 -25.1589 -9.9899 -9.9899 -9.9555 -9.9555 -9.8914 -9.8914 -9.8523 -9.8523 -9.1997 -9.1997 -9.1457 -9.1457 -9.0548 -9.0548 -9.0017 -9.0017 -8.9389 -8.9389 -8.8869 -8.8869 -8.7867 -8.7867 -8.7537 -8.7537 3.3198 3.3198 3.3273 3.3273 3.6490 3.6490 3.6851 3.6851 4.8949 4.8949 4.9323 4.9323 k = 1.0000-0.3294 0.6039 ( 5753 PWs) bands (ev): -25.2039 -25.2039 -25.1885 -25.1885 -25.1733 -25.1733 -25.1576 -25.1576 -9.9921 -9.9921 -9.9548 -9.9548 -9.8957 -9.8957 -9.8538 -9.8538 -9.2062 -9.2062 -9.1500 -9.1500 -9.0584 -9.0584 -9.0019 -9.0019 -8.9477 -8.9477 -8.8907 -8.8907 -8.7924 -8.7924 -8.7568 -8.7568 3.3693 3.3693 3.3773 3.3773 3.6691 3.6691 3.7115 3.7115 4.9442 4.9442 4.9885 4.9885 k = 1.0000-0.3161 0.6387 ( 5749 PWs) bands (ev): -25.2033 -25.2033 -25.1865 -25.1865 -25.1733 -25.1733 -25.1563 -25.1563 -9.9944 -9.9944 -9.9542 -9.9542 -9.9003 -9.9003 -9.8558 -9.8558 -9.2129 -9.2129 -9.1550 -9.1550 -9.0621 -9.0621 -9.0029 -9.0029 -8.9563 -8.9563 -8.8945 -8.8945 -8.7982 -8.7982 -8.7600 -8.7600 3.4220 3.4220 3.4306 3.4306 3.6903 3.6903 3.7396 3.7396 4.9969 4.9969 5.0489 5.0489 k = 1.0000-0.3029 0.6736 ( 5757 PWs) bands (ev): -25.2026 -25.2026 -25.1845 -25.1845 -25.1733 -25.1733 -25.1550 -25.1550 -9.9969 -9.9969 -9.9538 -9.9538 -9.9051 -9.9051 -9.8581 -9.8581 -9.2197 -9.2197 -9.1605 -9.1605 -9.0660 -9.0660 -9.0048 -9.0048 -8.9641 -8.9641 -8.8982 -8.8982 -8.8039 -8.8039 -8.7633 -8.7633 3.4779 3.4779 3.4870 3.4870 3.7123 3.7123 3.7691 3.7691 5.0526 5.0526 5.1132 5.1132 k = 1.0000-0.2896 0.7084 ( 5741 PWs) bands (ev): -25.2018 -25.2018 -25.1825 -25.1825 -25.1733 -25.1733 -25.1536 -25.1536 -9.9995 -9.9995 -9.9536 -9.9536 -9.9100 -9.9100 -9.8609 -9.8609 -9.2265 -9.2265 -9.1663 -9.1663 -9.0700 -9.0700 -9.0082 -9.0082 -8.9708 -8.9708 -8.9018 -8.9018 -8.8094 -8.8094 -8.7665 -8.7665 3.5365 3.5365 3.5462 3.5462 3.7350 3.7350 3.8002 3.8002 5.1109 5.1109 5.1812 5.1812 k = 1.0000-0.2763 0.7432 ( 5739 PWs) bands (ev): -25.2010 -25.2010 -25.1803 -25.1803 -25.1733 -25.1733 -25.1522 -25.1522 -10.0022 -10.0022 -9.9537 -9.9537 -9.9152 -9.9152 -9.8640 -9.8640 -9.2334 -9.2334 -9.1725 -9.1725 -9.0742 -9.0742 -9.0135 -9.0135 -8.9756 -8.9756 -8.9053 -8.9053 -8.8148 -8.8148 -8.7697 -8.7697 3.5977 3.5977 3.6081 3.6081 3.7585 3.7585 3.8325 3.8325 5.1713 5.1713 5.2526 5.2526 k = 1.0000-0.2631 0.7781 ( 5747 PWs) bands (ev): -25.2002 -25.2002 -25.1781 -25.1781 -25.1732 -25.1732 -25.1508 -25.1508 -10.0051 -10.0051 -9.9540 -9.9540 -9.9206 -9.9206 -9.8676 -9.8676 -9.2403 -9.2403 -9.1790 -9.1790 -9.0786 -9.0786 -9.0208 -9.0208 -8.9788 -8.9788 -8.9086 -8.9086 -8.8200 -8.8200 -8.7727 -8.7727 3.6612 3.6612 3.6722 3.6722 3.7826 3.7826 3.8661 3.8661 5.2332 5.2332 5.3270 5.3270 k = 1.0000-0.2498 0.8129 ( 5741 PWs) bands (ev): -25.1993 -25.1993 -25.1759 -25.1759 -25.1732 -25.1732 -25.1494 -25.1494 -10.0081 -10.0081 -9.9546 -9.9546 -9.9260 -9.9260 -9.8715 -9.8715 -9.2470 -9.2470 -9.1855 -9.1855 -9.0830 -9.0830 -9.0294 -9.0294 -8.9806 -8.9806 -8.9117 -8.9117 -8.8248 -8.8248 -8.7756 -8.7756 3.7264 3.7264 3.7382 3.7382 3.8075 3.8075 3.9009 3.9009 5.2960 5.2960 5.4041 5.4041 k = 1.0000-0.2366 0.8477 ( 5745 PWs) bands (ev): -25.1984 -25.1984 -25.1736 -25.1736 -25.1732 -25.1732 -25.1481 -25.1481 -10.0113 -10.0113 -9.9555 -9.9555 -9.9316 -9.9316 -9.8759 -9.8759 -9.2537 -9.2537 -9.1921 -9.1921 -9.0876 -9.0876 -9.0390 -9.0390 -8.9815 -8.9815 -8.9147 -8.9147 -8.8293 -8.8293 -8.7783 -8.7783 3.7920 3.7920 3.8054 3.8054 3.8348 3.8348 3.9370 3.9370 5.3586 5.3586 5.4836 5.4836 k = 1.0000-0.2233 0.8825 ( 5743 PWs) bands (ev): -25.1974 -25.1974 -25.1732 -25.1732 -25.1713 -25.1713 -25.1467 -25.1467 -10.0146 -10.0146 -9.9568 -9.9568 -9.9373 -9.9373 -9.8805 -9.8805 -9.2601 -9.2601 -9.1986 -9.1986 -9.0922 -9.0922 -9.0490 -9.0490 -8.9821 -8.9821 -8.9175 -8.9175 -8.8334 -8.8334 -8.7809 -8.7809 3.8462 3.8462 3.8690 3.8690 3.8803 3.8803 3.9742 3.9742 5.4199 5.4199 5.5649 5.5649 k = 1.0000-0.2100 0.9174 ( 5737 PWs) bands (ev): -25.1964 -25.1964 -25.1732 -25.1732 -25.1690 -25.1690 -25.1453 -25.1453 -10.0180 -10.0180 -9.9584 -9.9584 -9.9429 -9.9429 -9.8854 -9.8854 -9.2663 -9.2663 -9.2050 -9.2050 -9.0967 -9.0967 -9.0592 -9.0592 -8.9823 -8.9823 -8.9203 -8.9203 -8.8370 -8.8370 -8.7832 -8.7832 3.8765 3.8765 3.9359 3.9359 3.9484 3.9484 4.0130 4.0130 5.4782 5.4782 5.6477 5.6477 k = 1.0000-0.1968 0.9522 ( 5745 PWs) bands (ev): -25.1954 -25.1954 -25.1732 -25.1732 -25.1666 -25.1666 -25.1440 -25.1440 -10.0216 -10.0216 -9.9607 -9.9607 -9.9483 -9.9483 -9.8907 -9.8907 -9.2722 -9.2722 -9.2111 -9.2111 -9.1011 -9.1011 -9.0694 -9.0694 -8.9825 -8.9825 -8.9231 -8.9231 -8.8402 -8.8402 -8.7854 -8.7854 3.9027 3.9027 4.0055 4.0055 4.0181 4.0181 4.0546 4.0546 5.5311 5.5311 5.7313 5.7313 k = 1.0000-0.1835 0.9870 ( 5745 PWs) bands (ev): -25.1944 -25.1944 -25.1733 -25.1733 -25.1643 -25.1643 -25.1427 -25.1427 -10.0252 -10.0252 -9.9638 -9.9638 -9.9531 -9.9531 -9.8961 -9.8961 -9.2778 -9.2778 -9.2170 -9.2170 -9.1053 -9.1053 -9.0795 -9.0795 -8.9827 -8.9827 -8.9258 -8.9258 -8.8429 -8.8429 -8.7873 -8.7873 3.9284 3.9284 4.0723 4.0723 4.0835 4.0835 4.1062 4.1062 5.5751 5.5751 5.8098 5.8098 k = 1.0000-0.1703 1.0218 ( 5757 PWs) bands (ev): -25.1935 -25.1935 -25.1734 -25.1734 -25.1619 -25.1619 -25.1415 -25.1415 -10.0289 -10.0289 -9.9680 -9.9680 -9.9570 -9.9570 -9.9017 -9.9017 -9.2830 -9.2830 -9.2225 -9.2225 -9.1092 -9.1092 -9.0894 -9.0894 -8.9831 -8.9831 -8.9287 -8.9287 -8.8450 -8.8450 -8.7890 -8.7890 3.9540 3.9540 4.1225 4.1225 4.1513 4.1513 4.1737 4.1737 5.6055 5.6055 5.7646 5.7646 k = 1.0000-0.1570 1.0567 ( 5765 PWs) bands (ev): -25.1925 -25.1925 -25.1736 -25.1736 -25.1596 -25.1596 -25.1403 -25.1403 -10.0326 -10.0326 -9.9732 -9.9732 -9.9601 -9.9601 -9.9074 -9.9074 -9.2879 -9.2879 -9.2277 -9.2277 -9.1129 -9.1129 -9.0989 -9.0989 -8.9835 -8.9835 -8.9317 -8.9317 -8.8465 -8.8465 -8.7905 -8.7905 3.9795 3.9795 4.1658 4.1658 4.2221 4.2221 4.2462 4.2462 5.6169 5.6169 5.7199 5.7199 k = 1.0000-0.1437 1.0915 ( 5765 PWs) bands (ev): -25.1916 -25.1916 -25.1738 -25.1738 -25.1573 -25.1573 -25.1391 -25.1391 -10.0363 -10.0363 -9.9789 -9.9789 -9.9628 -9.9628 -9.9131 -9.9131 -9.2924 -9.2924 -9.2324 -9.2324 -9.1164 -9.1164 -9.1079 -9.1079 -8.9842 -8.9842 -8.9347 -8.9347 -8.8475 -8.8475 -8.7917 -8.7917 4.0050 4.0050 4.2084 4.2084 4.2929 4.2929 4.3196 4.3196 5.6055 5.6055 5.6787 5.6787 k = 1.0000-0.1305 1.1263 ( 5767 PWs) bands (ev): -25.1907 -25.1907 -25.1741 -25.1741 -25.1550 -25.1550 -25.1380 -25.1380 -10.0400 -10.0400 -9.9849 -9.9849 -9.9651 -9.9651 -9.9188 -9.9188 -9.2966 -9.2966 -9.2366 -9.2366 -9.1200 -9.1200 -9.1159 -9.1159 -8.9852 -8.9852 -8.9378 -8.9378 -8.8480 -8.8480 -8.7927 -8.7927 4.0306 4.0306 4.2513 4.2513 4.3629 4.3629 4.3932 4.3932 5.5735 5.5735 5.6383 5.6383 k = 1.0000-0.1172 1.1612 ( 5763 PWs) bands (ev): -25.1898 -25.1898 -25.1744 -25.1744 -25.1527 -25.1527 -25.1369 -25.1369 -10.0436 -10.0436 -9.9910 -9.9910 -9.9674 -9.9674 -9.9244 -9.9244 -9.3004 -9.3004 -9.2404 -9.2404 -9.1260 -9.1260 -9.1207 -9.1207 -8.9865 -8.9865 -8.9409 -8.9409 -8.8481 -8.8481 -8.7935 -8.7935 4.0562 4.0562 4.2947 4.2947 4.4318 4.4318 4.4664 4.4664 5.5254 5.5254 5.5971 5.5971 k = 1.0000-0.1040 1.1960 ( 5755 PWs) bands (ev): -25.1890 -25.1890 -25.1748 -25.1748 -25.1505 -25.1505 -25.1360 -25.1360 -10.0471 -10.0471 -9.9971 -9.9971 -9.9695 -9.9695 -9.9297 -9.9297 -9.3039 -9.3039 -9.2436 -9.2436 -9.1331 -9.1331 -9.1232 -9.1232 -8.9882 -8.9882 -8.9439 -8.9439 -8.8477 -8.8477 -8.7940 -8.7940 4.0818 4.0818 4.3387 4.3387 4.4991 4.4991 4.5389 4.5389 5.4624 5.4624 5.5581 5.5581 k = 1.0000-0.0907 1.2308 ( 5763 PWs) bands (ev): -25.1882 -25.1882 -25.1753 -25.1753 -25.1483 -25.1483 -25.1351 -25.1351 -10.0505 -10.0505 -10.0030 -10.0030 -9.9715 -9.9715 -9.9348 -9.9348 -9.3071 -9.3071 -9.2463 -9.2463 -9.1400 -9.1400 -9.1251 -9.1251 -8.9906 -8.9906 -8.9467 -8.9467 -8.8470 -8.8470 -8.7943 -8.7943 4.1076 4.1076 4.3831 4.3831 4.5644 4.5644 4.6104 4.6104 5.3866 5.3866 5.5236 5.5236 k = 1.0000-0.0774 1.2656 ( 5771 PWs) bands (ev): -25.1875 -25.1875 -25.1759 -25.1759 -25.1462 -25.1462 -25.1342 -25.1342 -10.0537 -10.0537 -10.0089 -10.0089 -9.9733 -9.9733 -9.9394 -9.9394 -9.3100 -9.3100 -9.2486 -9.2486 -9.1461 -9.1461 -9.1265 -9.1265 -8.9935 -8.9935 -8.9492 -8.9492 -8.8461 -8.8461 -8.7944 -8.7944 4.1334 4.1334 4.4281 4.4281 4.6272 4.6272 4.6806 4.6806 5.3013 5.3013 5.4939 5.4939 k = 1.0000-0.0642 1.3005 ( 5759 PWs) bands (ev): -25.1868 -25.1868 -25.1765 -25.1765 -25.1441 -25.1441 -25.1334 -25.1334 -10.0566 -10.0566 -10.0145 -10.0145 -9.9750 -9.9750 -9.9436 -9.9436 -9.3127 -9.3127 -9.2504 -9.2504 -9.1515 -9.1515 -9.1274 -9.1274 -8.9970 -8.9970 -8.9513 -8.9513 -8.8450 -8.8450 -8.7942 -8.7942 4.1594 4.1594 4.4735 4.4735 4.6872 4.6872 4.7493 4.7493 5.2094 5.2094 5.4688 5.4688 k = 1.0000-0.0509 1.3353 ( 5757 PWs) bands (ev): -25.1862 -25.1862 -25.1772 -25.1772 -25.1421 -25.1421 -25.1328 -25.1328 -10.0593 -10.0593 -10.0198 -10.0198 -9.9765 -9.9765 -9.9471 -9.9471 -9.3151 -9.3151 -9.2518 -9.2518 -9.1560 -9.1560 -9.1279 -9.1279 -9.0013 -9.0013 -8.9530 -8.9530 -8.8437 -8.8437 -8.7939 -8.7939 4.1855 4.1855 4.5191 4.5191 4.7439 4.7439 4.8159 4.8159 5.1131 5.1131 5.4483 5.4483 k = 1.0000-0.0377 1.3701 ( 5755 PWs) bands (ev): -25.1857 -25.1857 -25.1780 -25.1780 -25.1402 -25.1402 -25.1322 -25.1322 -10.0618 -10.0618 -10.0249 -10.0249 -9.9778 -9.9778 -9.9499 -9.9499 -9.3173 -9.3173 -9.2529 -9.2529 -9.1597 -9.1597 -9.1281 -9.1281 -9.0061 -9.0061 -8.9544 -8.9544 -8.8423 -8.8423 -8.7932 -8.7932 4.2117 4.2117 4.5643 4.5643 4.7969 4.7969 4.8800 4.8800 5.0144 5.0144 5.4326 5.4326 k = 0.0000 0.6037 1.5856 ( 5755 PWs) bands (ev): -25.1857 -25.1857 -25.1780 -25.1780 -25.1402 -25.1402 -25.1322 -25.1322 -10.0618 -10.0618 -10.0249 -10.0249 -9.9778 -9.9778 -9.9499 -9.9499 -9.3173 -9.3173 -9.2529 -9.2529 -9.1597 -9.1597 -9.1281 -9.1281 -9.0061 -9.0061 -8.9544 -8.9544 -8.8423 -8.8423 -8.7932 -8.7932 4.2117 4.2117 4.5643 4.5643 4.7969 4.7969 4.8800 4.8800 5.0144 5.0144 5.4326 5.4326 k = 0.0312 0.6188 1.5722 ( 5755 PWs) bands (ev): -25.1856 -25.1856 -25.1782 -25.1782 -25.1398 -25.1398 -25.1321 -25.1321 -10.0621 -10.0621 -10.0259 -10.0259 -9.9780 -9.9780 -9.9504 -9.9504 -9.3176 -9.3176 -9.2531 -9.2531 -9.1604 -9.1604 -9.1281 -9.1281 -9.0069 -9.0069 -8.9546 -8.9546 -8.8420 -8.8420 -8.7932 -8.7932 4.2178 4.2178 4.5708 4.5708 4.8101 4.8101 4.8909 4.8909 4.9937 4.9937 5.4313 5.4313 k = 0.0625 0.6339 1.5587 ( 5759 PWs) bands (ev): -25.1854 -25.1854 -25.1785 -25.1785 -25.1394 -25.1394 -25.1320 -25.1320 -10.0623 -10.0623 -10.0272 -10.0272 -9.9781 -9.9781 -9.9511 -9.9511 -9.3179 -9.3179 -9.2533 -9.2533 -9.1611 -9.1611 -9.1283 -9.1283 -9.0075 -9.0075 -8.9550 -8.9550 -8.8413 -8.8413 -8.7934 -8.7934 4.2258 4.2258 4.5738 4.5738 4.8292 4.8292 4.8990 4.8990 4.9699 4.9699 5.4321 5.4321 k = 0.0938 0.6491 1.5452 ( 5767 PWs) bands (ev): -25.1853 -25.1853 -25.1787 -25.1787 -25.1390 -25.1390 -25.1320 -25.1320 -10.0624 -10.0624 -10.0285 -10.0285 -9.9780 -9.9780 -9.9518 -9.9518 -9.3181 -9.3181 -9.2535 -9.2535 -9.1618 -9.1618 -9.1287 -9.1287 -9.0077 -9.0077 -8.9555 -8.9555 -8.8405 -8.8405 -8.7938 -8.7938 4.2358 4.2358 4.5743 4.5743 4.8528 4.8528 4.9032 4.9032 4.9441 4.9441 5.4231 5.4231 k = 0.1250 0.6642 1.5317 ( 5767 PWs) bands (ev): -25.1851 -25.1851 -25.1790 -25.1790 -25.1385 -25.1385 -25.1320 -25.1320 -10.0622 -10.0622 -10.0300 -10.0300 -9.9777 -9.9777 -9.9526 -9.9526 -9.3181 -9.3181 -9.2537 -9.2537 -9.1626 -9.1626 -9.1293 -9.1293 -9.0077 -9.0077 -8.9561 -8.9561 -8.8394 -8.8394 -8.7944 -8.7944 4.2479 4.2479 4.5735 4.5735 4.8795 4.8795 4.9013 4.9013 4.9188 4.9188 5.4008 5.4008 k = 0.1562 0.6793 1.5183 ( 5774 PWs) bands (ev): -25.1849 -25.1849 -25.1793 -25.1793 -25.1380 -25.1380 -25.1321 -25.1321 -10.0620 -10.0620 -10.0316 -10.0316 -9.9774 -9.9774 -9.9535 -9.9535 -9.3182 -9.3182 -9.2539 -9.2539 -9.1633 -9.1633 -9.1300 -9.1300 -9.0075 -9.0075 -8.9568 -8.9568 -8.8381 -8.8381 -8.7952 -8.7952 4.2619 4.2619 4.5722 4.5722 4.8809 4.8809 4.9036 4.9036 4.9111 4.9111 5.3791 5.3791 k = 0.1875 0.6944 1.5048 ( 5790 PWs) bands (ev): -25.1847 -25.1847 -25.1797 -25.1797 -25.1375 -25.1375 -25.1321 -25.1321 -10.0616 -10.0616 -10.0332 -10.0332 -9.9770 -9.9770 -9.9545 -9.9545 -9.3182 -9.3182 -9.2541 -9.2541 -9.1639 -9.1639 -9.1309 -9.1309 -9.0072 -9.0072 -8.9576 -8.9576 -8.8366 -8.8366 -8.7962 -8.7962 4.2779 4.2779 4.5709 4.5709 4.8521 4.8521 4.8952 4.8952 4.9403 4.9403 5.3595 5.3595 k = 0.2188 0.7096 1.4913 ( 5794 PWs) bands (ev): -25.1845 -25.1845 -25.1800 -25.1800 -25.1370 -25.1370 -25.1322 -25.1322 -10.0612 -10.0612 -10.0349 -10.0349 -9.9765 -9.9765 -9.9556 -9.9556 -9.3182 -9.3182 -9.2543 -9.2543 -9.1645 -9.1645 -9.1319 -9.1319 -9.0067 -9.0067 -8.9584 -8.9584 -8.8349 -8.8349 -8.7973 -8.7973 4.2958 4.2958 4.5701 4.5701 4.8218 4.8218 4.8824 4.8824 4.9714 4.9714 5.3420 5.3420 k = 0.2500 0.7247 1.4779 ( 5790 PWs) bands (ev): -25.1843 -25.1843 -25.1804 -25.1804 -25.1365 -25.1365 -25.1323 -25.1323 -10.0606 -10.0606 -10.0366 -10.0366 -9.9758 -9.9758 -9.9568 -9.9568 -9.3182 -9.3182 -9.2544 -9.2544 -9.1649 -9.1649 -9.1330 -9.1330 -9.0061 -9.0061 -8.9593 -8.9593 -8.8331 -8.8331 -8.7986 -8.7986 4.3154 4.3154 4.5698 4.5698 4.7916 4.7916 4.8660 4.8660 5.0026 5.0026 5.3263 5.3263 k = 0.2812 0.7398 1.4644 ( 5791 PWs) bands (ev): -25.1841 -25.1841 -25.1807 -25.1807 -25.1360 -25.1360 -25.1324 -25.1324 -10.0601 -10.0601 -10.0383 -10.0383 -9.9751 -9.9751 -9.9580 -9.9580 -9.3183 -9.3183 -9.2544 -9.2544 -9.1652 -9.1652 -9.1341 -9.1341 -9.0056 -9.0056 -8.9602 -8.9602 -8.8311 -8.8311 -8.7999 -8.7999 4.3367 4.3367 4.5699 4.5699 4.7623 4.7623 4.8465 4.8465 5.0334 5.0334 5.3119 5.3119 k = 0.3125 0.7549 1.4509 ( 5781 PWs) bands (ev): -25.1839 -25.1839 -25.1811 -25.1811 -25.1355 -25.1355 -25.1324 -25.1324 -10.0595 -10.0595 -10.0400 -10.0400 -9.9743 -9.9743 -9.9593 -9.9593 -9.3184 -9.3184 -9.2544 -9.2544 -9.1654 -9.1654 -9.1353 -9.1353 -9.0052 -9.0052 -8.9610 -8.9610 -8.8290 -8.8290 -8.8013 -8.8013 4.3595 4.3595 4.5702 4.5702 4.7347 4.7347 4.8246 4.8246 5.0634 5.0634 5.2983 5.2983 k = 0.3438 0.7701 1.4375 ( 5775 PWs) bands (ev): -25.1836 -25.1836 -25.1814 -25.1814 -25.1350 -25.1350 -25.1325 -25.1325 -10.0589 -10.0589 -10.0415 -10.0415 -9.9734 -9.9734 -9.9607 -9.9607 -9.3185 -9.3185 -9.2543 -9.2543 -9.1655 -9.1655 -9.1364 -9.1364 -9.0049 -9.0049 -8.9618 -8.9618 -8.8270 -8.8270 -8.8028 -8.8028 4.3835 4.3835 4.5698 4.5698 4.7098 4.7098 4.8010 4.8010 5.0922 5.0922 5.2849 5.2849 k = 0.3750 0.7852 1.4240 ( 5780 PWs) bands (ev): -25.1835 -25.1835 -25.1817 -25.1817 -25.1345 -25.1345 -25.1326 -25.1326 -10.0585 -10.0585 -10.0430 -10.0430 -9.9724 -9.9724 -9.9621 -9.9621 -9.3188 -9.3188 -9.2541 -9.2541 -9.1655 -9.1655 -9.1375 -9.1375 -9.0049 -9.0049 -8.9625 -8.9625 -8.8250 -8.8250 -8.8041 -8.8041 4.4087 4.4087 4.5673 4.5673 4.6895 4.6895 4.7765 4.7765 5.1195 5.1195 5.2713 5.2713 k = 0.4062 0.8003 1.4105 ( 5779 PWs) bands (ev): -25.1833 -25.1833 -25.1820 -25.1820 -25.1340 -25.1340 -25.1327 -25.1327 -10.0582 -10.0582 -10.0442 -10.0442 -9.9713 -9.9713 -9.9635 -9.9635 -9.3191 -9.3191 -9.2539 -9.2539 -9.1655 -9.1655 -9.1383 -9.1383 -9.0051 -9.0051 -8.9631 -8.9631 -8.8232 -8.8232 -8.8053 -8.8053 4.4348 4.4348 4.5609 4.5609 4.6758 4.6758 4.7517 4.7517 5.1452 5.1452 5.2572 5.2572 k = 0.4375 0.8154 1.3971 ( 5779 PWs) bands (ev): -25.1831 -25.1831 -25.1823 -25.1823 -25.1336 -25.1336 -25.1327 -25.1327 -10.0582 -10.0582 -10.0451 -10.0451 -9.9702 -9.9702 -9.9649 -9.9649 -9.3195 -9.3195 -9.2536 -9.2536 -9.1655 -9.1655 -9.1389 -9.1389 -9.0058 -9.0058 -8.9634 -8.9634 -8.8217 -8.8217 -8.8061 -8.8061 4.4615 4.4615 4.5495 4.5495 4.6702 4.6702 4.7270 4.7270 5.1690 5.1690 5.2425 5.2425 k = 0.4688 0.8306 1.3836 ( 5784 PWs) bands (ev): -25.1830 -25.1830 -25.1826 -25.1826 -25.1332 -25.1332 -25.1328 -25.1328 -10.0585 -10.0585 -10.0458 -10.0458 -9.9691 -9.9691 -9.9663 -9.9663 -9.3199 -9.3199 -9.2532 -9.2532 -9.1655 -9.1655 -9.1392 -9.1392 -9.0067 -9.0067 -8.9636 -8.9636 -8.8209 -8.8209 -8.8064 -8.8064 4.4884 4.4884 4.5336 4.5336 4.6720 4.6720 4.7030 4.7030 5.1910 5.1910 5.2272 5.2272 k = 0.5000 0.8457 1.3701 ( 5778 PWs) bands (ev): -25.1830 -25.1830 -25.1828 -25.1828 -25.1329 -25.1329 -25.1327 -25.1327 -10.0590 -10.0590 -10.0462 -10.0462 -9.9685 -9.9685 -9.9671 -9.9671 -9.3204 -9.3204 -9.2529 -9.2529 -9.1656 -9.1656 -9.1392 -9.1392 -9.0081 -9.0081 -8.9635 -8.9635 -8.8207 -8.8207 -8.8059 -8.8059 4.5143 4.5143 4.5158 4.5158 4.6778 4.6778 4.6824 4.6824 5.2101 5.2101 5.2121 5.2121 k = 0.5000 0.8457 1.3701 ( 5778 PWs) bands (ev): -25.1830 -25.1830 -25.1828 -25.1828 -25.1329 -25.1329 -25.1327 -25.1327 -10.0590 -10.0590 -10.0462 -10.0462 -9.9685 -9.9685 -9.9671 -9.9671 -9.3204 -9.3204 -9.2529 -9.2529 -9.1656 -9.1656 -9.1392 -9.1392 -9.0081 -9.0081 -8.9635 -8.9635 -8.8207 -8.8207 -8.8059 -8.8059 4.5143 4.5143 4.5158 4.5158 4.6778 4.6778 4.6824 4.6824 5.2101 5.2101 5.2121 5.2121 k = 0.5000 0.8326 1.3357 ( 5782 PWs) bands (ev): -25.1834 -25.1834 -25.1832 -25.1832 -25.1321 -25.1321 -25.1319 -25.1319 -10.0623 -10.0623 -10.0472 -10.0472 -9.9696 -9.9696 -9.9659 -9.9659 -9.3230 -9.3230 -9.2510 -9.2510 -9.1656 -9.1656 -9.1382 -9.1382 -9.0159 -9.0159 -8.9626 -8.9626 -8.8219 -8.8219 -8.8018 -8.8018 4.5117 4.5117 4.5131 4.5131 4.6637 4.6637 4.6719 4.6719 5.2186 5.2186 5.2209 5.2209 k = 0.5000 0.8195 1.3014 ( 5778 PWs) bands (ev): -25.1839 -25.1839 -25.1838 -25.1838 -25.1313 -25.1313 -25.1311 -25.1311 -10.0652 -10.0652 -10.0480 -10.0480 -9.9701 -9.9701 -9.9641 -9.9641 -9.3252 -9.3252 -9.2491 -9.2491 -9.1646 -9.1646 -9.1368 -9.1368 -9.0237 -9.0237 -8.9617 -8.9617 -8.8228 -8.8228 -8.7978 -8.7978 4.4698 4.4698 4.4717 4.4717 4.6847 4.6847 4.6938 4.6938 5.2295 5.2295 5.2326 5.2326 k = 0.5000 0.8064 1.2670 ( 5782 PWs) bands (ev): -25.1846 -25.1846 -25.1844 -25.1844 -25.1306 -25.1306 -25.1305 -25.1305 -10.0677 -10.0677 -10.0486 -10.0486 -9.9697 -9.9697 -9.9617 -9.9617 -9.3271 -9.3271 -9.2473 -9.2473 -9.1626 -9.1626 -9.1351 -9.1351 -9.0316 -9.0316 -8.9608 -8.9608 -8.8237 -8.8237 -8.7940 -8.7940 4.4092 4.4092 4.4106 4.4106 4.7209 4.7209 4.7299 4.7299 5.2430 5.2430 5.2470 5.2470 k = 0.5000 0.7933 1.2326 ( 5774 PWs) bands (ev): -25.1853 -25.1853 -25.1851 -25.1851 -25.1300 -25.1300 -25.1298 -25.1298 -10.0698 -10.0698 -10.0489 -10.0489 -9.9686 -9.9686 -9.9587 -9.9587 -9.3286 -9.3286 -9.2455 -9.2455 -9.1597 -9.1597 -9.1330 -9.1330 -9.0394 -9.0394 -8.9599 -8.9599 -8.8243 -8.8243 -8.7902 -8.7902 4.3405 4.3405 4.3414 4.3414 4.7615 4.7615 4.7702 4.7702 5.2590 5.2590 5.2642 5.2642 k = 0.5000 0.7803 1.1983 ( 5774 PWs) bands (ev): -25.1862 -25.1862 -25.1860 -25.1860 -25.1295 -25.1295 -25.1293 -25.1293 -10.0716 -10.0716 -10.0491 -10.0491 -9.9667 -9.9667 -9.9550 -9.9550 -9.3297 -9.3297 -9.2436 -9.2436 -9.1559 -9.1559 -9.1306 -9.1306 -9.0472 -9.0472 -8.9589 -8.9589 -8.8249 -8.8249 -8.7866 -8.7866 4.2674 4.2674 4.2679 4.2679 4.8034 4.8034 4.8119 4.8119 5.2773 5.2773 5.2837 5.2837 k = 0.5000 0.7672 1.1639 ( 5766 PWs) bands (ev): -25.1871 -25.1871 -25.1869 -25.1869 -25.1290 -25.1290 -25.1289 -25.1289 -10.0730 -10.0730 -10.0490 -10.0490 -9.9641 -9.9641 -9.9506 -9.9506 -9.3306 -9.3306 -9.2417 -9.2417 -9.1513 -9.1513 -9.1279 -9.1279 -9.0548 -9.0548 -8.9578 -8.9578 -8.8252 -8.8252 -8.7831 -8.7831 4.1916 4.1916 4.1919 4.1919 4.8454 4.8454 4.8537 4.8537 5.2975 5.2975 5.3052 5.3052 k = 0.5000 0.7541 1.1295 ( 5764 PWs) bands (ev): -25.1881 -25.1881 -25.1879 -25.1879 -25.1287 -25.1287 -25.1285 -25.1285 -10.0740 -10.0740 -10.0487 -10.0487 -9.9607 -9.9607 -9.9457 -9.9457 -9.3311 -9.3311 -9.2397 -9.2397 -9.1460 -9.1460 -9.1248 -9.1248 -9.0623 -9.0623 -8.9568 -8.9568 -8.8254 -8.8254 -8.7798 -8.7798 4.1139 4.1139 4.1140 4.1140 4.8874 4.8874 4.8956 4.8956 5.3195 5.3195 5.3282 5.3282 k = 0.5000 0.7410 1.0952 ( 5782 PWs) bands (ev): -25.1893 -25.1893 -25.1891 -25.1891 -25.1284 -25.1284 -25.1282 -25.1282 -10.0746 -10.0746 -10.0483 -10.0483 -9.9566 -9.9566 -9.9402 -9.9402 -9.3312 -9.3312 -9.2376 -9.2376 -9.1401 -9.1401 -9.1214 -9.1214 -9.0695 -9.0695 -8.9557 -8.9557 -8.8254 -8.8254 -8.7766 -8.7766 4.0349 4.0349 4.0349 4.0349 4.9292 4.9292 4.9373 4.9373 5.3425 5.3425 5.3522 5.3522 k = 0.5000 0.7279 1.0608 ( 5794 PWs) bands (ev): -25.1905 -25.1905 -25.1903 -25.1903 -25.1282 -25.1282 -25.1280 -25.1280 -10.0750 -10.0750 -10.0477 -10.0477 -9.9519 -9.9519 -9.9342 -9.9342 -9.3310 -9.3310 -9.2353 -9.2353 -9.1338 -9.1338 -9.1177 -9.1177 -9.0762 -9.0762 -8.9546 -8.9546 -8.8252 -8.8252 -8.7736 -8.7736 3.9550 3.9550 3.9551 3.9551 4.9708 4.9708 4.9789 4.9789 5.3662 5.3662 5.3765 5.3765 k = 0.5000 0.7148 1.0264 ( 5790 PWs) bands (ev): -25.1918 -25.1918 -25.1916 -25.1916 -25.1280 -25.1280 -25.1279 -25.1279 -10.0750 -10.0750 -10.0470 -10.0470 -9.9465 -9.9465 -9.9276 -9.9276 -9.3305 -9.3305 -9.2329 -9.2329 -9.1273 -9.1273 -9.1136 -9.1136 -9.0823 -9.0823 -8.9534 -8.9534 -8.8249 -8.8249 -8.7708 -8.7708 3.8745 3.8745 3.8746 3.8746 5.0122 5.0122 5.0204 5.0204 5.3897 5.3897 5.4003 5.4003 k = 0.5000 0.7017 0.9921 ( 5782 PWs) bands (ev): -25.1931 -25.1931 -25.1929 -25.1929 -25.1280 -25.1280 -25.1278 -25.1278 -10.0748 -10.0748 -10.0461 -10.0461 -9.9406 -9.9406 -9.9205 -9.9205 -9.3296 -9.3296 -9.2302 -9.2302 -9.1212 -9.1212 -9.1091 -9.1091 -9.0870 -9.0870 -8.9520 -8.9520 -8.8244 -8.8244 -8.7681 -8.7681 3.7938 3.7938 3.7939 3.7939 5.0535 5.0535 5.0619 5.0619 5.4121 5.4121 5.4226 5.4226 k = 0.5000 0.6887 0.9577 ( 5790 PWs) bands (ev): -25.1945 -25.1945 -25.1944 -25.1944 -25.1280 -25.1280 -25.1278 -25.1278 -10.0743 -10.0743 -10.0451 -10.0451 -9.9342 -9.9342 -9.9131 -9.9131 -9.3283 -9.3283 -9.2274 -9.2274 -9.1168 -9.1168 -9.1044 -9.1044 -9.0892 -9.0892 -8.9506 -8.9506 -8.8238 -8.8238 -8.7656 -8.7656 3.7130 3.7130 3.7132 3.7132 5.0946 5.0946 5.1033 5.1033 5.4324 5.4324 5.4423 5.4423 k = 0.5000 0.6756 0.9233 ( 5786 PWs) bands (ev): -25.1960 -25.1960 -25.1959 -25.1959 -25.1281 -25.1281 -25.1279 -25.1279 -10.0736 -10.0736 -10.0440 -10.0440 -9.9274 -9.9274 -9.9052 -9.9052 -9.3268 -9.3268 -9.2245 -9.2245 -9.1156 -9.1156 -9.0993 -9.0993 -9.0871 -9.0871 -8.9490 -8.9490 -8.8230 -8.8230 -8.7632 -8.7632 3.6324 3.6324 3.6326 3.6326 5.1352 5.1352 5.1444 5.1444 5.4497 5.4497 5.4583 5.4583 k = 0.5000 0.6625 0.8890 ( 5794 PWs) bands (ev): -25.1976 -25.1976 -25.1974 -25.1974 -25.1283 -25.1283 -25.1281 -25.1281 -10.0728 -10.0728 -10.0429 -10.0429 -9.9202 -9.9202 -9.8971 -9.8971 -9.3249 -9.3249 -9.2216 -9.2216 -9.1173 -9.1173 -9.0940 -9.0940 -9.0812 -9.0812 -8.9471 -8.9471 -8.8221 -8.8221 -8.7610 -8.7610 3.5522 3.5522 3.5523 3.5523 5.1749 5.1749 5.1847 5.1847 5.4630 5.4630 5.4697 5.4697 k = 0.5000 0.6494 0.8546 ( 5790 PWs) bands (ev): -25.1992 -25.1992 -25.1990 -25.1990 -25.1285 -25.1285 -25.1283 -25.1283 -10.0718 -10.0718 -10.0417 -10.0417 -9.9126 -9.9126 -9.8887 -9.8887 -9.3226 -9.3226 -9.2188 -9.2188 -9.1200 -9.1200 -9.0883 -9.0883 -9.0730 -9.0730 -8.9451 -8.9451 -8.8210 -8.8210 -8.7589 -8.7589 3.4724 3.4724 3.4726 3.4726 5.2130 5.2130 5.2235 5.2235 5.4720 5.4720 5.4761 5.4761 k = 0.5000 0.6363 0.8202 ( 5798 PWs) bands (ev): -25.2008 -25.2008 -25.2006 -25.2006 -25.1288 -25.1288 -25.1286 -25.1286 -10.0706 -10.0706 -10.0405 -10.0405 -9.9049 -9.9049 -9.8802 -9.8802 -9.3201 -9.3201 -9.2163 -9.2163 -9.1226 -9.1226 -9.0825 -9.0825 -9.0636 -9.0636 -8.9427 -8.9427 -8.8197 -8.8197 -8.7570 -8.7570 3.3934 3.3934 3.3936 3.3936 5.2478 5.2478 5.2593 5.2593 5.4775 5.4775 5.4785 5.4785 k = 0.5000 0.6232 0.7858 ( 5794 PWs) bands (ev): -25.2025 -25.2025 -25.2023 -25.2023 -25.1291 -25.1291 -25.1289 -25.1289 -10.0694 -10.0694 -10.0394 -10.0394 -9.8969 -9.8969 -9.8716 -9.8716 -9.3173 -9.3173 -9.2143 -9.2143 -9.1243 -9.1243 -9.0764 -9.0764 -9.0535 -9.0535 -8.9399 -8.9399 -8.8184 -8.8184 -8.7552 -8.7552 3.3152 3.3152 3.3154 3.3154 5.2770 5.2770 5.2894 5.2894 5.4795 5.4795 5.4818 5.4818 k = 0.5000 0.6101 0.7515 ( 5794 PWs) bands (ev): -25.2042 -25.2042 -25.2040 -25.2040 -25.1295 -25.1295 -25.1293 -25.1293 -10.0681 -10.0681 -10.0383 -10.0383 -9.8889 -9.8889 -9.8629 -9.8629 -9.3143 -9.3143 -9.2129 -9.2129 -9.1248 -9.1248 -9.0701 -9.0701 -9.0429 -9.0429 -8.9368 -8.9368 -8.8169 -8.8169 -8.7536 -8.7536 3.2381 3.2381 3.2382 3.2382 5.2969 5.2969 5.3097 5.3097 5.4836 5.4836 5.4889 5.4889 k = 0.5000 0.5971 0.7171 ( 5792 PWs) bands (ev): -25.2059 -25.2059 -25.2057 -25.2057 -25.1299 -25.1299 -25.1298 -25.1298 -10.0668 -10.0668 -10.0373 -10.0373 -9.8808 -9.8808 -9.8542 -9.8542 -9.3111 -9.3111 -9.2124 -9.2124 -9.1239 -9.1239 -9.0637 -9.0637 -9.0319 -9.0319 -8.9333 -8.9333 -8.8153 -8.8153 -8.7521 -8.7521 3.1621 3.1621 3.1622 3.1622 5.3039 5.3039 5.3159 5.3159 5.4955 5.4955 5.5025 5.5025 k = 0.5000 0.5840 0.6827 ( 5784 PWs) bands (ev): -25.2076 -25.2076 -25.2074 -25.2074 -25.1304 -25.1304 -25.1302 -25.1302 -10.0655 -10.0655 -10.0364 -10.0364 -9.8728 -9.8728 -9.8457 -9.8457 -9.3076 -9.3076 -9.2126 -9.2126 -9.1216 -9.1216 -9.0572 -9.0572 -9.0206 -9.0206 -8.9293 -8.9293 -8.8135 -8.8135 -8.7507 -8.7507 3.0874 3.0874 3.0876 3.0876 5.2979 5.2979 5.3080 5.3080 5.5155 5.5155 5.5233 5.5233 k = 0.5000 0.5709 0.6484 ( 5780 PWs) bands (ev): -25.2093 -25.2093 -25.2091 -25.2091 -25.1309 -25.1309 -25.1308 -25.1308 -10.0641 -10.0641 -10.0356 -10.0356 -9.8648 -9.8648 -9.8373 -9.8373 -9.3041 -9.3041 -9.2137 -9.2137 -9.1179 -9.1179 -9.0507 -9.0507 -9.0090 -9.0090 -8.9248 -8.9248 -8.8116 -8.8116 -8.7494 -8.7494 3.0143 3.0143 3.0144 3.0144 5.2816 5.2816 5.2896 5.2896 5.5396 5.5396 5.5483 5.5483 k = 0.5000 0.5578 0.6140 ( 5778 PWs) bands (ev): -25.2110 -25.2110 -25.2109 -25.2109 -25.1315 -25.1315 -25.1313 -25.1313 -10.0628 -10.0628 -10.0349 -10.0349 -9.8569 -9.8569 -9.8292 -9.8292 -9.3004 -9.3004 -9.2154 -9.2154 -9.1129 -9.1129 -9.0442 -9.0442 -8.9972 -8.9972 -8.9198 -8.9198 -8.8096 -8.8096 -8.7482 -8.7482 2.9428 2.9428 2.9429 2.9429 5.2584 5.2584 5.2647 5.2647 5.5629 5.5629 5.5733 5.5733 k = 0.5000 0.5447 0.5796 ( 5778 PWs) bands (ev): -25.2127 -25.2127 -25.2126 -25.2126 -25.1320 -25.1320 -25.1319 -25.1319 -10.0616 -10.0616 -10.0344 -10.0344 -9.8492 -9.8492 -9.8214 -9.8214 -9.2967 -9.2967 -9.2176 -9.2176 -9.1068 -9.1068 -9.0377 -9.0377 -8.9853 -8.9853 -8.9143 -8.9143 -8.8075 -8.8075 -8.7471 -8.7471 2.8731 2.8731 2.8732 2.8732 5.2309 5.2309 5.2358 5.2358 5.5811 5.5811 5.5939 5.5939 k = 0.5000 0.5316 0.5453 ( 5778 PWs) bands (ev): -25.2144 -25.2144 -25.2142 -25.2142 -25.1326 -25.1326 -25.1325 -25.1325 -10.0604 -10.0604 -10.0339 -10.0339 -9.8417 -9.8417 -9.8139 -9.8139 -9.2931 -9.2931 -9.2201 -9.2201 -9.0999 -9.0999 -9.0314 -9.0314 -8.9733 -8.9733 -8.9083 -8.9083 -8.8052 -8.8052 -8.7460 -8.7460 2.8053 2.8053 2.8054 2.8054 5.2008 5.2008 5.2046 5.2046 5.5903 5.5903 5.6057 5.6057 k = 0.5000 0.5185 0.5109 ( 5776 PWs) bands (ev): -25.2161 -25.2161 -25.2159 -25.2159 -25.1332 -25.1332 -25.1331 -25.1331 -10.0592 -10.0592 -10.0337 -10.0337 -9.8345 -9.8345 -9.8068 -9.8068 -9.2894 -9.2894 -9.2228 -9.2228 -9.0923 -9.0923 -9.0252 -9.0252 -8.9612 -8.9612 -8.9019 -8.9019 -8.8028 -8.8028 -8.7451 -8.7451 2.7398 2.7398 2.7399 2.7399 5.1691 5.1691 5.1722 5.1722 5.5874 5.5874 5.6044 5.6044 k = 0.5000 0.5055 0.4765 ( 5780 PWs) bands (ev): -25.2177 -25.2177 -25.2175 -25.2175 -25.1338 -25.1338 -25.1337 -25.1337 -10.0581 -10.0581 -10.0336 -10.0336 -9.8275 -9.8275 -9.8001 -9.8001 -9.2858 -9.2858 -9.2256 -9.2256 -9.0842 -9.0842 -9.0192 -9.0192 -8.9492 -8.9492 -8.8951 -8.8951 -8.8003 -8.8003 -8.7442 -8.7442 2.6765 2.6765 2.6766 2.6766 5.1366 5.1366 5.1391 5.1391 5.5714 5.5714 5.5883 5.5883 k = 0.5000 0.4924 0.4422 ( 5788 PWs) bands (ev): -25.2193 -25.2193 -25.2191 -25.2191 -25.1345 -25.1345 -25.1343 -25.1343 -10.0571 -10.0571 -10.0336 -10.0336 -9.8208 -9.8208 -9.7939 -9.7939 -9.2824 -9.2824 -9.2284 -9.2284 -9.0758 -9.0758 -9.0134 -9.0134 -8.9374 -8.9374 -8.8880 -8.8880 -8.7976 -8.7976 -8.7433 -8.7433 2.6157 2.6157 2.6158 2.6158 5.1039 5.1039 5.1059 5.1059 5.5439 5.5439 5.5594 5.5594 k = 0.5000 0.4793 0.4078 ( 5788 PWs) bands (ev): -25.2208 -25.2208 -25.2206 -25.2206 -25.1351 -25.1351 -25.1349 -25.1349 -10.0561 -10.0561 -10.0338 -10.0338 -9.8145 -9.8145 -9.7881 -9.7881 -9.2791 -9.2791 -9.2310 -9.2310 -9.0672 -9.0672 -9.0078 -9.0078 -8.9256 -8.9256 -8.8808 -8.8808 -8.7948 -8.7948 -8.7425 -8.7425 2.5575 2.5575 2.5576 2.5576 5.0714 5.0714 5.0731 5.0731 5.5080 5.5080 5.5214 5.5214 k = 0.5000 0.4662 0.3734 ( 5788 PWs) bands (ev): -25.2222 -25.2222 -25.2221 -25.2221 -25.1357 -25.1357 -25.1355 -25.1355 -10.0552 -10.0552 -10.0341 -10.0341 -9.8085 -9.8085 -9.7829 -9.7829 -9.2760 -9.2760 -9.2336 -9.2336 -9.0585 -9.0585 -9.0025 -9.0025 -8.9142 -8.9142 -8.8734 -8.8734 -8.7917 -8.7917 -8.7418 -8.7418 2.5022 2.5022 2.5023 2.5023 5.0395 5.0395 5.0409 5.0409 5.4668 5.4668 5.4781 5.4781 k = 0.5000 0.4531 0.3390 ( 5784 PWs) bands (ev): -25.2236 -25.2236 -25.2234 -25.2234 -25.1363 -25.1363 -25.1361 -25.1361 -10.0544 -10.0544 -10.0345 -10.0345 -9.8028 -9.8028 -9.7781 -9.7781 -9.2731 -9.2731 -9.2360 -9.2360 -9.0499 -9.0499 -8.9975 -8.9975 -8.9031 -8.9031 -8.8661 -8.8661 -8.7885 -8.7885 -8.7411 -8.7411 2.4498 2.4498 2.4499 2.4499 5.0085 5.0085 5.0097 5.0097 5.4227 5.4227 5.4322 5.4322 k = 0.5000 0.4400 0.3047 ( 5786 PWs) bands (ev): -25.2249 -25.2249 -25.2248 -25.2248 -25.1368 -25.1368 -25.1367 -25.1367 -10.0535 -10.0535 -10.0350 -10.0350 -9.7975 -9.7975 -9.7739 -9.7739 -9.2705 -9.2705 -9.2382 -9.2382 -9.0414 -9.0414 -8.9928 -8.9928 -8.8923 -8.8923 -8.8590 -8.8590 -8.7852 -8.7852 -8.7405 -8.7405 2.4005 2.4005 2.4006 2.4006 4.9785 4.9785 4.9795 4.9795 5.3779 5.3779 5.3858 5.3858 k = 0.5000 0.4270 0.2703 ( 5778 PWs) bands (ev): -25.2261 -25.2261 -25.2260 -25.2260 -25.1374 -25.1374 -25.1372 -25.1372 -10.0528 -10.0528 -10.0356 -10.0356 -9.7925 -9.7925 -9.7702 -9.7702 -9.2680 -9.2680 -9.2402 -9.2402 -9.0331 -9.0331 -8.9885 -8.9885 -8.8821 -8.8821 -8.8521 -8.8521 -8.7816 -8.7816 -8.7399 -8.7399 2.3545 2.3545 2.3546 2.3546 4.9498 4.9498 4.9507 4.9507 5.3337 5.3337 5.3403 5.3403 k = 0.5000 0.4139 0.2359 ( 5770 PWs) bands (ev): -25.2273 -25.2273 -25.2271 -25.2271 -25.1379 -25.1379 -25.1377 -25.1377 -10.0520 -10.0520 -10.0363 -10.0363 -9.7878 -9.7878 -9.7670 -9.7670 -9.2658 -9.2658 -9.2420 -9.2420 -9.0251 -9.0251 -8.9846 -8.9846 -8.8724 -8.8724 -8.8456 -8.8456 -8.7779 -8.7779 -8.7394 -8.7394 2.3120 2.3120 2.3121 2.3121 4.9226 4.9226 4.9234 4.9234 5.2913 5.2913 5.2968 5.2968 k = 0.5000 0.4008 0.2016 ( 5770 PWs) bands (ev): -25.2283 -25.2283 -25.2282 -25.2282 -25.1383 -25.1383 -25.1382 -25.1382 -10.0513 -10.0513 -10.0370 -10.0370 -9.7835 -9.7835 -9.7643 -9.7643 -9.2638 -9.2638 -9.2437 -9.2437 -9.0175 -9.0175 -8.9811 -8.9811 -8.8634 -8.8634 -8.8397 -8.8397 -8.7742 -8.7742 -8.7390 -8.7390 2.2730 2.2730 2.2731 2.2731 4.8971 4.8971 4.8977 4.8977 5.2514 5.2514 5.2560 5.2560 k = 0.5000 0.3877 0.1672 ( 5774 PWs) bands (ev): -25.2293 -25.2293 -25.2291 -25.2291 -25.1388 -25.1388 -25.1386 -25.1386 -10.0506 -10.0506 -10.0378 -10.0378 -9.7795 -9.7795 -9.7621 -9.7621 -9.2620 -9.2620 -9.2452 -9.2452 -9.0104 -9.0104 -8.9781 -8.9781 -8.8550 -8.8550 -8.8343 -8.8343 -8.7703 -8.7703 -8.7387 -8.7387 2.2378 2.2378 2.2379 2.2379 4.8735 4.8735 4.8740 4.8740 5.2148 5.2148 5.2186 5.2186 k = 0.5000 0.3746 0.1328 ( 5778 PWs) bands (ev): -25.2302 -25.2302 -25.2300 -25.2300 -25.1392 -25.1392 -25.1390 -25.1390 -10.0499 -10.0499 -10.0386 -10.0386 -9.7759 -9.7759 -9.7603 -9.7603 -9.2604 -9.2604 -9.2465 -9.2465 -9.0037 -9.0037 -8.9755 -8.9755 -8.8475 -8.8475 -8.8296 -8.8296 -8.7664 -8.7664 -8.7386 -8.7386 2.2064 2.2064 2.2065 2.2065 4.8520 4.8520 4.8524 4.8524 5.1818 5.1818 5.1850 5.1850 k = 0.5000 0.3615 0.0985 ( 5770 PWs) bands (ev): -25.2309 -25.2309 -25.2308 -25.2308 -25.1395 -25.1395 -25.1393 -25.1393 -10.0492 -10.0492 -10.0395 -10.0395 -9.7726 -9.7726 -9.7590 -9.7590 -9.2590 -9.2590 -9.2477 -9.2477 -8.9976 -8.9976 -8.9735 -8.9735 -8.8407 -8.8407 -8.8256 -8.8256 -8.7625 -8.7625 -8.7386 -8.7386 2.1789 2.1789 2.1790 2.1790 4.8328 4.8328 4.8331 4.8331 5.1529 5.1529 5.1555 5.1555 k = 0.5000 0.3484 0.0641 ( 5776 PWs) bands (ev): -25.2316 -25.2316 -25.2314 -25.2314 -25.1398 -25.1398 -25.1396 -25.1396 -10.0485 -10.0485 -10.0404 -10.0404 -9.7696 -9.7696 -9.7581 -9.7581 -9.2577 -9.2577 -9.2488 -9.2488 -8.9921 -8.9921 -8.9721 -8.9721 -8.8347 -8.8347 -8.8224 -8.8224 -8.7588 -8.7588 -8.7388 -8.7388 2.1555 2.1555 2.1556 2.1556 4.8160 4.8160 4.8163 4.8163 5.1283 5.1283 5.1303 5.1303 k = 0.5000 0.3354 0.0297 ( 5784 PWs) bands (ev): -25.2321 -25.2321 -25.2319 -25.2319 -25.1401 -25.1401 -25.1399 -25.1399 -10.0478 -10.0478 -10.0413 -10.0413 -9.7670 -9.7670 -9.7577 -9.7577 -9.2566 -9.2566 -9.2498 -9.2498 -8.9872 -8.9872 -8.9712 -8.9712 -8.8296 -8.8296 -8.8199 -8.8199 -8.7553 -8.7553 -8.7393 -8.7393 2.1362 2.1362 2.1363 2.1363 4.8020 4.8020 4.8022 4.8022 5.1080 5.1080 5.1095 5.1095 k = 0.5000 0.3223-0.0046 ( 5776 PWs) bands (ev): -25.2325 -25.2325 -25.2324 -25.2324 -25.1402 -25.1402 -25.1401 -25.1401 -10.0470 -10.0470 -10.0421 -10.0421 -9.7646 -9.7646 -9.7576 -9.7576 -9.2556 -9.2556 -9.2506 -9.2506 -8.9829 -8.9829 -8.9710 -8.9710 -8.8254 -8.8254 -8.8182 -8.8182 -8.7521 -8.7521 -8.7401 -8.7401 2.1211 2.1211 2.1212 2.1212 4.7909 4.7909 4.7910 4.7910 5.0922 5.0922 5.0933 5.0933 k = 0.5000 0.3092-0.0390 ( 5768 PWs) bands (ev): -25.2328 -25.2328 -25.2326 -25.2326 -25.1404 -25.1404 -25.1402 -25.1402 -10.0462 -10.0462 -10.0430 -10.0430 -9.7626 -9.7626 -9.7579 -9.7579 -9.2547 -9.2547 -9.2514 -9.2514 -8.9792 -8.9792 -8.9713 -8.9713 -8.8220 -8.8220 -8.8173 -8.8173 -8.7491 -8.7491 -8.7412 -8.7412 2.1103 2.1103 2.1104 2.1104 4.7828 4.7828 4.7829 4.7829 5.0810 5.0810 5.0817 5.0817 k = 0.5000 0.2961-0.0734 ( 5772 PWs) bands (ev): -25.2330 -25.2330 -25.2328 -25.2328 -25.1405 -25.1405 -25.1403 -25.1403 -10.0455 -10.0455 -10.0438 -10.0438 -9.7609 -9.7609 -9.7586 -9.7586 -9.2538 -9.2538 -9.2522 -9.2522 -8.9763 -8.9763 -8.9723 -8.9723 -8.8195 -8.8195 -8.8172 -8.8172 -8.7466 -8.7466 -8.7426 -8.7426 2.1038 2.1038 2.1039 2.1039 4.7779 4.7779 4.7780 4.7780 5.0743 5.0743 5.0747 5.0747 k = 0.5000 0.2830-0.1078 ( 5764 PWs) bands (ev): -25.2330 -25.2330 -25.2329 -25.2329 -25.1405 -25.1405 -25.1403 -25.1403 -10.0447 -10.0447 -10.0446 -10.0446 -9.7596 -9.7596 -9.7595 -9.7595 -9.2531 -9.2531 -9.2530 -9.2530 -8.9740 -8.9740 -8.9740 -8.9740 -8.8179 -8.8179 -8.8179 -8.8179 -8.7445 -8.7445 -8.7443 -8.7443 2.1016 2.1016 2.1017 2.1017 4.7763 4.7763 4.7763 4.7763 5.0721 5.0721 5.0722 5.0722 k = 0.5000 0.2830 1.4779 ( 5796 PWs) bands (ev): -25.1954 -25.1954 -25.1576 -25.1576 -25.1576 -25.1576 -25.1196 -25.1196 -10.0836 -10.0836 -10.0084 -10.0084 -10.0031 -10.0031 -9.9531 -9.9531 -9.3177 -9.3177 -9.2405 -9.2405 -9.1986 -9.1986 -9.1199 -9.1199 -9.0434 -9.0434 -8.9002 -8.9002 -8.8863 -8.8863 -8.7754 -8.7754 4.3906 4.3906 4.4679 4.4679 4.5193 4.5193 4.8870 4.8870 5.3498 5.3498 5.3952 5.3952 k = 0.4884 0.2764 1.4435 ( 5793 PWs) bands (ev): -25.1954 -25.1954 -25.1592 -25.1592 -25.1560 -25.1560 -25.1196 -25.1196 -10.0835 -10.0835 -10.0095 -10.0095 -10.0017 -10.0017 -9.9526 -9.9526 -9.3177 -9.3177 -9.2405 -9.2405 -9.1981 -9.1981 -9.1197 -9.1197 -9.0434 -9.0434 -8.9014 -8.9014 -8.8850 -8.8850 -8.7754 -8.7754 4.3560 4.3560 4.4645 4.4645 4.5498 4.5498 4.8889 4.8889 5.3477 5.3477 5.3944 5.3944 k = 0.4767 0.2698 1.4091 ( 5790 PWs) bands (ev): -25.1956 -25.1956 -25.1609 -25.1609 -25.1546 -25.1546 -25.1197 -25.1197 -10.0831 -10.0831 -10.0115 -10.0115 -9.9989 -9.9989 -9.9511 -9.9511 -9.3176 -9.3176 -9.2404 -9.2404 -9.1967 -9.1967 -9.1194 -9.1194 -9.0436 -9.0436 -8.9041 -8.9041 -8.8820 -8.8820 -8.7753 -8.7753 4.2880 4.2880 4.4561 4.4561 4.6039 4.6039 4.8946 4.8946 5.3413 5.3413 5.3964 5.3964 k = 0.4651 0.2633 1.3748 ( 5789 PWs) bands (ev): -25.1959 -25.1959 -25.1626 -25.1626 -25.1532 -25.1532 -25.1198 -25.1198 -10.0826 -10.0826 -10.0135 -10.0135 -9.9956 -9.9956 -9.9486 -9.9486 -9.3175 -9.3175 -9.2403 -9.2403 -9.1944 -9.1944 -9.1187 -9.1187 -9.0439 -9.0439 -8.9073 -8.9073 -8.8781 -8.8781 -8.7750 -8.7750 4.2098 4.2098 4.4428 4.4428 4.6586 4.6586 4.9039 4.9039 5.3322 5.3322 5.4043 5.4043 k = 0.4535 0.2567 1.3404 ( 5782 PWs) bands (ev): -25.1963 -25.1963 -25.1644 -25.1644 -25.1519 -25.1519 -25.1199 -25.1199 -10.0818 -10.0818 -10.0152 -10.0152 -9.9919 -9.9919 -9.9451 -9.9451 -9.3173 -9.3173 -9.2399 -9.2399 -9.1914 -9.1914 -9.1178 -9.1178 -9.0442 -9.0442 -8.9106 -8.9106 -8.8739 -8.8739 -8.7747 -8.7747 4.1265 4.1265 4.4248 4.4248 4.7095 4.7095 4.9161 4.9161 5.3232 5.3232 5.4169 5.4169 k = 0.4419 0.2501 1.3060 ( 5778 PWs) bands (ev): -25.1968 -25.1968 -25.1662 -25.1662 -25.1508 -25.1508 -25.1201 -25.1201 -10.0809 -10.0809 -10.0168 -10.0168 -9.9879 -9.9879 -9.9408 -9.9408 -9.3170 -9.3170 -9.2393 -9.2393 -9.1878 -9.1878 -9.1167 -9.1167 -9.0445 -9.0445 -8.9139 -8.9139 -8.8696 -8.8696 -8.7743 -8.7743 4.0397 4.0397 4.4025 4.4025 4.7553 4.7553 4.9305 4.9305 5.3160 5.3160 5.4323 5.4323 k = 0.4302 0.2435 1.2717 ( 5777 PWs) bands (ev): -25.1974 -25.1974 -25.1681 -25.1681 -25.1497 -25.1497 -25.1203 -25.1203 -10.0798 -10.0798 -10.0180 -10.0180 -9.9836 -9.9836 -9.9356 -9.9356 -9.3166 -9.3166 -9.2383 -9.2383 -9.1838 -9.1838 -9.1152 -9.1152 -9.0447 -9.0447 -8.9170 -8.9170 -8.8652 -8.8652 -8.7738 -8.7738 3.9504 3.9504 4.3763 4.3763 4.7959 4.7959 4.9460 4.9460 5.3114 5.3114 5.4486 5.4486 k = 0.4186 0.2369 1.2373 ( 5778 PWs) bands (ev): -25.1982 -25.1982 -25.1700 -25.1700 -25.1488 -25.1488 -25.1206 -25.1206 -10.0786 -10.0786 -10.0190 -10.0190 -9.9791 -9.9791 -9.9297 -9.9297 -9.3161 -9.3161 -9.2370 -9.2370 -9.1796 -9.1796 -9.1134 -9.1134 -9.0448 -9.0448 -8.9198 -8.9198 -8.8607 -8.8607 -8.7733 -8.7733 3.8593 3.8593 4.3468 4.3468 4.8312 4.8312 4.9616 4.9616 5.3090 5.3090 5.4645 5.4645 k = 0.4070 0.2304 1.2029 ( 5781 PWs) bands (ev): -25.1990 -25.1990 -25.1720 -25.1720 -25.1480 -25.1480 -25.1209 -25.1209 -10.0772 -10.0772 -10.0198 -10.0198 -9.9742 -9.9742 -9.9231 -9.9231 -9.3154 -9.3154 -9.2353 -9.2353 -9.1752 -9.1752 -9.1111 -9.1111 -9.0446 -9.0446 -8.9224 -8.9224 -8.8563 -8.8563 -8.7726 -8.7726 3.7668 3.7668 4.3143 4.3143 4.8607 4.8607 4.9770 4.9770 5.3077 5.3077 5.4795 5.4795 k = 0.3953 0.2238 1.1685 ( 5779 PWs) bands (ev): -25.2000 -25.2000 -25.1739 -25.1739 -25.1473 -25.1473 -25.1211 -25.1211 -10.0757 -10.0757 -10.0203 -10.0203 -9.9691 -9.9691 -9.9159 -9.9159 -9.3146 -9.3146 -9.2333 -9.2333 -9.1710 -9.1710 -9.1083 -9.1083 -9.0441 -9.0441 -8.9247 -8.9247 -8.8518 -8.8518 -8.7719 -8.7719 3.6734 3.6734 4.2794 4.2794 4.8826 4.8826 4.9933 4.9933 5.3054 5.3054 5.4948 5.4948 k = 0.3837 0.2172 1.1342 ( 5779 PWs) bands (ev): -25.2011 -25.2011 -25.1758 -25.1758 -25.1467 -25.1467 -25.1214 -25.1214 -10.0742 -10.0742 -10.0206 -10.0206 -9.9637 -9.9637 -9.9081 -9.9081 -9.3135 -9.3135 -9.2309 -9.2309 -9.1670 -9.1670 -9.1049 -9.1049 -9.0432 -9.0432 -8.9267 -8.9267 -8.8475 -8.8475 -8.7711 -8.7711 3.5795 3.5795 4.2423 4.2423 4.8938 4.8938 5.0127 5.0127 5.3010 5.3010 5.5134 5.5134 k = 0.3721 0.2106 1.0998 ( 5780 PWs) bands (ev): -25.2023 -25.2023 -25.1778 -25.1778 -25.1463 -25.1463 -25.1217 -25.1217 -10.0727 -10.0727 -10.0207 -10.0207 -9.9581 -9.9581 -9.8999 -9.8999 -9.3123 -9.3123 -9.2283 -9.2283 -9.1634 -9.1634 -9.1007 -9.1007 -9.0418 -9.0418 -8.9282 -8.9282 -8.8432 -8.8432 -8.7703 -8.7703 3.4854 3.4854 4.2034 4.2034 4.8920 4.8920 5.0367 5.0367 5.2946 5.2946 5.5372 5.5372 k = 0.3605 0.2040 1.0654 ( 5779 PWs) bands (ev): -25.2036 -25.2036 -25.1797 -25.1797 -25.1459 -25.1459 -25.1220 -25.1220 -10.0712 -10.0712 -10.0206 -10.0206 -9.9523 -9.9523 -9.8912 -9.8912 -9.3108 -9.3108 -9.2255 -9.2255 -9.1601 -9.1601 -9.0958 -9.0958 -9.0399 -9.0399 -8.9294 -8.9294 -8.8390 -8.8390 -8.7694 -8.7694 3.3914 3.3914 4.1631 4.1631 4.8775 4.8775 5.0641 5.0641 5.2886 5.2886 5.5663 5.5663 k = 0.3488 0.1975 1.0311 ( 5779 PWs) bands (ev): -25.2050 -25.2050 -25.1816 -25.1816 -25.1458 -25.1458 -25.1223 -25.1223 -10.0697 -10.0697 -10.0203 -10.0203 -9.9464 -9.9464 -9.8821 -9.8821 -9.3091 -9.3091 -9.2227 -9.2227 -9.1572 -9.1572 -9.0901 -9.0901 -9.0374 -9.0374 -8.9301 -8.9301 -8.8348 -8.8348 -8.7685 -8.7685 3.2978 3.2978 4.1217 4.1217 4.8516 4.8516 5.0923 5.0923 5.2861 5.2861 5.5969 5.5969 k = 0.3372 0.1909 0.9967 ( 5779 PWs) bands (ev): -25.2065 -25.2065 -25.1834 -25.1834 -25.1457 -25.1457 -25.1226 -25.1226 -10.0682 -10.0682 -10.0199 -10.0199 -9.9403 -9.9403 -9.8728 -9.8728 -9.3072 -9.3072 -9.2200 -9.2200 -9.1545 -9.1545 -9.0837 -9.0837 -9.0343 -9.0343 -8.9304 -8.9304 -8.8308 -8.8308 -8.7675 -8.7675 3.2049 3.2049 4.0793 4.0793 4.8159 4.8159 5.1183 5.1183 5.2903 5.2903 5.6184 5.6184 k = 0.3256 0.1843 0.9623 ( 5781 PWs) bands (ev): -25.2081 -25.2081 -25.1852 -25.1852 -25.1458 -25.1458 -25.1228 -25.1228 -10.0669 -10.0669 -10.0193 -10.0193 -9.9342 -9.9342 -9.8632 -9.8632 -9.3051 -9.3051 -9.2176 -9.2176 -9.1517 -9.1517 -9.0767 -9.0767 -9.0306 -9.0306 -8.9301 -8.9301 -8.8269 -8.8269 -8.7665 -8.7665 3.1129 3.1129 4.0362 4.0362 4.7723 4.7723 5.1389 5.1389 5.3041 5.3041 5.6313 5.6313 k = 0.3140 0.1777 0.9280 ( 5785 PWs) bands (ev): -25.2098 -25.2098 -25.1869 -25.1869 -25.1459 -25.1459 -25.1230 -25.1230 -10.0657 -10.0657 -10.0187 -10.0187 -9.9280 -9.9280 -9.8535 -9.8535 -9.3029 -9.3029 -9.2157 -9.2157 -9.1485 -9.1485 -9.0693 -9.0693 -9.0263 -9.0263 -8.9292 -8.9292 -8.8231 -8.8231 -8.7654 -8.7654 3.0220 3.0220 3.9926 3.9926 4.7225 4.7225 5.1523 5.1523 5.3284 5.3284 5.6416 5.6416 k = 0.3023 0.1711 0.8936 ( 5782 PWs) bands (ev): -25.2116 -25.2116 -25.1886 -25.1886 -25.1462 -25.1462 -25.1233 -25.1233 -10.0646 -10.0646 -10.0179 -10.0179 -9.9218 -9.9218 -9.8436 -9.8436 -9.3006 -9.3006 -9.2142 -9.2142 -9.1447 -9.1447 -9.0617 -9.0617 -9.0213 -9.0213 -8.9276 -8.9276 -8.8194 -8.8194 -8.7643 -8.7643 2.9325 2.9325 3.9487 3.9487 4.6680 4.6680 5.1588 5.1588 5.3615 5.3615 5.6512 5.6512 k = 0.2907 0.1645 0.8592 ( 5779 PWs) bands (ev): -25.2134 -25.2134 -25.1903 -25.1903 -25.1466 -25.1466 -25.1235 -25.1235 -10.0637 -10.0637 -10.0171 -10.0171 -9.9156 -9.9156 -9.8337 -9.8337 -9.2982 -9.2982 -9.2134 -9.2134 -9.1402 -9.1402 -9.0542 -9.0542 -9.0156 -9.0156 -8.9254 -8.9254 -8.8158 -8.8158 -8.7631 -8.7631 2.8445 2.8445 3.9046 3.9046 4.6104 4.6104 5.1599 5.1599 5.4003 5.4003 5.6609 5.6609 k = 0.2791 0.1580 0.8249 ( 5778 PWs) bands (ev): -25.2153 -25.2153 -25.1919 -25.1919 -25.1471 -25.1471 -25.1237 -25.1237 -10.0629 -10.0629 -10.0163 -10.0163 -9.9096 -9.9096 -9.8238 -9.8238 -9.2960 -9.2960 -9.2130 -9.2130 -9.1348 -9.1348 -9.0471 -9.0471 -9.0091 -9.0091 -8.9224 -8.9224 -8.8123 -8.8123 -8.7619 -8.7619 2.7582 2.7582 3.8604 3.8604 4.5506 4.5506 5.1566 5.1566 5.4419 5.4419 5.6719 5.6719 k = 0.2674 0.1514 0.7905 ( 5776 PWs) bands (ev): -25.2173 -25.2173 -25.1934 -25.1934 -25.1477 -25.1477 -25.1238 -25.1238 -10.0624 -10.0624 -10.0154 -10.0154 -9.9036 -9.9036 -9.8139 -9.8139 -9.2939 -9.2939 -9.2130 -9.2130 -9.1287 -9.1287 -9.0404 -9.0404 -9.0017 -9.0017 -8.9186 -8.9186 -8.8090 -8.8090 -8.7607 -8.7607 2.6738 2.6738 3.8162 3.8162 4.4898 4.4898 5.1494 5.1494 5.4834 5.4834 5.6853 5.6853 k = 0.2558 0.1448 0.7561 ( 5781 PWs) bands (ev): -25.2192 -25.2192 -25.1949 -25.1949 -25.1483 -25.1483 -25.1240 -25.1240 -10.0619 -10.0619 -10.0145 -10.0145 -9.8979 -9.8979 -9.8041 -9.8041 -9.2922 -9.2922 -9.2130 -9.2130 -9.1219 -9.1219 -9.0345 -9.0345 -8.9935 -8.9935 -8.9141 -8.9141 -8.8057 -8.8057 -8.7594 -8.7594 2.5916 2.5916 3.7722 3.7722 4.4287 4.4287 5.1383 5.1383 5.5220 5.5220 5.7026 5.7026 k = 0.2442 0.1382 0.7218 ( 5778 PWs) bands (ev): -25.2212 -25.2212 -25.1964 -25.1964 -25.1490 -25.1490 -25.1242 -25.1242 -10.0617 -10.0617 -10.0137 -10.0137 -9.8923 -9.8923 -9.7945 -9.7945 -9.2910 -9.2910 -9.2130 -9.2130 -9.1146 -9.1146 -9.0292 -9.0292 -8.9845 -8.9845 -8.9088 -8.9088 -8.8026 -8.8026 -8.7581 -8.7581 2.5116 2.5116 3.7284 3.7284 4.3679 4.3679 5.1232 5.1232 5.5548 5.5548 5.7242 5.7242 k = 0.2326 0.1316 0.6874 ( 5784 PWs) bands (ev): -25.2231 -25.2231 -25.1978 -25.1978 -25.1498 -25.1498 -25.1243 -25.1243 -10.0616 -10.0616 -10.0128 -10.0128 -9.8870 -9.8870 -9.7851 -9.7851 -9.2904 -9.2904 -9.2125 -9.2125 -9.1069 -9.1069 -9.0245 -9.0245 -8.9749 -8.9749 -8.9028 -8.9028 -8.7995 -8.7995 -8.7568 -8.7568 2.4340 2.4340 3.6850 3.6850 4.3080 4.3080 5.1043 5.1043 5.5803 5.5803 5.7470 5.7470 k = 0.2209 0.1251 0.6530 ( 5779 PWs) bands (ev): -25.2251 -25.2251 -25.1991 -25.1991 -25.1505 -25.1505 -25.1245 -25.1245 -10.0617 -10.0617 -10.0120 -10.0120 -9.8819 -9.8819 -9.7758 -9.7758 -9.2904 -9.2904 -9.2116 -9.2116 -9.0990 -9.0990 -9.0203 -9.0203 -8.9649 -8.9649 -8.8963 -8.8963 -8.7966 -8.7966 -8.7554 -8.7554 2.3590 2.3590 3.6420 3.6420 4.2495 4.2495 5.0816 5.0816 5.5993 5.5993 5.7619 5.7619 k = 0.2093 0.1185 0.6186 ( 5778 PWs) bands (ev): -25.2270 -25.2270 -25.2004 -25.2004 -25.1514 -25.1514 -25.1246 -25.1246 -10.0619 -10.0619 -10.0112 -10.0112 -9.8771 -9.8771 -9.7669 -9.7669 -9.2912 -9.2912 -9.2101 -9.2101 -9.0909 -9.0909 -9.0164 -9.0164 -8.9545 -8.9545 -8.8892 -8.8892 -8.7937 -8.7937 -8.7540 -8.7540 2.2868 2.2868 3.5996 3.5996 4.1928 4.1928 5.0556 5.0556 5.6137 5.6137 5.7612 5.7612 k = 0.1977 0.1119 0.5843 ( 5776 PWs) bands (ev): -25.2289 -25.2289 -25.2016 -25.2016 -25.1522 -25.1522 -25.1248 -25.1248 -10.0622 -10.0622 -10.0105 -10.0105 -9.8726 -9.8726 -9.7582 -9.7582 -9.2926 -9.2926 -9.2080 -9.2080 -9.0829 -9.0829 -9.0128 -9.0128 -8.9439 -8.9439 -8.8817 -8.8817 -8.7909 -8.7909 -8.7526 -8.7526 2.2175 2.2175 3.5579 3.5579 4.1381 4.1381 5.0267 5.0267 5.6252 5.6252 5.7469 5.7469 k = 0.1860 0.1053 0.5499 ( 5779 PWs) bands (ev): -25.2307 -25.2307 -25.2028 -25.2028 -25.1530 -25.1530 -25.1249 -25.1249 -10.0626 -10.0626 -10.0099 -10.0099 -9.8684 -9.8684 -9.7499 -9.7499 -9.2947 -9.2947 -9.2053 -9.2053 -9.0752 -9.0752 -9.0092 -9.0092 -8.9332 -8.9332 -8.8740 -8.8740 -8.7881 -8.7881 -8.7512 -8.7512 2.1512 2.1512 3.5170 3.5170 4.0859 4.0859 4.9957 4.9957 5.6349 5.6349 5.7240 5.7240 k = 0.1744 0.0987 0.5155 ( 5774 PWs) bands (ev): -25.2325 -25.2325 -25.2039 -25.2039 -25.1538 -25.1538 -25.1251 -25.1251 -10.0631 -10.0631 -10.0093 -10.0093 -9.8645 -9.8645 -9.7419 -9.7419 -9.2972 -9.2972 -9.2022 -9.2022 -9.0679 -9.0679 -9.0055 -9.0055 -8.9226 -8.9226 -8.8663 -8.8663 -8.7854 -8.7854 -8.7497 -8.7497 2.0881 2.0881 3.4772 3.4772 4.0362 4.0362 4.9632 4.9632 5.6432 5.6432 5.6967 5.6967 k = 0.1628 0.0921 0.4812 ( 5775 PWs) bands (ev): -25.2342 -25.2342 -25.2049 -25.2049 -25.1546 -25.1546 -25.1252 -25.1252 -10.0637 -10.0637 -10.0087 -10.0087 -9.8609 -9.8609 -9.7343 -9.7343 -9.3002 -9.3002 -9.1988 -9.1988 -9.0611 -9.0611 -9.0017 -9.0017 -8.9120 -8.9120 -8.8586 -8.8586 -8.7827 -8.7827 -8.7482 -8.7482 2.0284 2.0284 3.4385 3.4385 3.9893 3.9893 4.9299 4.9299 5.6470 5.6470 5.6703 5.6703 k = 0.1512 0.0856 0.4468 ( 5768 PWs) bands (ev): -25.2358 -25.2358 -25.2059 -25.2059 -25.1554 -25.1554 -25.1253 -25.1253 -10.0643 -10.0643 -10.0083 -10.0083 -9.8577 -9.8577 -9.7271 -9.7271 -9.3034 -9.3034 -9.1952 -9.1952 -9.0551 -9.0551 -8.9975 -8.9975 -8.9017 -8.9017 -8.8511 -8.8511 -8.7800 -8.7800 -8.7468 -8.7468 1.9721 1.9721 3.4011 3.4011 3.9453 3.9453 4.8964 4.8964 5.6265 5.6265 5.6663 5.6663 k = 0.1395 0.0790 0.4124 ( 5759 PWs) bands (ev): -25.2373 -25.2373 -25.2069 -25.2069 -25.1562 -25.1562 -25.1255 -25.1255 -10.0650 -10.0650 -10.0078 -10.0078 -9.8547 -9.8547 -9.7203 -9.7203 -9.3067 -9.3067 -9.1914 -9.1914 -9.0497 -9.0497 -8.9931 -8.9931 -8.8916 -8.8916 -8.8440 -8.8440 -8.7773 -8.7773 -8.7453 -8.7453 1.9194 1.9194 3.3654 3.3654 3.9044 3.9044 4.8634 4.8634 5.5941 5.5941 5.6732 5.6732 k = 0.1279 0.0724 0.3781 ( 5753 PWs) bands (ev): -25.2387 -25.2387 -25.2077 -25.2077 -25.1569 -25.1569 -25.1256 -25.1256 -10.0656 -10.0656 -10.0075 -10.0075 -9.8520 -9.8520 -9.7140 -9.7140 -9.3100 -9.3100 -9.1877 -9.1877 -9.0452 -9.0452 -8.9884 -8.9884 -8.8819 -8.8819 -8.8375 -8.8375 -8.7746 -8.7746 -8.7438 -8.7438 1.8705 1.8705 3.3314 3.3314 3.8666 3.8666 4.8315 4.8315 5.5606 5.5606 5.6811 5.6811 k = 0.1163 0.0658 0.3437 ( 5752 PWs) bands (ev): -25.2401 -25.2401 -25.2085 -25.2085 -25.1576 -25.1576 -25.1257 -25.1257 -10.0663 -10.0663 -10.0072 -10.0072 -9.8496 -9.8496 -9.7081 -9.7081 -9.3134 -9.3134 -9.1841 -9.1841 -9.0414 -9.0414 -8.9834 -8.9834 -8.8727 -8.8727 -8.8316 -8.8316 -8.7718 -8.7718 -8.7423 -8.7423 1.8253 1.8253 3.2995 3.2995 3.8319 3.8319 4.8010 4.8010 5.5276 5.5276 5.6893 5.6893 k = 0.1047 0.0592 0.3093 ( 5748 PWs) bands (ev): -25.2413 -25.2413 -25.2092 -25.2092 -25.1582 -25.1582 -25.1258 -25.1258 -10.0670 -10.0670 -10.0069 -10.0069 -9.8475 -9.8475 -9.7028 -9.7028 -9.3166 -9.3166 -9.1806 -9.1806 -9.0384 -9.0384 -8.9784 -8.9784 -8.8639 -8.8639 -8.8264 -8.8264 -8.7690 -8.7690 -8.7408 -8.7408 1.7842 1.7842 3.2699 3.2699 3.8005 3.8005 4.7725 4.7725 5.4958 5.4958 5.6974 5.6974 k = 0.0930 0.0527 0.2750 ( 5751 PWs) bands (ev): -25.2424 -25.2424 -25.2099 -25.2099 -25.1588 -25.1588 -25.1259 -25.1259 -10.0676 -10.0676 -10.0067 -10.0067 -9.8457 -9.8457 -9.6979 -9.6979 -9.3196 -9.3196 -9.1773 -9.1773 -9.0359 -9.0359 -8.9735 -8.9735 -8.8557 -8.8557 -8.8220 -8.8220 -8.7663 -8.7663 -8.7393 -8.7393 1.7470 1.7470 3.2427 3.2427 3.7724 3.7724 4.7461 4.7461 5.4659 5.4659 5.7052 5.7052 k = 0.0814 0.0461 0.2406 ( 5757 PWs) bands (ev): -25.2434 -25.2434 -25.2105 -25.2105 -25.1593 -25.1593 -25.1260 -25.1260 -10.0682 -10.0682 -10.0065 -10.0065 -9.8441 -9.8441 -9.6936 -9.6936 -9.3224 -9.3224 -9.1743 -9.1743 -9.0339 -9.0339 -8.9688 -8.9688 -8.8481 -8.8481 -8.8184 -8.8184 -8.7638 -8.7638 -8.7379 -8.7379 1.7140 1.7140 3.2181 3.2181 3.7475 3.7475 4.7223 4.7223 5.4384 5.4384 5.7126 5.7126 k = 0.0698 0.0395 0.2062 ( 5754 PWs) bands (ev): -25.2443 -25.2443 -25.2110 -25.2110 -25.1598 -25.1598 -25.1261 -25.1261 -10.0687 -10.0687 -10.0064 -10.0064 -9.8427 -9.8427 -9.6899 -9.6899 -9.3249 -9.3249 -9.1716 -9.1716 -9.0323 -9.0323 -8.9645 -8.9645 -8.8412 -8.8412 -8.8156 -8.8156 -8.7615 -8.7615 -8.7364 -8.7364 1.6853 1.6853 3.1965 3.1965 3.7259 3.7259 4.7013 4.7013 5.4137 5.4137 5.7195 5.7195 k = 0.0581 0.0329 0.1718 ( 5757 PWs) bands (ev): -25.2451 -25.2451 -25.2114 -25.2114 -25.1602 -25.1602 -25.1262 -25.1262 -10.0692 -10.0692 -10.0063 -10.0063 -9.8416 -9.8416 -9.6866 -9.6866 -9.3271 -9.3271 -9.1693 -9.1693 -9.0311 -9.0311 -8.9606 -8.9606 -8.8350 -8.8350 -8.8134 -8.8134 -8.7595 -8.7595 -8.7350 -8.7350 1.6608 1.6608 3.1778 3.1778 3.7076 3.7076 4.6832 4.6832 5.3923 5.3923 5.7256 5.7256 k = 0.0465 0.0263 0.1375 ( 5757 PWs) bands (ev): -25.2457 -25.2457 -25.2118 -25.2118 -25.1605 -25.1605 -25.1263 -25.1263 -10.0696 -10.0696 -10.0062 -10.0062 -9.8407 -9.8407 -9.6840 -9.6840 -9.3290 -9.3290 -9.1674 -9.1674 -9.0302 -9.0302 -8.9573 -8.9573 -8.8297 -8.8297 -8.8119 -8.8119 -8.7579 -8.7579 -8.7338 -8.7338 1.6407 1.6407 3.1624 3.1624 3.6926 3.6926 4.6682 4.6682 5.3743 5.3743 5.7309 5.7309 k = 0.0349 0.0197 0.1031 ( 5755 PWs) bands (ev): -25.2462 -25.2462 -25.2121 -25.2121 -25.1608 -25.1608 -25.1263 -25.1263 -10.0699 -10.0699 -10.0061 -10.0061 -9.8400 -9.8400 -9.6819 -9.6819 -9.3304 -9.3304 -9.1659 -9.1659 -9.0295 -9.0295 -8.9547 -8.9547 -8.8253 -8.8253 -8.8110 -8.8110 -8.7567 -8.7567 -8.7326 -8.7326 1.6250 1.6250 3.1502 3.1502 3.6809 3.6809 4.6564 4.6564 5.3601 5.3601 5.7352 5.7352 k = 0.0233 0.0132 0.0687 ( 5743 PWs) bands (ev): -25.2465 -25.2465 -25.2123 -25.2123 -25.1609 -25.1609 -25.1263 -25.1263 -10.0702 -10.0702 -10.0061 -10.0061 -9.8395 -9.8395 -9.6804 -9.6804 -9.3315 -9.3315 -9.1648 -9.1648 -9.0290 -9.0290 -8.9527 -8.9527 -8.8219 -8.8219 -8.8105 -8.8105 -8.7558 -8.7558 -8.7318 -8.7318 1.6138 1.6138 3.1415 3.1415 3.6726 3.6726 4.6480 4.6480 5.3499 5.3499 5.7384 5.7384 k = 0.0116 0.0066 0.0344 ( 5740 PWs) bands (ev): -25.2467 -25.2467 -25.2124 -25.2124 -25.1610 -25.1610 -25.1264 -25.1264 -10.0703 -10.0703 -10.0061 -10.0061 -9.8392 -9.8392 -9.6795 -9.6795 -9.3321 -9.3321 -9.1641 -9.1641 -9.0287 -9.0287 -8.9516 -8.9516 -8.8197 -8.8197 -8.8104 -8.8104 -8.7553 -8.7553 -8.7312 -8.7312 1.6070 1.6070 3.1362 3.1362 3.6676 3.6676 4.6429 4.6429 5.3437 5.3437 5.7403 5.7403 k = 0.0000 0.0000 0.0000 ( 5741 PWs) bands (ev): -25.2468 -25.2468 -25.2124 -25.2124 -25.1611 -25.1611 -25.1264 -25.1264 -10.0704 -10.0704 -10.0061 -10.0061 -9.8391 -9.8391 -9.6792 -9.6792 -9.3323 -9.3323 -9.1639 -9.1639 -9.0286 -9.0286 -8.9512 -8.9512 -8.8189 -8.8189 -8.8105 -8.8105 -8.7552 -8.7552 -8.7310 -8.7310 1.6048 1.6048 3.1344 3.1344 3.6659 3.6659 4.6412 4.6412 5.3416 5.3416 5.7409 5.7409 Writing output data file Rb.save init_run : 0.36s CPU 0.49s WALL ( 1 calls) electrons : 350.93s CPU 355.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 350.92s CPU 355.62s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 342 calls) cegterg : 315.02s CPU 317.67s WALL ( 566 calls) Called by sum_band: Called by *egterg: h_psi : 221.91s CPU 224.49s WALL ( 8825 calls) s_psi : 4.22s CPU 4.24s WALL ( 8825 calls) g_psi : 0.11s CPU 0.15s WALL ( 7917 calls) cdiaghg : 98.99s CPU 99.18s WALL ( 8259 calls) cegterg:over : 8.26s CPU 8.42s WALL ( 7917 calls) cegterg:upda : 4.54s CPU 4.56s WALL ( 7917 calls) cegterg:last : 2.54s CPU 2.65s WALL ( 1272 calls) cdiaghg:chol : 3.45s CPU 3.52s WALL ( 8259 calls) cdiaghg:inve : 1.32s CPU 1.39s WALL ( 8259 calls) cdiaghg:para : 6.41s CPU 6.35s WALL ( 16518 calls) Called by h_psi: h_psi:vloc : 211.23s CPU 213.88s WALL ( 8825 calls) h_psi:vnl : 10.54s CPU 10.47s WALL ( 8825 calls) add_vuspsi : 4.98s CPU 5.16s WALL ( 8825 calls) General routines calbec : 5.53s CPU 5.28s WALL ( 8825 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 202.88s CPU 205.54s WALL ( 728208 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.14s CPU 1.63s WALL ( 684 calls) Parallel routines fft_scatter : 116.30s CPU 118.23s WALL ( 728231 calls) PWSCF : 6m27.57s CPU 7m 0.16s WALL This run was terminated on: 9:12:17 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=