Program PWSCF v.5.1.1 starts on 28Oct2015 at 2: 5:54 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al2CdSe4.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 165 39 11 6817 780 120 Max 166 40 12 6819 802 123 Sum 7929 1881 545 327237 37923 5817 bravais-lattice index = 14 lattice parameter (alat) = 12.7173 a.u. unit-cell volume = 1199.6249 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.717257 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.633633 celldm(5)= -0.633633 celldm(6)= 0.267266 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.267266 0.963623 0.000000 ) a(3) = ( -0.633633 -0.481811 0.605282 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.277356 0.826061 ) b(2) = ( 0.000000 1.037751 0.826061 ) b(3) = ( 0.000000 0.000000 1.652121 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Cd 12.00 112.41100 Cd( 1.00) Se 6.00 78.96000 Se( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0000000 0.0211810), wk = 0.0036364 k( 3) = ( 0.0000000 0.0000000 0.0423621), wk = 0.0036364 k( 4) = ( 0.0000000 0.0000000 0.0635431), wk = 0.0036364 k( 5) = ( 0.0000000 0.0000000 0.0847242), wk = 0.0036364 k( 6) = ( 0.0000000 0.0000000 0.1059052), wk = 0.0036364 k( 7) = ( 0.0000000 0.0000000 0.1270862), wk = 0.0036364 k( 8) = ( 0.0000000 0.0000000 0.1482673), wk = 0.0036364 k( 9) = ( 0.0000000 0.0000000 0.1694483), wk = 0.0036364 k( 10) = ( 0.0000000 0.0000000 0.1906294), wk = 0.0036364 k( 11) = ( 0.0000000 0.0000000 0.2118104), wk = 0.0036364 k( 12) = ( 0.0000000 0.0000000 0.2329914), wk = 0.0036364 k( 13) = ( 0.0000000 0.0000000 0.2541725), wk = 0.0036364 k( 14) = ( 0.0000000 0.0000000 0.2753535), wk = 0.0036364 k( 15) = ( 0.0000000 0.0000000 0.2965346), wk = 0.0036364 k( 16) = ( 0.0000000 0.0000000 0.3177156), wk = 0.0036364 k( 17) = ( 0.0000000 0.0000000 0.3388967), wk = 0.0036364 k( 18) = ( 0.0000000 0.0000000 0.3600777), wk = 0.0036364 k( 19) = ( 0.0000000 0.0000000 0.3812587), wk = 0.0036364 k( 20) = ( 0.0000000 0.0000000 0.4024398), wk = 0.0036364 k( 21) = ( 0.0000000 0.0000000 0.4236208), wk = 0.0036364 k( 22) = ( 0.0000000 0.0000000 0.4448018), wk = 0.0036364 k( 23) = ( 0.0000000 0.0000000 0.4659829), wk = 0.0036364 k( 24) = ( 0.0000000 0.0000000 0.4871639), wk = 0.0036364 k( 25) = ( 0.0000000 0.0000000 0.5083450), wk = 0.0036364 k( 26) = ( 0.0000000 0.0000000 0.5295260), wk = 0.0036364 k( 27) = ( 0.0000000 0.0000000 0.5507070), wk = 0.0036364 k( 28) = ( 0.0000000 0.0000000 0.5718881), wk = 0.0036364 k( 29) = ( 0.0000000 0.0000000 0.5930691), wk = 0.0036364 k( 30) = ( 0.0000000 0.0000000 0.6142502), wk = 0.0036364 k( 31) = ( 0.0000000 0.0000000 0.6354312), wk = 0.0036364 k( 32) = ( 0.0000000 0.0000000 0.6566123), wk = 0.0036364 k( 33) = ( 0.0000000 0.0000000 0.6777933), wk = 0.0036364 k( 34) = ( 0.0000000 0.0000000 0.6989743), wk = 0.0036364 k( 35) = ( 0.0000000 0.0000000 0.7201554), wk = 0.0036364 k( 36) = ( 0.0000000 0.0000000 0.7413364), wk = 0.0036364 k( 37) = ( 0.0000000 0.0000000 0.7625174), wk = 0.0036364 k( 38) = ( 0.0000000 0.0000000 0.7836985), wk = 0.0036364 k( 39) = ( 0.0000000 0.0000000 0.8048795), wk = 0.0036364 k( 40) = ( 0.0000000 0.0000000 0.8260606), wk = 0.0036364 k( 41) = ( 0.0000000 0.0000000 0.8260606), wk = 0.0036364 k( 42) = ( -0.0120458 0.0158416 0.8260606), wk = 0.0036364 k( 43) = ( -0.0240917 0.0316831 0.8260606), wk = 0.0036364 k( 44) = ( -0.0361375 0.0475247 0.8260606), wk = 0.0036364 k( 45) = ( -0.0481834 0.0633662 0.8260606), wk = 0.0036364 k( 46) = ( -0.0602292 0.0792078 0.8260606), wk = 0.0036364 k( 47) = ( -0.0722750 0.0950494 0.8260606), wk = 0.0036364 k( 48) = ( -0.0843209 0.1108909 0.8260606), wk = 0.0036364 k( 49) = ( -0.0963667 0.1267325 0.8260606), wk = 0.0036364 k( 50) = ( -0.1084126 0.1425740 0.8260606), wk = 0.0036364 k( 51) = ( -0.1204584 0.1584156 0.8260606), wk = 0.0036364 k( 52) = ( -0.1325042 0.1742572 0.8260606), wk = 0.0036364 k( 53) = ( -0.1445501 0.1900987 0.8260606), wk = 0.0036364 k( 54) = ( -0.1445501 0.1900987 0.8260606), wk = 0.0036364 k( 55) = ( -0.1534363 0.2017851 0.8113794), wk = 0.0036364 k( 56) = ( -0.1623226 0.2134714 0.7966982), wk = 0.0036364 k( 57) = ( -0.1712088 0.2251578 0.7820171), wk = 0.0036364 k( 58) = ( -0.1800951 0.2368442 0.7673359), wk = 0.0036364 k( 59) = ( -0.1889813 0.2485305 0.7526548), wk = 0.0036364 k( 60) = ( -0.1978676 0.2602169 0.7379736), wk = 0.0036364 k( 61) = ( -0.2067538 0.2719032 0.7232925), wk = 0.0036364 k( 62) = ( -0.2156401 0.2835896 0.7086113), wk = 0.0036364 k( 63) = ( -0.2245263 0.2952759 0.6939301), wk = 0.0036364 k( 64) = ( -0.2334126 0.3069623 0.6792490), wk = 0.0036364 k( 65) = ( -0.2422988 0.3186487 0.6645678), wk = 0.0036364 k( 66) = ( -0.2511851 0.3303350 0.6498867), wk = 0.0036364 k( 67) = ( -0.2600713 0.3420214 0.6352055), wk = 0.0036364 k( 68) = ( -0.2689576 0.3537077 0.6205244), wk = 0.0036364 k( 69) = ( -0.2778438 0.3653941 0.6058432), wk = 0.0036364 k( 70) = ( -0.2867301 0.3770805 0.5911621), wk = 0.0036364 k( 71) = ( -0.2956163 0.3887668 0.5764809), wk = 0.0036364 k( 72) = ( -0.3045025 0.4004532 0.5617997), wk = 0.0036364 k( 73) = ( -0.3133888 0.4121395 0.5471186), wk = 0.0036364 k( 74) = ( -0.3222751 0.4238259 0.5324374), wk = 0.0036364 k( 75) = ( -0.3222751 0.4238259 0.5324374), wk = 0.0036364 k( 76) = ( -0.3133230 0.4120530 0.5176475), wk = 0.0036364 k( 77) = ( -0.3043709 0.4002800 0.5028576), wk = 0.0036364 k( 78) = ( -0.2954188 0.3885071 0.4880676), wk = 0.0036364 k( 79) = ( -0.2864667 0.3767341 0.4732777), wk = 0.0036364 k( 80) = ( -0.2775146 0.3649612 0.4584878), wk = 0.0036364 k( 81) = ( -0.2685625 0.3531883 0.4436978), wk = 0.0036364 k( 82) = ( -0.2596104 0.3414153 0.4289079), wk = 0.0036364 k( 83) = ( -0.2506584 0.3296424 0.4141180), wk = 0.0036364 k( 84) = ( -0.2417063 0.3178694 0.3993281), wk = 0.0036364 k( 85) = ( -0.2327542 0.3060965 0.3845381), wk = 0.0036364 k( 86) = ( -0.2238021 0.2943236 0.3697482), wk = 0.0036364 k( 87) = ( -0.2148500 0.2825506 0.3549583), wk = 0.0036364 k( 88) = ( -0.2058979 0.2707777 0.3401684), wk = 0.0036364 k( 89) = ( -0.1969459 0.2590047 0.3253784), wk = 0.0036364 k( 90) = ( -0.1879938 0.2472318 0.3105885), wk = 0.0036364 k( 91) = ( -0.1790417 0.2354588 0.2957986), wk = 0.0036364 k( 92) = ( -0.1700896 0.2236859 0.2810086), wk = 0.0036364 k( 93) = ( -0.1611375 0.2119129 0.2662187), wk = 0.0036364 k( 94) = ( -0.1521854 0.2001400 0.2514288), wk = 0.0036364 k( 95) = ( -0.1432334 0.1883671 0.2366388), wk = 0.0036364 k( 96) = ( -0.1342813 0.1765941 0.2218489), wk = 0.0036364 k( 97) = ( -0.1253292 0.1648212 0.2070590), wk = 0.0036364 k( 98) = ( -0.1163771 0.1530482 0.1922691), wk = 0.0036364 k( 99) = ( -0.1074250 0.1412753 0.1774791), wk = 0.0036364 k( 100) = ( -0.0984729 0.1295024 0.1626892), wk = 0.0036364 k( 101) = ( -0.0895208 0.1177294 0.1478993), wk = 0.0036364 k( 102) = ( -0.0805688 0.1059565 0.1331094), wk = 0.0036364 k( 103) = ( -0.0716167 0.0941835 0.1183194), wk = 0.0036364 k( 104) = ( -0.0626646 0.0824106 0.1035295), wk = 0.0036364 k( 105) = ( -0.0537125 0.0706377 0.0887396), wk = 0.0036364 k( 106) = ( -0.0447604 0.0588647 0.0739496), wk = 0.0036364 k( 107) = ( -0.0358083 0.0470918 0.0591597), wk = 0.0036364 k( 108) = ( -0.0268563 0.0353188 0.0443698), wk = 0.0036364 k( 109) = ( -0.0179042 0.0235459 0.0295799), wk = 0.0036364 k( 110) = ( -0.0089521 0.0117729 0.0147899), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 113) = ( 0.0166667 0.0126733 -0.0000000), wk = 0.0036364 k( 114) = ( 0.0333333 0.0253465 -0.0000000), wk = 0.0036364 k( 115) = ( 0.0500000 0.0380197 -0.0000000), wk = 0.0036364 k( 116) = ( 0.0666667 0.0506930 -0.0000000), wk = 0.0036364 k( 117) = ( 0.0833333 0.0633662 -0.0000000), wk = 0.0036364 k( 118) = ( 0.1000000 0.0760395 -0.0000000), wk = 0.0036364 k( 119) = ( 0.1166667 0.0887127 -0.0000000), wk = 0.0036364 k( 120) = ( 0.1333333 0.1013860 -0.0000000), wk = 0.0036364 k( 121) = ( 0.1500000 0.1140592 -0.0000000), wk = 0.0036364 k( 122) = ( 0.1666667 0.1267325 -0.0000000), wk = 0.0036364 k( 123) = ( 0.1833333 0.1394057 -0.0000000), wk = 0.0036364 k( 124) = ( 0.2000000 0.1520790 -0.0000000), wk = 0.0036364 k( 125) = ( 0.2166667 0.1647522 -0.0000000), wk = 0.0036364 k( 126) = ( 0.2333333 0.1774255 -0.0000000), wk = 0.0036364 k( 127) = ( 0.2500000 0.1900987 -0.0000000), wk = 0.0036364 k( 128) = ( 0.2666667 0.2027720 -0.0000000), wk = 0.0036364 k( 129) = ( 0.2833333 0.2154452 -0.0000000), wk = 0.0036364 k( 130) = ( 0.3000000 0.2281185 -0.0000000), wk = 0.0036364 k( 131) = ( 0.3166667 0.2407917 -0.0000000), wk = 0.0036364 k( 132) = ( 0.3333333 0.2534650 -0.0000000), wk = 0.0036364 k( 133) = ( 0.3500000 0.2661382 -0.0000000), wk = 0.0036364 k( 134) = ( 0.3666667 0.2788115 -0.0000000), wk = 0.0036364 k( 135) = ( 0.3833333 0.2914847 -0.0000000), wk = 0.0036364 k( 136) = ( 0.4000000 0.3041580 -0.0000000), wk = 0.0036364 k( 137) = ( 0.4166667 0.3168312 -0.0000000), wk = 0.0036364 k( 138) = ( 0.4333333 0.3295044 -0.0000000), wk = 0.0036364 k( 139) = ( 0.4500000 0.3421777 -0.0000000), wk = 0.0036364 k( 140) = ( 0.4666667 0.3548509 -0.0000000), wk = 0.0036364 k( 141) = ( 0.4833333 0.3675242 -0.0000000), wk = 0.0036364 k( 142) = ( 0.5000000 0.3801974 -0.0000000), wk = 0.0036364 k( 143) = ( 0.5000000 0.3801974 -0.0000000), wk = 0.0036364 k( 144) = ( 0.4911138 0.3918838 0.0146812), wk = 0.0036364 k( 145) = ( 0.4822275 0.4035702 0.0293623), wk = 0.0036364 k( 146) = ( 0.4733413 0.4152565 0.0440435), wk = 0.0036364 k( 147) = ( 0.4644550 0.4269429 0.0587246), wk = 0.0036364 k( 148) = ( 0.4555688 0.4386292 0.0734058), wk = 0.0036364 k( 149) = ( 0.4466825 0.4503156 0.0880870), wk = 0.0036364 k( 150) = ( 0.4377963 0.4620019 0.1027681), wk = 0.0036364 k( 151) = ( 0.4289100 0.4736883 0.1174493), wk = 0.0036364 k( 152) = ( 0.4200238 0.4853747 0.1321304), wk = 0.0036364 k( 153) = ( 0.4111375 0.4970610 0.1468116), wk = 0.0036364 k( 154) = ( 0.4022513 0.5087474 0.1614927), wk = 0.0036364 k( 155) = ( 0.3933650 0.5204337 0.1761739), wk = 0.0036364 k( 156) = ( 0.3844788 0.5321201 0.1908550), wk = 0.0036364 k( 157) = ( 0.3755925 0.5438065 0.2055362), wk = 0.0036364 k( 158) = ( 0.3667063 0.5554928 0.2202174), wk = 0.0036364 k( 159) = ( 0.3578200 0.5671792 0.2348985), wk = 0.0036364 k( 160) = ( 0.3489338 0.5788655 0.2495797), wk = 0.0036364 k( 161) = ( 0.3400475 0.5905519 0.2642608), wk = 0.0036364 k( 162) = ( 0.3311613 0.6022383 0.2789420), wk = 0.0036364 k( 163) = ( 0.3222751 0.6139246 0.2936231), wk = 0.0036364 k( 164) = ( 0.3222751 0.6139246 0.2936231), wk = 0.0036364 k( 165) = ( 0.3033177 0.6083335 0.3006471), wk = 0.0036364 k( 166) = ( 0.2843603 0.6027423 0.3076710), wk = 0.0036364 k( 167) = ( 0.2654030 0.5971512 0.3146950), wk = 0.0036364 k( 168) = ( 0.2464456 0.5915601 0.3217190), wk = 0.0036364 k( 169) = ( 0.2274883 0.5859689 0.3287429), wk = 0.0036364 k( 170) = ( 0.2085309 0.5803778 0.3357668), wk = 0.0036364 k( 171) = ( 0.1895736 0.5747867 0.3427908), wk = 0.0036364 k( 172) = ( 0.1706162 0.5691955 0.3498147), wk = 0.0036364 k( 173) = ( 0.1516589 0.5636044 0.3568387), wk = 0.0036364 k( 174) = ( 0.1327015 0.5580132 0.3638626), wk = 0.0036364 k( 175) = ( 0.1137441 0.5524221 0.3708866), wk = 0.0036364 k( 176) = ( 0.0947868 0.5468310 0.3779105), wk = 0.0036364 k( 177) = ( 0.0758294 0.5412398 0.3849345), wk = 0.0036364 k( 178) = ( 0.0568721 0.5356487 0.3919584), wk = 0.0036364 k( 179) = ( 0.0379147 0.5300575 0.3989824), wk = 0.0036364 k( 180) = ( 0.0189574 0.5244664 0.4060063), wk = 0.0036364 k( 181) = ( 0.0000000 0.5188753 0.4130303), wk = 0.0036364 k( 182) = ( 0.0000000 0.5188753 0.4130303), wk = 0.0036364 k( 183) = ( 0.0089286 0.5071332 0.4277814), wk = 0.0036364 k( 184) = ( 0.0178571 0.4953912 0.4425324), wk = 0.0036364 k( 185) = ( 0.0267857 0.4836492 0.4572835), wk = 0.0036364 k( 186) = ( 0.0357143 0.4719072 0.4720346), wk = 0.0036364 k( 187) = ( 0.0446429 0.4601652 0.4867857), wk = 0.0036364 k( 188) = ( 0.0535714 0.4484231 0.5015368), wk = 0.0036364 k( 189) = ( 0.0625000 0.4366811 0.5162879), wk = 0.0036364 k( 190) = ( 0.0714286 0.4249391 0.5310389), wk = 0.0036364 k( 191) = ( 0.0803571 0.4131971 0.5457900), wk = 0.0036364 k( 192) = ( 0.0892857 0.4014551 0.5605411), wk = 0.0036364 k( 193) = ( 0.0982143 0.3897130 0.5752922), wk = 0.0036364 k( 194) = ( 0.1071429 0.3779710 0.5900433), wk = 0.0036364 k( 195) = ( 0.1160714 0.3662290 0.6047943), wk = 0.0036364 k( 196) = ( 0.1250000 0.3544870 0.6195454), wk = 0.0036364 k( 197) = ( 0.1339286 0.3427450 0.6342965), wk = 0.0036364 k( 198) = ( 0.1428571 0.3310030 0.6490476), wk = 0.0036364 k( 199) = ( 0.1517857 0.3192609 0.6637987), wk = 0.0036364 k( 200) = ( 0.1607143 0.3075189 0.6785498), wk = 0.0036364 k( 201) = ( 0.1696429 0.2957769 0.6933008), wk = 0.0036364 k( 202) = ( 0.1785714 0.2840349 0.7080519), wk = 0.0036364 k( 203) = ( 0.1875000 0.2722929 0.7228030), wk = 0.0036364 k( 204) = ( 0.1964286 0.2605508 0.7375541), wk = 0.0036364 k( 205) = ( 0.2053571 0.2488088 0.7523052), wk = 0.0036364 k( 206) = ( 0.2142857 0.2370668 0.7670562), wk = 0.0036364 k( 207) = ( 0.2232143 0.2253248 0.7818073), wk = 0.0036364 k( 208) = ( 0.2321429 0.2135828 0.7965584), wk = 0.0036364 k( 209) = ( 0.2410714 0.2018407 0.8113095), wk = 0.0036364 k( 210) = ( 0.2500000 0.1900987 0.8260606), wk = 0.0036364 k( 211) = ( 0.2500000 0.1900987 0.8260606), wk = 0.0036364 k( 212) = ( 0.2631579 0.2001039 0.8134914), wk = 0.0036364 k( 213) = ( 0.2763158 0.2101091 0.8009222), wk = 0.0036364 k( 214) = ( 0.2894737 0.2201143 0.7883531), wk = 0.0036364 k( 215) = ( 0.3026316 0.2301195 0.7757839), wk = 0.0036364 k( 216) = ( 0.3157895 0.2401247 0.7632147), wk = 0.0036364 k( 217) = ( 0.3289474 0.2501299 0.7506455), wk = 0.0036364 k( 218) = ( 0.3421053 0.2601351 0.7380764), wk = 0.0036364 k( 219) = ( 0.3552632 0.2701403 0.7255072), wk = 0.0036364 k( 220) = ( 0.3684211 0.2801455 0.7129380), wk = 0.0036364 k( 221) = ( 0.3815789 0.2901507 0.7003689), wk = 0.0036364 k( 222) = ( 0.3947368 0.3001559 0.6877997), wk = 0.0036364 k( 223) = ( 0.4078947 0.3101611 0.6752305), wk = 0.0036364 k( 224) = ( 0.4210526 0.3201663 0.6626613), wk = 0.0036364 k( 225) = ( 0.4342105 0.3301715 0.6500922), wk = 0.0036364 k( 226) = ( 0.4473684 0.3401767 0.6375230), wk = 0.0036364 k( 227) = ( 0.4605263 0.3501819 0.6249538), wk = 0.0036364 k( 228) = ( 0.4736842 0.3601870 0.6123847), wk = 0.0036364 k( 229) = ( 0.4868421 0.3701922 0.5998155), wk = 0.0036364 k( 230) = ( 0.5000000 0.3801974 0.5872463), wk = 0.0036364 k( 231) = ( 0.5000000 0.3801974 0.5872463), wk = 0.0036364 k( 232) = ( 0.5000000 0.3801974 0.5662732), wk = 0.0036364 k( 233) = ( 0.5000000 0.3801974 0.5453001), wk = 0.0036364 k( 234) = ( 0.5000000 0.3801974 0.5243271), wk = 0.0036364 k( 235) = ( 0.5000000 0.3801974 0.5033540), wk = 0.0036364 k( 236) = ( 0.5000000 0.3801974 0.4823809), wk = 0.0036364 k( 237) = ( 0.5000000 0.3801974 0.4614078), wk = 0.0036364 k( 238) = ( 0.5000000 0.3801974 0.4404347), wk = 0.0036364 k( 239) = ( 0.5000000 0.3801974 0.4194616), wk = 0.0036364 k( 240) = ( 0.5000000 0.3801974 0.3984886), wk = 0.0036364 k( 241) = ( 0.5000000 0.3801974 0.3775155), wk = 0.0036364 k( 242) = ( 0.5000000 0.3801974 0.3565424), wk = 0.0036364 k( 243) = ( 0.5000000 0.3801974 0.3355693), wk = 0.0036364 k( 244) = ( 0.5000000 0.3801974 0.3145962), wk = 0.0036364 k( 245) = ( 0.5000000 0.3801974 0.2936231), wk = 0.0036364 k( 246) = ( 0.5000000 0.3801974 0.2726501), wk = 0.0036364 k( 247) = ( 0.5000000 0.3801974 0.2516770), wk = 0.0036364 k( 248) = ( 0.5000000 0.3801974 0.2307039), wk = 0.0036364 k( 249) = ( 0.5000000 0.3801974 0.2097308), wk = 0.0036364 k( 250) = ( 0.5000000 0.3801974 0.1887577), wk = 0.0036364 k( 251) = ( 0.5000000 0.3801974 0.1677847), wk = 0.0036364 k( 252) = ( 0.5000000 0.3801974 0.1468116), wk = 0.0036364 k( 253) = ( 0.5000000 0.3801974 0.1258385), wk = 0.0036364 k( 254) = ( 0.5000000 0.3801974 0.1048654), wk = 0.0036364 k( 255) = ( 0.5000000 0.3801974 0.0838923), wk = 0.0036364 k( 256) = ( 0.5000000 0.3801974 0.0629192), wk = 0.0036364 k( 257) = ( 0.5000000 0.3801974 0.0419462), wk = 0.0036364 k( 258) = ( 0.5000000 0.3801974 0.0209731), wk = 0.0036364 k( 259) = ( 0.5000000 0.3801974 -0.0000000), wk = 0.0036364 k( 260) = ( 0.0000000 0.0000000 0.8260606), wk = 0.0036364 k( 261) = ( 0.0166667 0.0126733 0.8260606), wk = 0.0036364 k( 262) = ( 0.0333333 0.0253465 0.8260606), wk = 0.0036364 k( 263) = ( 0.0500000 0.0380197 0.8260606), wk = 0.0036364 k( 264) = ( 0.0666667 0.0506930 0.8260606), wk = 0.0036364 k( 265) = ( 0.0833333 0.0633662 0.8260606), wk = 0.0036364 k( 266) = ( 0.1000000 0.0760395 0.8260606), wk = 0.0036364 k( 267) = ( 0.1166667 0.0887127 0.8260606), wk = 0.0036364 k( 268) = ( 0.1333333 0.1013860 0.8260606), wk = 0.0036364 k( 269) = ( 0.1500000 0.1140592 0.8260606), wk = 0.0036364 k( 270) = ( 0.1666667 0.1267325 0.8260606), wk = 0.0036364 k( 271) = ( 0.1833333 0.1394057 0.8260606), wk = 0.0036364 k( 272) = ( 0.2000000 0.1520790 0.8260606), wk = 0.0036364 k( 273) = ( 0.2166667 0.1647522 0.8260606), wk = 0.0036364 k( 274) = ( 0.2333333 0.1774255 0.8260606), wk = 0.0036364 k( 275) = ( 0.2500000 0.1900987 0.8260606), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0036364 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0036364 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036364 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0036364 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0036364 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036364 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0036364 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0036364 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036364 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0036364 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0036364 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0036364 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036364 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0036364 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036364 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0036364 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0036364 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036364 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0036364 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0036364 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036364 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0036364 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0036364 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036364 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0036364 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036364 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0036364 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0036364 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0036364 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036364 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0036364 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0036364 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036364 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0036364 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0036364 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036364 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0036364 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0036364 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 42) = ( -0.0120458 0.0120458 0.5000000), wk = 0.0036364 k( 43) = ( -0.0240917 0.0240917 0.5000000), wk = 0.0036364 k( 44) = ( -0.0361375 0.0361375 0.5000000), wk = 0.0036364 k( 45) = ( -0.0481834 0.0481834 0.5000000), wk = 0.0036364 k( 46) = ( -0.0602292 0.0602292 0.5000000), wk = 0.0036364 k( 47) = ( -0.0722750 0.0722750 0.5000000), wk = 0.0036364 k( 48) = ( -0.0843209 0.0843209 0.5000000), wk = 0.0036364 k( 49) = ( -0.0963667 0.0963667 0.5000000), wk = 0.0036364 k( 50) = ( -0.1084126 0.1084126 0.5000000), wk = 0.0036364 k( 51) = ( -0.1204584 0.1204584 0.5000000), wk = 0.0036364 k( 52) = ( -0.1325042 0.1325042 0.5000000), wk = 0.0036364 k( 53) = ( -0.1445501 0.1445501 0.5000000), wk = 0.0036364 k( 54) = ( -0.1445501 0.1445501 0.5000000), wk = 0.0036364 k( 55) = ( -0.1534363 0.1534363 0.4911137), wk = 0.0036364 k( 56) = ( -0.1623226 0.1623226 0.4822275), wk = 0.0036364 k( 57) = ( -0.1712088 0.1712088 0.4733413), wk = 0.0036364 k( 58) = ( -0.1800951 0.1800951 0.4644550), wk = 0.0036364 k( 59) = ( -0.1889813 0.1889813 0.4555688), wk = 0.0036364 k( 60) = ( -0.1978676 0.1978676 0.4466825), wk = 0.0036364 k( 61) = ( -0.2067538 0.2067538 0.4377963), wk = 0.0036364 k( 62) = ( -0.2156401 0.2156401 0.4289100), wk = 0.0036364 k( 63) = ( -0.2245263 0.2245263 0.4200238), wk = 0.0036364 k( 64) = ( -0.2334126 0.2334126 0.4111375), wk = 0.0036364 k( 65) = ( -0.2422988 0.2422988 0.4022513), wk = 0.0036364 k( 66) = ( -0.2511851 0.2511851 0.3933650), wk = 0.0036364 k( 67) = ( -0.2600713 0.2600713 0.3844788), wk = 0.0036364 k( 68) = ( -0.2689576 0.2689576 0.3755925), wk = 0.0036364 k( 69) = ( -0.2778438 0.2778438 0.3667063), wk = 0.0036364 k( 70) = ( -0.2867301 0.2867301 0.3578200), wk = 0.0036364 k( 71) = ( -0.2956163 0.2956163 0.3489338), wk = 0.0036364 k( 72) = ( -0.3045025 0.3045025 0.3400475), wk = 0.0036364 k( 73) = ( -0.3133888 0.3133888 0.3311613), wk = 0.0036364 k( 74) = ( -0.3222751 0.3222751 0.3222750), wk = 0.0036364 k( 75) = ( -0.3222751 0.3222751 0.3222750), wk = 0.0036364 k( 76) = ( -0.3133230 0.3133230 0.3133230), wk = 0.0036364 k( 77) = ( -0.3043709 0.3043709 0.3043709), wk = 0.0036364 k( 78) = ( -0.2954188 0.2954188 0.2954188), wk = 0.0036364 k( 79) = ( -0.2864667 0.2864667 0.2864667), wk = 0.0036364 k( 80) = ( -0.2775146 0.2775146 0.2775146), wk = 0.0036364 k( 81) = ( -0.2685625 0.2685625 0.2685625), wk = 0.0036364 k( 82) = ( -0.2596104 0.2596105 0.2596105), wk = 0.0036364 k( 83) = ( -0.2506584 0.2506584 0.2506584), wk = 0.0036364 k( 84) = ( -0.2417063 0.2417063 0.2417063), wk = 0.0036364 k( 85) = ( -0.2327542 0.2327542 0.2327542), wk = 0.0036364 k( 86) = ( -0.2238021 0.2238021 0.2238021), wk = 0.0036364 k( 87) = ( -0.2148500 0.2148500 0.2148500), wk = 0.0036364 k( 88) = ( -0.2058979 0.2058979 0.2058979), wk = 0.0036364 k( 89) = ( -0.1969459 0.1969459 0.1969459), wk = 0.0036364 k( 90) = ( -0.1879938 0.1879938 0.1879938), wk = 0.0036364 k( 91) = ( -0.1790417 0.1790417 0.1790417), wk = 0.0036364 k( 92) = ( -0.1700896 0.1700896 0.1700896), wk = 0.0036364 k( 93) = ( -0.1611375 0.1611375 0.1611375), wk = 0.0036364 k( 94) = ( -0.1521854 0.1521854 0.1521854), wk = 0.0036364 k( 95) = ( -0.1432334 0.1432333 0.1432334), wk = 0.0036364 k( 96) = ( -0.1342813 0.1342813 0.1342813), wk = 0.0036364 k( 97) = ( -0.1253292 0.1253292 0.1253292), wk = 0.0036364 k( 98) = ( -0.1163771 0.1163771 0.1163771), wk = 0.0036364 k( 99) = ( -0.1074250 0.1074250 0.1074250), wk = 0.0036364 k( 100) = ( -0.0984729 0.0984729 0.0984729), wk = 0.0036364 k( 101) = ( -0.0895208 0.0895208 0.0895209), wk = 0.0036364 k( 102) = ( -0.0805688 0.0805688 0.0805688), wk = 0.0036364 k( 103) = ( -0.0716167 0.0716167 0.0716167), wk = 0.0036364 k( 104) = ( -0.0626646 0.0626646 0.0626646), wk = 0.0036364 k( 105) = ( -0.0537125 0.0537125 0.0537125), wk = 0.0036364 k( 106) = ( -0.0447604 0.0447604 0.0447604), wk = 0.0036364 k( 107) = ( -0.0358083 0.0358083 0.0358083), wk = 0.0036364 k( 108) = ( -0.0268563 0.0268562 0.0268563), wk = 0.0036364 k( 109) = ( -0.0179042 0.0179042 0.0179042), wk = 0.0036364 k( 110) = ( -0.0089521 0.0089521 0.0089521), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 113) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0036364 k( 114) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0036364 k( 115) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036364 k( 116) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0036364 k( 117) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0036364 k( 118) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036364 k( 119) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0036364 k( 120) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0036364 k( 121) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036364 k( 122) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036364 k( 123) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0036364 k( 124) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036364 k( 125) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0036364 k( 126) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0036364 k( 127) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036364 k( 128) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0036364 k( 129) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0036364 k( 130) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036364 k( 131) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0036364 k( 132) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036364 k( 133) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036364 k( 134) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0036364 k( 135) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0036364 k( 136) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036364 k( 137) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0036364 k( 138) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0036364 k( 139) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036364 k( 140) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0036364 k( 141) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0036364 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 144) = ( 0.4911138 0.5088862 -0.4911137), wk = 0.0036364 k( 145) = ( 0.4822275 0.5177725 -0.4822275), wk = 0.0036364 k( 146) = ( 0.4733413 0.5266587 -0.4733413), wk = 0.0036364 k( 147) = ( 0.4644550 0.5355450 -0.4644550), wk = 0.0036364 k( 148) = ( 0.4555688 0.5444312 -0.4555688), wk = 0.0036364 k( 149) = ( 0.4466825 0.5533175 -0.4466825), wk = 0.0036364 k( 150) = ( 0.4377963 0.5622037 -0.4377963), wk = 0.0036364 k( 151) = ( 0.4289100 0.5710900 -0.4289100), wk = 0.0036364 k( 152) = ( 0.4200238 0.5799762 -0.4200238), wk = 0.0036364 k( 153) = ( 0.4111375 0.5888625 -0.4111375), wk = 0.0036364 k( 154) = ( 0.4022513 0.5977487 -0.4022513), wk = 0.0036364 k( 155) = ( 0.3933650 0.6066350 -0.3933650), wk = 0.0036364 k( 156) = ( 0.3844788 0.6155212 -0.3844788), wk = 0.0036364 k( 157) = ( 0.3755925 0.6244075 -0.3755925), wk = 0.0036364 k( 158) = ( 0.3667063 0.6332937 -0.3667063), wk = 0.0036364 k( 159) = ( 0.3578200 0.6421800 -0.3578200), wk = 0.0036364 k( 160) = ( 0.3489338 0.6510662 -0.3489338), wk = 0.0036364 k( 161) = ( 0.3400475 0.6599525 -0.3400475), wk = 0.0036364 k( 162) = ( 0.3311613 0.6688387 -0.3311613), wk = 0.0036364 k( 163) = ( 0.3222751 0.6777249 -0.3222751), wk = 0.0036364 k( 164) = ( 0.3222751 0.6777249 -0.3222751), wk = 0.0036364 k( 165) = ( 0.3033177 0.6672705 -0.3033177), wk = 0.0036364 k( 166) = ( 0.2843603 0.6568161 -0.2843603), wk = 0.0036364 k( 167) = ( 0.2654030 0.6463617 -0.2654030), wk = 0.0036364 k( 168) = ( 0.2464456 0.6359073 -0.2464456), wk = 0.0036364 k( 169) = ( 0.2274883 0.6254529 -0.2274883), wk = 0.0036364 k( 170) = ( 0.2085309 0.6149985 -0.2085309), wk = 0.0036364 k( 171) = ( 0.1895736 0.6045441 -0.1895736), wk = 0.0036364 k( 172) = ( 0.1706162 0.5940897 -0.1706162), wk = 0.0036364 k( 173) = ( 0.1516589 0.5836353 -0.1516589), wk = 0.0036364 k( 174) = ( 0.1327015 0.5731809 -0.1327015), wk = 0.0036364 k( 175) = ( 0.1137441 0.5627264 -0.1137441), wk = 0.0036364 k( 176) = ( 0.0947868 0.5522721 -0.0947868), wk = 0.0036364 k( 177) = ( 0.0758294 0.5418176 -0.0758294), wk = 0.0036364 k( 178) = ( 0.0568721 0.5313632 -0.0568721), wk = 0.0036364 k( 179) = ( 0.0379147 0.5209088 -0.0379147), wk = 0.0036364 k( 180) = ( 0.0189574 0.5104544 -0.0189574), wk = 0.0036364 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 182) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 183) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036364 k( 184) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036364 k( 185) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036364 k( 186) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036364 k( 187) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036364 k( 188) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036364 k( 189) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036364 k( 190) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036364 k( 191) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036364 k( 192) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036364 k( 193) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036364 k( 194) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036364 k( 195) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036364 k( 196) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036364 k( 197) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036364 k( 198) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036364 k( 199) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036364 k( 200) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036364 k( 201) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036364 k( 202) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036364 k( 203) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036364 k( 204) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036364 k( 205) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036364 k( 206) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036364 k( 207) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036364 k( 208) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036364 k( 209) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036364 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 212) = ( 0.2631579 0.2631579 0.2292342), wk = 0.0036364 k( 213) = ( 0.2763158 0.2763158 0.2084684), wk = 0.0036364 k( 214) = ( 0.2894737 0.2894737 0.1877026), wk = 0.0036364 k( 215) = ( 0.3026316 0.3026316 0.1669368), wk = 0.0036364 k( 216) = ( 0.3157895 0.3157895 0.1461710), wk = 0.0036364 k( 217) = ( 0.3289474 0.3289474 0.1254052), wk = 0.0036364 k( 218) = ( 0.3421053 0.3421053 0.1046394), wk = 0.0036364 k( 219) = ( 0.3552632 0.3552632 0.0838736), wk = 0.0036364 k( 220) = ( 0.3684211 0.3684211 0.0631078), wk = 0.0036364 k( 221) = ( 0.3815789 0.3815789 0.0423421), wk = 0.0036364 k( 222) = ( 0.3947368 0.3947368 0.0215763), wk = 0.0036364 k( 223) = ( 0.4078947 0.4078947 0.0008105), wk = 0.0036364 k( 224) = ( 0.4210526 0.4210526 -0.0199553), wk = 0.0036364 k( 225) = ( 0.4342105 0.4342105 -0.0407211), wk = 0.0036364 k( 226) = ( 0.4473684 0.4473684 -0.0614869), wk = 0.0036364 k( 227) = ( 0.4605263 0.4605263 -0.0822527), wk = 0.0036364 k( 228) = ( 0.4736842 0.4736842 -0.1030185), wk = 0.0036364 k( 229) = ( 0.4868421 0.4868421 -0.1237843), wk = 0.0036364 k( 230) = ( 0.5000000 0.5000000 -0.1445501), wk = 0.0036364 k( 231) = ( 0.5000000 0.5000000 -0.1445501), wk = 0.0036364 k( 232) = ( 0.5000000 0.5000000 -0.1572447), wk = 0.0036364 k( 233) = ( 0.5000000 0.5000000 -0.1699394), wk = 0.0036364 k( 234) = ( 0.5000000 0.5000000 -0.1826340), wk = 0.0036364 k( 235) = ( 0.5000000 0.5000000 -0.1953286), wk = 0.0036364 k( 236) = ( 0.5000000 0.5000000 -0.2080233), wk = 0.0036364 k( 237) = ( 0.5000000 0.5000000 -0.2207179), wk = 0.0036364 k( 238) = ( 0.5000000 0.5000000 -0.2334126), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 -0.2461072), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 -0.2588018), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 -0.2714965), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 -0.2841911), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 -0.2968858), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 -0.3095804), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 -0.3222750), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 -0.3349697), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 -0.3476643), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 -0.3603590), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 -0.3730536), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 -0.3857482), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 -0.3984429), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 -0.4111375), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 -0.4238322), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 -0.4365268), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 -0.4492214), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 -0.4619161), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 -0.4746107), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 -0.4873054), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 260) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 261) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036364 k( 262) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036364 k( 263) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036364 k( 264) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036364 k( 265) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036364 k( 266) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036364 k( 267) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036364 k( 268) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036364 k( 269) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036364 k( 270) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036364 k( 271) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036364 k( 272) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036364 k( 273) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036364 k( 274) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036364 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 Dense grid: 327237 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 37923 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 202, 50) NL pseudopotentials 0.20 Mb ( 101, 130) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.05 Mb ( 6818) G-vector shells 0.02 Mb ( 3103) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 202, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.20 Mb ( 130, 2, 50) The potential is recalculated from file : ./Al2CdSe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 46.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.9 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.4 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 62.8 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 68.1 secs Computing kpt #: 6 total cpu time spent up to now is 72.7 secs Computing kpt #: 7 total cpu time spent up to now is 77.3 secs Computing kpt #: 8 total cpu time spent up to now is 81.7 secs Computing kpt #: 9 total cpu time spent up to now is 85.4 secs Computing kpt #: 10 total cpu time spent up to now is 89.2 secs Computing kpt #: 11 total cpu time spent up to now is 92.5 secs Computing kpt #: 12 total cpu time spent up to now is 95.9 secs Computing kpt #: 13 total cpu time spent up to now is 99.3 secs Computing kpt #: 14 total cpu time spent up to now is 102.5 secs Computing kpt #: 15 total cpu time spent up to now is 105.7 secs Computing kpt #: 16 total cpu time spent up to now is 108.9 secs Computing kpt #: 17 total cpu time spent up to now is 111.9 secs Computing kpt #: 18 total cpu time spent up to now is 115.1 secs Computing kpt #: 19 total cpu time spent up to now is 118.4 secs Computing kpt #: 20 total cpu time spent up to now is 121.7 secs Computing kpt #: 21 total cpu time spent up to now is 125.1 secs Computing kpt #: 22 total cpu time spent up to now is 128.4 secs Computing kpt #: 23 total cpu time spent up to now is 131.7 secs Computing kpt #: 24 total cpu time spent up to now is 134.9 secs Computing kpt #: 25 total cpu time spent up to now is 140.0 secs Computing kpt #: 26 total cpu time spent up to now is 144.4 secs Computing kpt #: 27 total cpu time spent up to now is 147.8 secs Computing kpt #: 28 total cpu time spent up to now is 151.1 secs Computing kpt #: 29 total cpu time spent up to now is 154.3 secs Computing kpt #: 30 total cpu time spent up to now is 157.5 secs Computing kpt #: 31 total cpu time spent up to now is 160.7 secs Computing kpt #: 32 total cpu time spent up to now is 164.0 secs Computing kpt #: 33 total cpu time spent up to now is 167.2 secs Computing kpt #: 34 total cpu time spent up to now is 170.4 secs Computing kpt #: 35 total cpu time spent up to now is 173.7 secs Computing kpt #: 36 total cpu time spent up to now is 176.9 secs Computing kpt #: 37 total cpu time spent up to now is 180.2 secs Computing kpt #: 38 total cpu time spent up to now is 183.4 secs Computing kpt #: 39 total cpu time spent up to now is 186.6 secs Computing kpt #: 40 total cpu time spent up to now is 189.8 secs Computing kpt #: 41 total cpu time spent up to now is 193.0 secs Computing kpt #: 42 total cpu time spent up to now is 196.2 secs Computing kpt #: 43 total cpu time spent up to now is 199.5 secs Computing kpt #: 44 total cpu time spent up to now is 202.8 secs Computing kpt #: 45 total cpu time spent up to now is 206.1 secs Computing kpt #: 46 total cpu time spent up to now is 209.4 secs Computing kpt #: 47 total cpu time spent up to now is 212.8 secs Computing kpt #: 48 total cpu time spent up to now is 216.2 secs Computing kpt #: 49 total cpu time spent up to now is 219.5 secs Computing kpt #: 50 total cpu time spent up to now is 223.1 secs Computing kpt #: 51 total cpu time spent up to now is 226.7 secs Computing kpt #: 52 total cpu time spent up to now is 230.3 secs Computing kpt #: 53 total cpu time spent up to now is 233.8 secs Computing kpt #: 54 total cpu time spent up to now is 237.3 secs Computing kpt #: 55 total cpu time spent up to now is 240.8 secs Computing kpt #: 56 total cpu time spent up to now is 244.2 secs Computing kpt #: 57 total cpu time spent up to now is 247.5 secs Computing kpt #: 58 total cpu time spent up to now is 250.9 secs Computing kpt #: 59 total cpu time spent up to now is 254.0 secs Computing kpt #: 60 total cpu time spent up to now is 257.1 secs Computing kpt #: 61 total cpu time spent up to now is 260.2 secs Computing kpt #: 62 total cpu time spent up to now is 263.3 secs Computing kpt #: 63 total cpu time spent up to now is 266.3 secs Computing kpt #: 64 total cpu time spent up to now is 269.3 secs Computing kpt #: 65 total cpu time spent up to now is 272.5 secs Computing kpt #: 66 total cpu time spent up to now is 275.5 secs Computing kpt #: 67 total cpu time spent up to now is 278.5 secs Computing kpt #: 68 total cpu time spent up to now is 281.8 secs Computing kpt #: 69 total cpu time spent up to now is 284.8 secs Computing kpt #: 70 total cpu time spent up to now is 287.8 secs Computing kpt #: 71 total cpu time spent up to now is 290.9 secs Computing kpt #: 72 total cpu time spent up to now is 293.9 secs Computing kpt #: 73 total cpu time spent up to now is 297.0 secs Computing kpt #: 74 total cpu time spent up to now is 300.0 secs Computing kpt #: 75 total cpu time spent up to now is 303.1 secs Computing kpt #: 76 total cpu time spent up to now is 306.2 secs Computing kpt #: 77 total cpu time spent up to now is 309.2 secs Computing kpt #: 78 total cpu time spent up to now is 312.4 secs Computing kpt #: 79 total cpu time spent up to now is 315.7 secs Computing kpt #: 80 total cpu time spent up to now is 318.7 secs Computing kpt #: 81 total cpu time spent up to now is 321.9 secs Computing kpt #: 82 total cpu time spent up to now is 325.0 secs Computing kpt #: 83 total cpu time spent up to now is 328.0 secs Computing kpt #: 84 total cpu time spent up to now is 331.0 secs Computing kpt #: 85 total cpu time spent up to now is 334.4 secs Computing kpt #: 86 total cpu time spent up to now is 337.7 secs Computing kpt #: 87 total cpu time spent up to now is 341.1 secs Computing kpt #: 88 total cpu time spent up to now is 344.4 secs Computing kpt #: 89 total cpu time spent up to now is 347.8 secs Computing kpt #: 90 total cpu time spent up to now is 351.7 secs Computing kpt #: 91 total cpu time spent up to now is 355.1 secs Computing kpt #: 92 total cpu time spent up to now is 358.6 secs Computing kpt #: 93 total cpu time spent up to now is 362.0 secs Computing kpt #: 94 total cpu time spent up to now is 365.3 secs Computing kpt #: 95 total cpu time spent up to now is 368.6 secs Computing kpt #: 96 total cpu time spent up to now is 371.8 secs Computing kpt #: 97 total cpu time spent up to now is 375.0 secs Computing kpt #: 98 total cpu time spent up to now is 378.2 secs Computing kpt #: 99 total cpu time spent up to now is 381.4 secs Computing kpt #: 100 total cpu time spent up to now is 384.7 secs Computing kpt #: 101 total cpu time spent up to now is 388.0 secs Computing kpt #: 102 total cpu time spent up to now is 391.5 secs Computing kpt #: 103 total cpu time spent up to now is 395.4 secs Computing kpt #: 104 total cpu time spent up to now is 399.8 secs Computing kpt #: 105 total cpu time spent up to now is 404.8 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 410.1 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 415.6 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 420.9 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 426.4 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 431.9 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 437.9 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 444.9 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 450.6 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 456.0 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.3 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 466.6 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.0 secs Computing kpt #: 118 total cpu time spent up to now is 477.0 secs Computing kpt #: 119 total cpu time spent up to now is 480.5 secs Computing kpt #: 120 total cpu time spent up to now is 483.9 secs Computing kpt #: 121 total cpu time spent up to now is 487.3 secs Computing kpt #: 122 total cpu time spent up to now is 490.7 secs Computing kpt #: 123 total cpu time spent up to now is 494.3 secs Computing kpt #: 124 total cpu time spent up to now is 497.6 secs Computing kpt #: 125 total cpu time spent up to now is 501.0 secs Computing kpt #: 126 total cpu time spent up to now is 504.3 secs Computing kpt #: 127 total cpu time spent up to now is 508.5 secs Computing kpt #: 128 total cpu time spent up to now is 511.7 secs Computing kpt #: 129 total cpu time spent up to now is 515.1 secs Computing kpt #: 130 total cpu time spent up to now is 518.5 secs Computing kpt #: 131 total cpu time spent up to now is 521.8 secs Computing kpt #: 132 total cpu time spent up to now is 525.0 secs Computing kpt #: 133 total cpu time spent up to now is 528.1 secs Computing kpt #: 134 total cpu time spent up to now is 531.3 secs Computing kpt #: 135 total cpu time spent up to now is 534.6 secs Computing kpt #: 136 total cpu time spent up to now is 538.1 secs Computing kpt #: 137 total cpu time spent up to now is 541.1 secs Computing kpt #: 138 total cpu time spent up to now is 544.2 secs Computing kpt #: 139 total cpu time spent up to now is 547.2 secs Computing kpt #: 140 total cpu time spent up to now is 550.3 secs Computing kpt #: 141 total cpu time spent up to now is 553.4 secs Computing kpt #: 142 total cpu time spent up to now is 556.3 secs Computing kpt #: 143 total cpu time spent up to now is 559.2 secs Computing kpt #: 144 total cpu time spent up to now is 562.2 secs Computing kpt #: 145 total cpu time spent up to now is 565.3 secs Computing kpt #: 146 total cpu time spent up to now is 568.7 secs Computing kpt #: 147 total cpu time spent up to now is 571.8 secs Computing kpt #: 148 total cpu time spent up to now is 575.0 secs Computing kpt #: 149 total cpu time spent up to now is 578.3 secs Computing kpt #: 150 total cpu time spent up to now is 581.5 secs Computing kpt #: 151 total cpu time spent up to now is 584.7 secs Computing kpt #: 152 total cpu time spent up to now is 588.1 secs Computing kpt #: 153 total cpu time spent up to now is 591.3 secs Computing kpt #: 154 total cpu time spent up to now is 594.6 secs Computing kpt #: 155 total cpu time spent up to now is 597.7 secs Computing kpt #: 156 total cpu time spent up to now is 600.8 secs Computing kpt #: 157 total cpu time spent up to now is 603.9 secs Computing kpt #: 158 total cpu time spent up to now is 606.9 secs Computing kpt #: 159 total cpu time spent up to now is 610.0 secs Computing kpt #: 160 total cpu time spent up to now is 613.1 secs Computing kpt #: 161 total cpu time spent up to now is 616.3 secs Computing kpt #: 162 total cpu time spent up to now is 619.3 secs Computing kpt #: 163 total cpu time spent up to now is 622.5 secs Computing kpt #: 164 total cpu time spent up to now is 625.5 secs Computing kpt #: 165 total cpu time spent up to now is 628.6 secs Computing kpt #: 166 total cpu time spent up to now is 631.6 secs Computing kpt #: 167 total cpu time spent up to now is 634.6 secs Computing kpt #: 168 total cpu time spent up to now is 637.6 secs Computing kpt #: 169 total cpu time spent up to now is 640.7 secs Computing kpt #: 170 total cpu time spent up to now is 643.6 secs Computing kpt #: 171 total cpu time spent up to now is 646.5 secs Computing kpt #: 172 total cpu time spent up to now is 649.4 secs Computing kpt #: 173 total cpu time spent up to now is 652.3 secs Computing kpt #: 174 total cpu time spent up to now is 655.4 secs Computing kpt #: 175 total cpu time spent up to now is 658.4 secs Computing kpt #: 176 total cpu time spent up to now is 661.5 secs Computing kpt #: 177 total cpu time spent up to now is 664.6 secs Computing kpt #: 178 total cpu time spent up to now is 667.7 secs Computing kpt #: 179 total cpu time spent up to now is 671.2 secs Computing kpt #: 180 total cpu time spent up to now is 674.3 secs Computing kpt #: 181 total cpu time spent up to now is 677.4 secs Computing kpt #: 182 total cpu time spent up to now is 680.4 secs Computing kpt #: 183 total cpu time spent up to now is 683.4 secs Computing kpt #: 184 total cpu time spent up to now is 686.7 secs Computing kpt #: 185 total cpu time spent up to now is 689.8 secs Computing kpt #: 186 total cpu time spent up to now is 692.8 secs Computing kpt #: 187 total cpu time spent up to now is 696.2 secs Computing kpt #: 188 total cpu time spent up to now is 699.6 secs Computing kpt #: 189 total cpu time spent up to now is 703.0 secs Computing kpt #: 190 total cpu time spent up to now is 706.4 secs Computing kpt #: 191 total cpu time spent up to now is 709.7 secs Computing kpt #: 192 total cpu time spent up to now is 713.1 secs Computing kpt #: 193 total cpu time spent up to now is 716.5 secs Computing kpt #: 194 total cpu time spent up to now is 719.8 secs Computing kpt #: 195 total cpu time spent up to now is 723.2 secs Computing kpt #: 196 total cpu time spent up to now is 726.6 secs Computing kpt #: 197 total cpu time spent up to now is 729.9 secs Computing kpt #: 198 total cpu time spent up to now is 733.3 secs Computing kpt #: 199 total cpu time spent up to now is 737.4 secs Computing kpt #: 200 total cpu time spent up to now is 741.4 secs Computing kpt #: 201 total cpu time spent up to now is 744.8 secs Computing kpt #: 202 total cpu time spent up to now is 748.2 secs Computing kpt #: 203 total cpu time spent up to now is 751.5 secs Computing kpt #: 204 total cpu time spent up to now is 754.9 secs Computing kpt #: 205 total cpu time spent up to now is 758.3 secs Computing kpt #: 206 total cpu time spent up to now is 761.6 secs Computing kpt #: 207 total cpu time spent up to now is 764.9 secs Computing kpt #: 208 total cpu time spent up to now is 768.3 secs Computing kpt #: 209 total cpu time spent up to now is 771.6 secs Computing kpt #: 210 total cpu time spent up to now is 774.8 secs Computing kpt #: 211 total cpu time spent up to now is 778.0 secs Computing kpt #: 212 total cpu time spent up to now is 781.5 secs Computing kpt #: 213 total cpu time spent up to now is 784.9 secs Computing kpt #: 214 total cpu time spent up to now is 788.2 secs Computing kpt #: 215 total cpu time spent up to now is 791.5 secs Computing kpt #: 216 total cpu time spent up to now is 794.8 secs Computing kpt #: 217 total cpu time spent up to now is 798.1 secs Computing kpt #: 218 total cpu time spent up to now is 801.7 secs Computing kpt #: 219 total cpu time spent up to now is 805.1 secs Computing kpt #: 220 total cpu time spent up to now is 808.5 secs Computing kpt #: 221 total cpu time spent up to now is 811.9 secs Computing kpt #: 222 total cpu time spent up to now is 815.4 secs Computing kpt #: 223 total cpu time spent up to now is 818.8 secs Computing kpt #: 224 total cpu time spent up to now is 822.3 secs Computing kpt #: 225 total cpu time spent up to now is 825.9 secs Computing kpt #: 226 total cpu time spent up to now is 829.4 secs Computing kpt #: 227 total cpu time spent up to now is 832.9 secs Computing kpt #: 228 total cpu time spent up to now is 836.3 secs Computing kpt #: 229 total cpu time spent up to now is 839.8 secs Computing kpt #: 230 total cpu time spent up to now is 843.2 secs Computing kpt #: 231 total cpu time spent up to now is 846.7 secs Computing kpt #: 232 total cpu time spent up to now is 850.2 secs Computing kpt #: 233 total cpu time spent up to now is 853.7 secs Computing kpt #: 234 total cpu time spent up to now is 857.4 secs Computing kpt #: 235 total cpu time spent up to now is 860.8 secs Computing kpt #: 236 total cpu time spent up to now is 864.3 secs Computing kpt #: 237 total cpu time spent up to now is 867.6 secs Computing kpt #: 238 total cpu time spent up to now is 870.9 secs Computing kpt #: 239 total cpu time spent up to now is 874.2 secs Computing kpt #: 240 total cpu time spent up to now is 877.6 secs Computing kpt #: 241 total cpu time spent up to now is 880.8 secs Computing kpt #: 242 total cpu time spent up to now is 884.1 secs Computing kpt #: 243 total cpu time spent up to now is 887.2 secs Computing kpt #: 244 total cpu time spent up to now is 890.2 secs Computing kpt #: 245 total cpu time spent up to now is 893.5 secs Computing kpt #: 246 total cpu time spent up to now is 896.6 secs Computing kpt #: 247 total cpu time spent up to now is 900.0 secs Computing kpt #: 248 total cpu time spent up to now is 903.2 secs Computing kpt #: 249 total cpu time spent up to now is 906.6 secs Computing kpt #: 250 total cpu time spent up to now is 910.1 secs Computing kpt #: 251 total cpu time spent up to now is 913.4 secs Computing kpt #: 252 total cpu time spent up to now is 916.8 secs Computing kpt #: 253 total cpu time spent up to now is 920.2 secs Computing kpt #: 254 total cpu time spent up to now is 923.5 secs Computing kpt #: 255 total cpu time spent up to now is 926.5 secs Computing kpt #: 256 total cpu time spent up to now is 929.6 secs Computing kpt #: 257 total cpu time spent up to now is 932.7 secs Computing kpt #: 258 total cpu time spent up to now is 935.8 secs Computing kpt #: 259 total cpu time spent up to now is 938.8 secs Computing kpt #: 260 total cpu time spent up to now is 942.0 secs Computing kpt #: 261 total cpu time spent up to now is 945.3 secs Computing kpt #: 262 total cpu time spent up to now is 948.5 secs Computing kpt #: 263 total cpu time spent up to now is 951.8 secs Computing kpt #: 264 total cpu time spent up to now is 955.0 secs Computing kpt #: 265 total cpu time spent up to now is 958.2 secs Computing kpt #: 266 total cpu time spent up to now is 961.5 secs Computing kpt #: 267 total cpu time spent up to now is 964.9 secs Computing kpt #: 268 total cpu time spent up to now is 968.2 secs Computing kpt #: 269 total cpu time spent up to now is 971.4 secs Computing kpt #: 270 total cpu time spent up to now is 974.6 secs Computing kpt #: 271 total cpu time spent up to now is 977.9 secs Computing kpt #: 272 total cpu time spent up to now is 981.2 secs Computing kpt #: 273 total cpu time spent up to now is 984.5 secs Computing kpt #: 274 total cpu time spent up to now is 987.8 secs Computing kpt #: 275 total cpu time spent up to now is 991.2 secs ethr = 2.38E-11, avg # of iterations = 49.2 total cpu time spent up to now is 991.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4787 PWs) bands (ev): -8.5531 -8.5531 -7.3639 -7.3639 -7.3635 -7.3635 -7.2739 -7.2739 -3.5006 -3.5006 -3.4896 -3.4896 -2.8527 -2.8527 -2.8426 -2.8426 -2.8187 -2.8187 -1.0744 -1.0744 0.2145 0.2145 1.1112 1.1112 1.2796 1.2796 1.3565 1.3565 1.7202 1.7202 2.1406 2.1406 2.8773 2.8773 2.9621 2.9621 3.9916 3.9916 4.3528 4.3528 4.3880 4.3880 6.5389 6.5389 7.3773 7.3773 8.2732 8.2732 9.8705 9.8705 k = 0.0000 0.0000 0.0212 ( 4767 PWs) bands (ev): -8.5525 -8.5525 -7.3644 -7.3643 -7.3639 -7.3639 -7.2739 -7.2739 -3.5009 -3.5006 -3.4898 -3.4893 -2.8531 -2.8524 -2.8441 -2.8412 -2.8200 -2.8175 -1.0744 -1.0736 0.2101 0.2176 1.0977 1.1175 1.2680 1.2955 1.3443 1.3724 1.7128 1.7331 2.1396 2.1413 2.8746 2.8809 2.9605 2.9637 3.9848 3.9932 4.3470 4.3529 4.3836 4.3839 6.5469 6.5486 7.3806 7.3811 8.2751 8.2791 9.8636 9.8675 k = 0.0000 0.0000 0.0424 ( 4769 PWs) bands (ev): -8.5504 -8.5504 -7.3660 -7.3659 -7.3651 -7.3650 -7.2740 -7.2739 -3.5014 -3.5009 -3.4897 -3.4889 -2.8536 -2.8522 -2.8456 -2.8397 -2.8214 -2.8164 -1.0736 -1.0720 0.2043 0.2191 1.0805 1.1164 1.2568 1.3149 1.3363 1.3940 1.7117 1.7508 2.1380 2.1413 2.8721 2.8852 2.9593 2.9658 3.9723 3.9899 4.3316 4.3465 4.3724 4.3753 6.5722 6.5754 7.3910 7.3920 8.2848 8.2926 9.8416 9.8587 k = 0.0000 0.0000 0.0635 ( 4761 PWs) bands (ev): -8.5470 -8.5470 -7.3687 -7.3686 -7.3670 -7.3669 -7.2742 -7.2740 -3.5023 -3.5015 -3.4894 -3.4885 -2.8542 -2.8523 -2.8468 -2.8384 -2.8229 -2.8155 -1.0719 -1.0696 0.1970 0.2187 1.0635 1.1111 1.2429 1.3119 1.3552 1.4215 1.7169 1.7721 2.1358 2.1403 2.8691 2.8896 2.9597 2.9698 3.9530 3.9814 4.3030 4.3284 4.3617 4.3681 6.6133 6.6177 7.4081 7.4099 8.3023 8.3140 9.8111 9.8419 k = 0.0000 0.0000 0.0847 ( 4765 PWs) bands (ev): -8.5422 -8.5422 -7.3724 -7.3723 -7.3696 -7.3694 -7.2744 -7.2743 -3.5034 -3.5022 -3.4890 -3.4881 -2.8548 -2.8529 -2.8477 -2.8372 -2.8243 -2.8147 -1.0695 -1.0666 0.1880 0.2157 1.0500 1.1055 1.2261 1.2957 1.3886 1.4533 1.7279 1.7962 2.1323 2.1378 2.8653 2.8930 2.9638 2.9768 3.9253 3.9668 4.2634 4.2997 4.3537 4.3622 6.6682 6.6732 7.4318 7.4345 8.3275 8.3431 9.7743 9.8154 k = 0.0000 0.0000 0.1059 ( 4769 PWs) bands (ev): -8.5361 -8.5361 -7.3772 -7.3770 -7.3728 -7.3726 -7.2748 -7.2746 -3.5047 -3.5030 -3.4885 -3.4877 -2.8557 -2.8538 -2.8481 -2.8363 -2.8254 -2.8141 -1.0664 -1.0630 0.1768 0.2096 1.0420 1.1026 1.2070 1.2763 1.4244 1.4876 1.7439 1.8222 2.1272 2.1333 2.8612 2.8948 2.9732 2.9876 3.8881 3.9446 4.2179 4.2665 4.3461 4.3564 6.7342 6.7392 7.4616 7.4656 8.3604 8.3799 9.7326 9.7803 k = 0.0000 0.0000 0.1271 ( 4779 PWs) bands (ev): -8.5286 -8.5286 -7.3829 -7.3826 -7.3767 -7.3764 -7.2755 -7.2752 -3.5062 -3.5038 -3.4883 -3.4870 -2.8571 -2.8548 -2.8484 -2.8357 -2.8262 -2.8135 -1.0626 -1.0589 0.1632 0.1999 1.0411 1.1043 1.1867 1.2554 1.4599 1.5226 1.7644 1.8493 2.1202 2.1266 2.8581 2.8957 2.9880 3.0021 3.8406 3.9130 4.1712 4.2328 4.3377 4.3498 6.8086 6.8129 7.4973 7.5027 8.4010 8.4242 9.6875 9.7387 k = 0.0000 0.0000 0.1483 ( 4789 PWs) bands (ev): -8.5199 -8.5198 -7.3894 -7.3891 -7.3812 -7.3809 -7.2763 -7.2760 -3.5078 -3.5046 -3.4883 -3.4862 -2.8588 -2.8558 -2.8486 -2.8355 -2.8264 -2.8130 -1.0582 -1.0543 0.1468 0.1862 1.0480 1.1112 1.1661 1.2344 1.4927 1.5565 1.7887 1.8770 2.1117 2.1180 2.8574 2.8972 3.0074 3.0196 3.7831 3.8706 4.1273 4.2006 4.3285 4.3424 6.8885 6.8917 7.5385 7.5457 8.4488 8.4759 9.6400 9.6927 k = 0.0000 0.0000 0.1694 ( 4781 PWs) bands (ev): -8.5098 -8.5098 -7.3968 -7.3964 -7.3863 -7.3859 -7.2774 -7.2770 -3.5095 -3.5055 -3.4885 -3.4853 -2.8607 -2.8568 -2.8487 -2.8356 -2.8260 -2.8125 -1.0534 -1.0495 0.1276 0.1683 1.0627 1.1228 1.1467 1.2153 1.5207 1.5872 1.8162 1.9042 2.1029 2.1087 2.8604 2.9009 3.0303 3.0393 3.7174 3.8179 4.0882 4.1702 4.3184 4.3340 6.9714 6.9729 7.5850 7.5942 8.5036 8.5345 9.5912 9.6443 k = 0.0000 0.0000 0.1906 ( 4781 PWs) bands (ev): -8.4985 -8.4984 -7.4049 -7.4045 -7.3919 -7.3915 -7.2788 -7.2784 -3.5112 -3.5064 -3.4888 -3.4844 -2.8627 -2.8582 -2.8489 -2.8359 -2.8253 -2.8121 -1.0482 -1.0445 0.1056 0.1464 1.0822 1.1310 1.1361 1.2033 1.5419 1.6121 1.8461 1.9296 2.0953 2.1023 2.8678 2.9073 3.0554 3.0601 3.6460 3.7579 4.0535 4.1413 4.3076 4.3247 7.0544 7.0548 7.6368 7.6478 8.5646 8.5994 9.5419 9.5949 k = 0.0000 0.0000 0.2118 ( 4777 PWs) bands (ev): -8.4859 -8.4859 -7.4137 -7.4133 -7.3980 -7.3976 -7.2806 -7.2801 -3.5128 -3.5074 -3.4893 -3.4835 -2.8647 -2.8599 -2.8489 -2.8361 -2.8243 -2.8116 -1.0427 -1.0393 0.0809 0.1209 1.0897 1.1349 1.1413 1.2093 1.5542 1.6279 1.8777 1.9520 2.0897 2.1045 2.8795 2.9164 3.0796 3.0824 3.5720 3.6950 4.0216 4.1129 4.2962 4.3147 7.1343 7.1368 7.6934 7.7060 8.6308 8.6695 9.4927 9.5455 k = 0.0000 0.0000 0.2330 ( 4773 PWs) bands (ev): -8.4722 -8.4721 -7.4232 -7.4227 -7.4046 -7.4041 -7.2828 -7.2822 -3.5145 -3.5084 -3.4898 -3.4825 -2.8666 -2.8619 -2.8488 -2.8363 -2.8231 -2.8112 -1.0371 -1.0341 0.0538 0.0924 1.0789 1.1267 1.1740 1.2356 1.5562 1.6318 1.9097 1.9716 2.0895 2.1181 2.8952 2.9272 3.0981 3.1076 3.4993 3.6338 3.9912 4.0844 4.2846 4.3041 7.2114 7.2158 7.7544 7.7680 8.7010 8.7433 9.4445 9.4974 k = 0.0000 0.0000 0.2542 ( 4773 PWs) bands (ev): -8.4572 -8.4572 -7.4333 -7.4327 -7.4115 -7.4110 -7.2854 -7.2847 -3.5161 -3.5095 -3.4904 -3.4817 -2.8685 -2.8642 -2.8486 -2.8363 -2.8219 -2.8107 -1.0314 -1.0289 0.0247 0.0613 1.0654 1.1126 1.2203 1.2729 1.5473 1.6223 1.9409 1.9907 2.0981 2.1420 2.9135 2.9379 3.1123 3.1294 3.4335 3.5795 3.9613 4.0552 4.2728 4.2931 7.2848 7.2907 7.8191 7.8328 8.7729 8.8185 9.3981 9.4518 k = 0.0000 0.0000 0.2754 ( 4779 PWs) bands (ev): -8.4411 -8.4411 -7.4438 -7.4432 -7.4187 -7.4182 -7.2884 -7.2877 -3.5176 -3.5106 -3.4911 -3.4808 -2.8702 -2.8666 -2.8482 -2.8363 -2.8207 -2.8103 -1.0259 -1.0237 -0.0061 0.0282 1.0531 1.0986 1.2730 1.3148 1.5293 1.6018 1.9706 2.0108 2.1171 2.1729 2.9321 2.9452 3.1206 3.1430 3.3832 3.5365 3.9316 4.0250 4.2610 4.2818 7.3544 7.3613 7.8863 7.8992 8.8436 8.8910 9.3550 9.4109 k = 0.0000 0.0000 0.2965 ( 4775 PWs) bands (ev): -8.4240 -8.4239 -7.4549 -7.4543 -7.4262 -7.4257 -7.2919 -7.2911 -3.5190 -3.5118 -3.4917 -3.4800 -2.8717 -2.8692 -2.8476 -2.8362 -2.8195 -2.8098 -1.0205 -1.0185 -0.0382 -0.0063 1.0429 1.0858 1.3275 1.3544 1.5070 1.5779 1.9988 2.0316 2.1458 2.2077 2.9442 2.9479 3.1207 3.1475 3.3581 3.5075 3.9024 3.9939 4.2495 4.2704 7.4202 7.4276 7.9546 7.9657 8.9077 8.9543 9.3187 9.3790 k = 0.0000 0.0000 0.3177 ( 4767 PWs) bands (ev): -8.4058 -8.4057 -7.4664 -7.4658 -7.4340 -7.4334 -7.2959 -7.2950 -3.5203 -3.5131 -3.4924 -3.4793 -2.8731 -2.8718 -2.8470 -2.8362 -2.8184 -2.8093 -1.0155 -1.0130 -0.0713 -0.0418 1.0350 1.0746 1.3675 1.3798 1.4955 1.5671 2.0251 2.0530 2.1812 2.2436 2.9332 2.9517 3.1132 3.1540 3.3588 3.4920 3.8748 3.9622 4.2382 4.2591 7.4827 7.4901 8.0224 8.0312 8.9567 8.9976 9.2957 9.3637 k = 0.0000 0.0000 0.3389 ( 4759 PWs) bands (ev): -8.3866 -8.3865 -7.4783 -7.4777 -7.4418 -7.4412 -7.3004 -7.2994 -3.5214 -3.5144 -3.4930 -3.4786 -2.8745 -2.8742 -2.8462 -2.8361 -2.8173 -2.8088 -1.0107 -1.0076 -0.1049 -0.0778 1.0294 1.0649 1.3591 1.3785 1.5250 1.5899 2.0480 2.0747 2.2204 2.2785 2.9113 2.9388 3.1130 3.1680 3.3753 3.4858 3.8502 3.9306 4.2273 4.2479 7.5423 7.5494 8.0878 8.0943 8.9788 9.0093 9.2951 9.3728 k = 0.0000 0.0000 0.3601 ( 4755 PWs) bands (ev): -8.3664 -8.3663 -7.4905 -7.4899 -7.4498 -7.4491 -7.3054 -7.3043 -3.5224 -3.5157 -3.4936 -3.4780 -2.8770 -2.8752 -2.8454 -2.8362 -2.8163 -2.8083 -1.0061 -1.0021 -0.1389 -0.1140 1.0253 1.0563 1.3229 1.3456 1.5885 1.6410 2.0657 2.0958 2.2607 2.3103 2.8847 2.9145 3.1262 3.1881 3.3981 3.4832 3.8311 3.9001 4.2169 4.2370 7.5995 7.6062 8.1488 8.1549 8.9683 8.9884 9.3188 9.4045 k = 0.0000 0.0000 0.3813 ( 4751 PWs) bands (ev): -8.3454 -8.3453 -7.5030 -7.5024 -7.4577 -7.4571 -7.3109 -7.3098 -3.5233 -3.5170 -3.4942 -3.4776 -2.8794 -2.8759 -2.8446 -2.8362 -2.8154 -2.8078 -1.0016 -0.9966 -0.1729 -0.1502 1.0203 1.0486 1.2755 1.3050 1.6641 1.7055 2.0768 2.1135 2.3005 2.3378 2.8613 2.8912 3.1472 3.2119 3.4212 3.4796 3.8198 3.8722 4.2070 4.2266 7.6548 7.6609 8.2036 8.2122 8.9310 8.9449 9.3563 9.4463 k = 0.0000 0.0000 0.4024 ( 4751 PWs) bands (ev): -8.3235 -8.3234 -7.5158 -7.5152 -7.4657 -7.4650 -7.3170 -7.3158 -3.5240 -3.5184 -3.4947 -3.4772 -2.8816 -2.8765 -2.8437 -2.8364 -2.8146 -2.8073 -0.9970 -0.9911 -0.2067 -0.1860 1.0093 1.0428 1.2237 1.2690 1.7441 1.7757 2.0804 2.1243 2.3390 2.3614 2.8479 2.8770 3.1706 3.2374 3.4386 3.4743 3.8180 3.8489 4.1978 4.2167 7.7083 7.7141 8.2522 8.2645 8.8757 8.8873 9.3952 9.4860 k = 0.0000 0.0000 0.4236 ( 4747 PWs) bands (ev): -8.3009 -8.3008 -7.5287 -7.5282 -7.4735 -7.4729 -7.3236 -7.3223 -3.5246 -3.5196 -3.4952 -3.4770 -2.8837 -2.8768 -2.8429 -2.8366 -2.8139 -2.8068 -0.9922 -0.9854 -0.2402 -0.2212 0.9875 1.0361 1.1753 1.2433 1.8241 1.8464 2.0772 2.1255 2.3752 2.3849 2.8481 2.8752 3.1930 3.2628 3.4384 3.4766 3.8242 3.8334 4.1894 4.2075 7.7600 7.7659 8.2943 8.3106 8.8081 8.8203 9.4273 9.5157 k = 0.0000 0.0000 0.4448 ( 4739 PWs) bands (ev): -8.2776 -8.2775 -7.5419 -7.5414 -7.4812 -7.4805 -7.3307 -7.3294 -3.5250 -3.5208 -3.4957 -3.4769 -2.8856 -2.8769 -2.8423 -2.8367 -2.8134 -2.8064 -0.9872 -0.9797 -0.2731 -0.2556 0.9542 1.0175 1.1425 1.2302 1.8955 1.9110 2.0741 2.1193 2.4052 2.4173 2.8620 2.8855 3.2120 3.2866 3.4232 3.4855 3.8213 3.8432 4.1819 4.1992 7.8097 7.8161 8.3292 8.3490 8.7321 8.7463 9.4485 9.5326 k = 0.0000 0.0000 0.4660 ( 4739 PWs) bands (ev): -8.2537 -8.2536 -7.5552 -7.5548 -7.4886 -7.4880 -7.3383 -7.3370 -3.5254 -3.5218 -3.4961 -3.4770 -2.8873 -2.8768 -2.8418 -2.8368 -2.8130 -2.8060 -0.9818 -0.9737 -0.3052 -0.2891 0.9119 0.9782 1.1342 1.2290 1.9328 1.9580 2.0924 2.1200 2.4353 2.4565 2.8865 2.9052 3.2251 3.3066 3.4074 3.4924 3.8214 3.8645 4.1756 4.1920 7.8569 7.8644 8.3564 8.3781 8.6507 8.6677 9.4582 9.5378 k = 0.0000 0.0000 0.4872 ( 4737 PWs) bands (ev): -8.2292 -8.2291 -7.5686 -7.5683 -7.4958 -7.4952 -7.3464 -7.3451 -3.5256 -3.5227 -3.4966 -3.4773 -2.8887 -2.8765 -2.8418 -2.8367 -2.8128 -2.8057 -0.9760 -0.9674 -0.3365 -0.3215 0.8638 0.9256 1.1431 1.2374 1.9232 1.9645 2.1399 2.1569 2.4700 2.5000 2.9169 2.9306 3.2300 3.3210 3.4002 3.4969 3.8292 3.8897 4.1705 4.1860 7.9002 7.9096 8.3744 8.3942 8.5675 8.5896 9.4587 9.5347 k = 0.0000 0.0000 0.5083 ( 4733 PWs) bands (ev): -8.2043 -8.2041 -7.5822 -7.5819 -7.5027 -7.5021 -7.3549 -7.3536 -3.5258 -3.5233 -3.4971 -3.4777 -2.8899 -2.8760 -2.8422 -2.8363 -2.8127 -2.8054 -0.9696 -0.9606 -0.3668 -0.3528 0.8124 0.8682 1.1610 1.2533 1.8899 1.9367 2.1932 2.2249 2.5098 2.5490 2.9462 2.9605 3.2268 3.3310 3.4053 3.5013 3.8429 3.9168 4.1667 4.1815 7.9369 7.9495 8.3784 8.3878 8.4904 8.5249 9.4535 9.5263 k = 0.0000 0.0000 0.5295 ( 4733 PWs) bands (ev): -8.1790 -8.1788 -7.5959 -7.5957 -7.5092 -7.5086 -7.3638 -7.3626 -3.5259 -3.5236 -3.4976 -3.4782 -2.8909 -2.8754 -2.8430 -2.8358 -2.8127 -2.8052 -0.9625 -0.9534 -0.3960 -0.3827 0.7598 0.8098 1.1844 1.2749 1.8472 1.8955 2.2458 2.2947 2.5546 2.6042 2.9694 2.9917 3.2212 3.3407 3.4190 3.5080 3.8604 3.9445 4.1645 4.1786 7.9608 7.9791 8.3464 8.3547 8.4402 8.4912 9.4456 9.5153 k = 0.0000 0.0000 0.5507 ( 4721 PWs) bands (ev): -8.1534 -8.1532 -7.6098 -7.6096 -7.5153 -7.5146 -7.3731 -7.3719 -3.5261 -3.5236 -3.4982 -3.4790 -2.8916 -2.8747 -2.8441 -2.8352 -2.8128 -2.8051 -0.9547 -0.9457 -0.4240 -0.4112 0.7073 0.7520 1.2114 1.3011 1.8010 1.8502 2.2913 2.3555 2.6049 2.6646 2.9881 3.0176 3.2218 3.3521 3.4372 3.5190 3.8798 3.9718 4.1637 4.1775 7.9609 7.9881 8.2933 8.3087 8.4229 8.4780 9.4376 9.5036 k = 0.0000 0.0000 0.5719 ( 4727 PWs) bands (ev): -8.1275 -8.1273 -7.6238 -7.6237 -7.5209 -7.5202 -7.3827 -7.3815 -3.5262 -3.5233 -3.4987 -3.4799 -2.8920 -2.8738 -2.8454 -2.8347 -2.8130 -2.8051 -0.9462 -0.9374 -0.4507 -0.4383 0.6558 0.6958 1.2412 1.3313 1.7540 1.8047 2.3267 2.4014 2.6599 2.7269 3.0060 3.0365 3.2335 3.3637 3.4586 3.5362 3.8995 3.9979 4.1642 4.1783 7.9254 7.9612 8.2577 8.2819 8.4136 8.4692 9.4312 9.4926 k = 0.0000 0.0000 0.5931 ( 4729 PWs) bands (ev): -8.1016 -8.1014 -7.6380 -7.6379 -7.5259 -7.5253 -7.3924 -7.3913 -3.5262 -3.5228 -3.4994 -3.4810 -2.8922 -2.8728 -2.8469 -2.8343 -2.8133 -2.8051 -0.9369 -0.9286 -0.4760 -0.4639 0.6060 0.6417 1.2729 1.3648 1.7078 1.7617 2.3506 2.4297 2.7162 2.7853 3.0299 3.0543 3.2534 3.3731 3.4827 3.5613 3.9186 4.0222 4.1661 4.1810 7.8569 7.8958 8.2482 8.2771 8.4075 8.4620 9.4271 9.4833 k = 0.0000 0.0000 0.6143 ( 4729 PWs) bands (ev): -8.0757 -8.0754 -7.6525 -7.6523 -7.5305 -7.5298 -7.4022 -7.4011 -3.5260 -3.5222 -3.5000 -3.4823 -2.8921 -2.8718 -2.8484 -2.8342 -2.8135 -2.8052 -0.9269 -0.9192 -0.4999 -0.4879 0.5585 0.5902 1.3055 1.4010 1.6636 1.7228 2.3627 2.4404 2.7685 2.8338 3.0663 3.0807 3.2743 3.3793 3.5099 3.5946 3.9363 4.0441 4.1690 4.1855 7.7694 7.8076 8.2489 8.2766 8.4103 8.4599 9.4258 9.4761 k = 0.0000 0.0000 0.6354 ( 4729 PWs) bands (ev): -8.0499 -8.0495 -7.6673 -7.6670 -7.5344 -7.5338 -7.4119 -7.4109 -3.5257 -3.5215 -3.5006 -3.4837 -2.8917 -2.8709 -2.8499 -2.8343 -2.8136 -2.8054 -0.9163 -0.9093 -0.5222 -0.5104 0.5137 0.5417 1.3375 1.4393 1.6222 1.6898 2.3628 2.4346 2.8139 2.8703 3.1118 3.1254 3.2901 3.3828 3.5413 3.6341 3.9523 4.0631 4.1730 4.1913 7.6741 7.7102 8.2441 8.2660 8.4275 8.4676 9.4268 9.4709 k = 0.0000 0.0000 0.6566 ( 4731 PWs) bands (ev): -8.0242 -8.0238 -7.6824 -7.6819 -7.5378 -7.5372 -7.4214 -7.4204 -3.5252 -3.5207 -3.5013 -3.4853 -2.8911 -2.8701 -2.8513 -2.8347 -2.8137 -2.8056 -0.9053 -0.8991 -0.5429 -0.5313 0.4722 0.4967 1.3668 1.4787 1.5847 1.6652 2.3518 2.4150 2.8532 2.8988 3.1585 3.1883 3.2982 3.3861 3.5773 3.6770 3.9662 4.0788 4.1779 4.1980 7.5776 7.6112 8.2285 8.2444 8.4562 8.4864 9.4293 9.4671 k = 0.0000 0.0000 0.6778 ( 4725 PWs) bands (ev): -7.9989 -7.9985 -7.6978 -7.6973 -7.5406 -7.5400 -7.4305 -7.4296 -3.5246 -3.5198 -3.5018 -3.4870 -2.8903 -2.8695 -2.8525 -2.8355 -2.8136 -2.8060 -0.8940 -0.8887 -0.5618 -0.5506 0.4344 0.4555 1.3908 1.5140 1.5562 1.6514 2.3311 2.3849 2.8890 2.9242 3.2025 3.2571 3.2984 3.3938 3.6168 3.7203 3.9783 4.0908 4.1837 4.2050 7.4842 7.5149 8.2042 8.2165 8.4904 8.5132 9.4323 9.4640 k = 0.0000 0.0000 0.6990 ( 4727 PWs) bands (ev): -7.9741 -7.9736 -7.7137 -7.7131 -7.5428 -7.5422 -7.4390 -7.4383 -3.5239 -3.5190 -3.5023 -3.4888 -2.8892 -2.8694 -2.8532 -2.8365 -2.8133 -2.8064 -0.8828 -0.8784 -0.5789 -0.5682 0.4006 0.4185 1.4067 1.5095 1.5719 1.6509 2.3030 2.3477 2.9231 2.9494 3.2328 3.2916 3.3257 3.4128 3.6578 3.7616 3.9889 4.0989 4.1900 4.2117 7.3969 7.4243 8.1758 8.1859 8.5260 8.5435 9.4349 9.4609 k = 0.0000 0.0000 0.7202 ( 4723 PWs) bands (ev): -7.9499 -7.9494 -7.7299 -7.7293 -7.5444 -7.5439 -7.4468 -7.4461 -3.5230 -3.5183 -3.5027 -3.4906 -2.8878 -2.8699 -2.8532 -2.8378 -2.8129 -2.8068 -0.8719 -0.8684 -0.5939 -0.5840 0.3714 0.3862 1.4139 1.4852 1.6112 1.6637 2.2700 2.3066 2.9564 2.9753 3.2439 3.2796 3.3898 3.4450 3.6984 3.7984 3.9987 4.1030 4.1965 4.2176 7.3184 7.3421 8.1472 8.1556 8.5604 8.5741 9.4365 9.4572 k = 0.0000 0.0000 0.7413 ( 4724 PWs) bands (ev): -7.9265 -7.9259 -7.7465 -7.7459 -7.5456 -7.5452 -7.4536 -7.4530 -3.5221 -3.5178 -3.5027 -3.4925 -2.8863 -2.8710 -2.8527 -2.8393 -2.8125 -2.8074 -0.8619 -0.8592 -0.6066 -0.5979 0.3471 0.3589 1.4147 1.4629 1.6513 1.6862 2.2350 2.2644 2.9885 3.0016 3.2403 3.2636 3.4469 3.4832 3.7369 3.8281 4.0091 4.1032 4.2030 4.2221 7.2510 7.2706 8.1209 8.1277 8.5917 8.6023 9.4367 9.4526 k = 0.0000 0.0000 0.7625 ( 4732 PWs) bands (ev): -7.9043 -7.9037 -7.7633 -7.7626 -7.5463 -7.5460 -7.4592 -7.4587 -3.5211 -3.5175 -3.5025 -3.4944 -2.8846 -2.8726 -2.8516 -2.8410 -2.8119 -2.8079 -0.8533 -0.8512 -0.6167 -0.6096 0.3281 0.3369 1.4126 1.4444 1.6889 1.7127 2.2013 2.2241 3.0187 3.0274 3.2289 3.2451 3.4947 3.5189 3.7720 3.8483 4.0212 4.0995 4.2090 4.2249 7.1967 7.2118 8.0989 8.1041 8.6182 8.6261 9.4360 9.4476 k = 0.0000 0.0000 0.7837 ( 4732 PWs) bands (ev): -7.8841 -7.8835 -7.7795 -7.7789 -7.5468 -7.5465 -7.4633 -7.4630 -3.5201 -3.5175 -3.5019 -3.4963 -2.8827 -2.8745 -2.8501 -2.8428 -2.8112 -2.8086 -0.8465 -0.8450 -0.6239 -0.6188 0.3147 0.3205 1.4106 1.4299 1.7214 1.7371 2.1729 2.1890 3.0454 3.0507 3.2150 3.2260 3.5313 3.5465 3.8025 3.8577 4.0357 4.0920 4.2145 4.2259 7.1573 7.1676 8.0825 8.0860 8.6388 8.6441 9.4350 9.4426 k = 0.0000 0.0000 0.8049 ( 4736 PWs) bands (ev): -7.8678 -7.8674 -7.7932 -7.7928 -7.5469 -7.5468 -7.4658 -7.4656 -3.5192 -3.5178 -3.5009 -3.4980 -2.8807 -2.8765 -2.8484 -2.8447 -2.8106 -2.8092 -0.8420 -0.8412 -0.6278 -0.6251 0.3071 0.3100 1.4104 1.4196 1.7453 1.7535 2.1547 2.1632 3.0655 3.0681 3.2037 3.2096 3.5552 3.5627 3.8275 3.8564 4.0517 4.0812 4.2191 4.2252 7.1341 7.1394 8.0726 8.0743 8.6522 8.6549 9.4347 9.4384 k = 0.0000 0.0000 0.8261 ( 4736 PWs) bands (ev): -7.8605 -7.8605 -7.7992 -7.7992 -7.5469 -7.5469 -7.4666 -7.4666 -3.5184 -3.5184 -3.4996 -3.4996 -2.8786 -2.8786 -2.8466 -2.8466 -2.8099 -2.8099 -0.8401 -0.8401 -0.6282 -0.6282 0.3055 0.3055 1.4132 1.4132 1.7568 1.7568 2.1510 2.1510 3.0741 3.0741 3.2009 3.2009 3.5658 3.5658 3.8459 3.8459 4.0674 4.0674 4.2228 4.2228 7.1281 7.1281 8.0698 8.0698 8.6576 8.6576 9.4357 9.4357 k = 0.0000 0.0000 0.8261 ( 4736 PWs) bands (ev): -7.8605 -7.8605 -7.7992 -7.7992 -7.5469 -7.5469 -7.4666 -7.4666 -3.5184 -3.5184 -3.4996 -3.4996 -2.8786 -2.8786 -2.8466 -2.8466 -2.8099 -2.8099 -0.8401 -0.8401 -0.6282 -0.6282 0.3055 0.3055 1.4132 1.4132 1.7568 1.7568 2.1510 2.1510 3.0741 3.0741 3.2009 3.2009 3.5658 3.5658 3.8459 3.8459 4.0674 4.0674 4.2228 4.2228 7.1281 7.1281 8.0698 8.0698 8.6576 8.6576 9.4357 9.4357 k =-0.0120 0.0158 0.8261 ( 4736 PWs) bands (ev): -7.8604 -7.8604 -7.7995 -7.7994 -7.5470 -7.5469 -7.4667 -7.4666 -3.5195 -3.5176 -3.5019 -3.4974 -2.8803 -2.8774 -2.8493 -2.8440 -2.8109 -2.8092 -0.8386 -0.8370 -0.6270 -0.6268 0.3046 0.3063 1.4123 1.4145 1.7553 1.7588 2.1500 2.1523 3.0696 3.0747 3.1969 3.2001 3.5647 3.5657 3.8438 3.8468 4.0639 4.0675 4.2217 4.2221 7.1295 7.1322 8.0714 8.0723 8.6601 8.6655 9.4367 9.4389 k =-0.0241 0.0317 0.8261 ( 4736 PWs) bands (ev): -7.8601 -7.8600 -7.8002 -7.8002 -7.5470 -7.5468 -7.4668 -7.4665 -3.5206 -3.5169 -3.5045 -3.4955 -2.8824 -2.8767 -2.8519 -2.8416 -2.8121 -2.8087 -0.8323 -0.8293 -0.6232 -0.6228 0.3033 0.3068 1.4118 1.4162 1.7542 1.7614 2.1495 2.1541 3.0612 3.0712 3.1883 3.1947 3.5624 3.5644 3.8404 3.8464 4.0573 4.0644 4.2189 4.2197 7.1365 7.1419 8.0770 8.0788 8.6726 8.6836 9.4416 9.4461 k =-0.0361 0.0475 0.8261 ( 4730 PWs) bands (ev): -7.8596 -7.8595 -7.8015 -7.8015 -7.5469 -7.5466 -7.4669 -7.4665 -3.5220 -3.5163 -3.5071 -3.4940 -2.8850 -2.8765 -2.8542 -2.8396 -2.8136 -2.8085 -0.8214 -0.8170 -0.6169 -0.6162 0.3018 0.3070 1.4116 1.4183 1.7537 1.7645 2.1493 2.1563 3.0488 3.0636 3.1755 3.1849 3.5588 3.5620 3.8360 3.8448 4.0478 4.0582 4.2141 4.2155 7.1489 7.1569 8.0865 8.0893 8.6944 8.7111 9.4498 9.4567 k =-0.0482 0.0634 0.8261 ( 4728 PWs) bands (ev): -7.8588 -7.8587 -7.8033 -7.8033 -7.5467 -7.5464 -7.4670 -7.4666 -3.5237 -3.5159 -3.5097 -3.4927 -2.8882 -2.8767 -2.8562 -2.8379 -2.8152 -2.8086 -0.8061 -0.8002 -0.6081 -0.6072 0.3001 0.3069 1.4117 1.4208 1.7537 1.7682 2.1495 2.1590 3.0323 3.0518 3.1591 3.1712 3.5542 3.5586 3.8305 3.8418 4.0359 4.0492 4.2074 4.2094 7.1665 7.1771 8.0996 8.1037 8.7245 8.7469 9.4601 9.4697 k =-0.0602 0.0792 0.8261 ( 4732 PWs) bands (ev): -7.8580 -7.8578 -7.8057 -7.8056 -7.5463 -7.5460 -7.4671 -7.4666 -3.5257 -3.5157 -3.5121 -3.4918 -2.8920 -2.8776 -2.8576 -2.8365 -2.8169 -2.8090 -0.7864 -0.7793 -0.5969 -0.5957 0.2981 0.3065 1.4122 1.4237 1.7541 1.7725 2.1500 2.1620 3.0118 3.0356 3.1395 3.1543 3.5485 3.5543 3.8239 3.8377 4.0219 4.0378 4.1986 4.2013 7.1891 7.2022 8.1162 8.1218 8.7610 8.7894 9.4706 9.4833 k =-0.0723 0.0950 0.8261 ( 4730 PWs) bands (ev): -7.8570 -7.8568 -7.8085 -7.8084 -7.5457 -7.5453 -7.4673 -7.4667 -3.5279 -3.5160 -3.5139 -3.4913 -2.8962 -2.8788 -2.8585 -2.8356 -2.8187 -2.8097 -0.7627 -0.7545 -0.5835 -0.5819 0.2959 0.3058 1.4131 1.4270 1.7549 1.7774 2.1508 2.1654 2.9870 3.0149 3.1176 3.1352 3.5418 3.5492 3.8165 3.8323 4.0063 4.0243 4.1878 4.1912 7.2165 7.2317 8.1359 8.1434 8.8017 8.8363 9.4776 9.4944 k =-0.0843 0.1109 0.8261 ( 4730 PWs) bands (ev): -7.8562 -7.8559 -7.8118 -7.8116 -7.5448 -7.5444 -7.4674 -7.4668 -3.5306 -3.5174 -3.5145 -3.4910 -2.9008 -2.8805 -2.8590 -2.8351 -2.8204 -2.8105 -0.7353 -0.7260 -0.5680 -0.5660 0.2935 0.3049 1.4143 1.4308 1.7561 1.7829 2.1518 2.1691 2.9581 2.9899 3.0940 3.1149 3.5343 3.5434 3.8082 3.8259 3.9896 4.0092 4.1749 4.1791 7.2481 7.2655 8.1582 8.1679 8.8436 8.8843 9.4762 9.4980 k =-0.0964 0.1267 0.8261 ( 4726 PWs) bands (ev): -7.8555 -7.8552 -7.8154 -7.8152 -7.5435 -7.5430 -7.4675 -7.4669 -3.5334 -3.5192 -3.5147 -3.4911 -2.9056 -2.8824 -2.8593 -2.8350 -2.8220 -2.8116 -0.7044 -0.6944 -0.5506 -0.5480 0.2910 0.3036 1.4160 1.4350 1.7578 1.7890 2.1529 2.1731 2.9252 2.9607 3.0695 3.0941 3.5261 3.5369 3.7990 3.8185 3.9720 3.9929 4.1601 4.1651 7.2837 7.3029 8.1825 8.1948 8.8829 8.9292 9.4608 9.4888 k =-0.1084 0.1426 0.8261 ( 4746 PWs) bands (ev): -7.8553 -7.8549 -7.8193 -7.8189 -7.5418 -7.5413 -7.4676 -7.4669 -3.5364 -3.5209 -3.5149 -3.4914 -2.9106 -2.8846 -2.8595 -2.8353 -2.8235 -2.8129 -0.6705 -0.6599 -0.5315 -0.5282 0.2884 0.3020 1.4180 1.4398 1.7598 1.7958 2.1541 2.1773 2.8887 2.9278 3.0448 3.0734 3.5172 3.5298 3.7891 3.8102 3.9537 3.9755 4.1436 4.1494 7.3227 7.3436 8.2082 8.2235 8.9156 8.9662 9.4306 9.4656 k =-0.1205 0.1584 0.8261 ( 4744 PWs) bands (ev): -7.8558 -7.8553 -7.8230 -7.8226 -7.5396 -7.5390 -7.4676 -7.4669 -3.5394 -3.5225 -3.5152 -3.4920 -2.9155 -2.8869 -2.8596 -2.8359 -2.8247 -2.8144 -0.6340 -0.6233 -0.5109 -0.5068 0.2859 0.3003 1.4206 1.4452 1.7623 1.8032 2.1552 2.1817 2.8495 2.8919 3.0205 3.0532 3.5078 3.5221 3.7786 3.8011 3.9352 3.9576 4.1255 4.1320 7.3648 7.3872 8.2342 8.2531 8.9376 8.9905 9.3890 9.4325 k =-0.1325 0.1743 0.8261 ( 4742 PWs) bands (ev): -7.8575 -7.8570 -7.8263 -7.8257 -7.5368 -7.5363 -7.4675 -7.4668 -3.5424 -3.5241 -3.5157 -3.4927 -2.9202 -2.8895 -2.8598 -2.8368 -2.8258 -2.8159 -0.5956 -0.5850 -0.4891 -0.4840 0.2836 0.2984 1.4237 1.4513 1.7652 1.8112 2.1564 2.1861 2.8083 2.8536 2.9971 3.0335 3.4977 3.5138 3.7675 3.7914 3.9164 3.9392 4.1061 4.1132 7.4094 7.4330 8.2595 8.2824 8.9457 8.9989 9.3403 9.3932 k =-0.1446 0.1901 0.8261 ( 4738 PWs) bands (ev): -7.8608 -7.8602 -7.8287 -7.8281 -7.5335 -7.5330 -7.4672 -7.4665 -3.5452 -3.5257 -3.5163 -3.4936 -2.9247 -2.8922 -2.8600 -2.8378 -2.8267 -2.8175 -0.5558 -0.5458 -0.4664 -0.4602 0.2820 0.2967 1.4274 1.4582 1.7685 1.8199 2.1573 2.1906 2.7661 2.8138 2.9749 3.0146 3.4872 3.5049 3.7560 3.7811 3.8976 3.9206 4.0857 4.0934 7.4560 7.4805 8.2827 8.3102 8.9388 8.9915 9.2866 9.3485 k =-0.1446 0.1901 0.8261 ( 4738 PWs) bands (ev): -7.8608 -7.8602 -7.8287 -7.8281 -7.5335 -7.5330 -7.4672 -7.4665 -3.5452 -3.5257 -3.5163 -3.4936 -2.9247 -2.8922 -2.8600 -2.8378 -2.8267 -2.8175 -0.5558 -0.5458 -0.4664 -0.4602 0.2820 0.2967 1.4274 1.4582 1.7685 1.8199 2.1573 2.1906 2.7661 2.8138 2.9749 3.0146 3.4872 3.5049 3.7560 3.7811 3.8976 3.9206 4.0857 4.0934 7.4560 7.4805 8.2827 8.3102 8.9388 8.9915 9.2866 9.3485 k =-0.1534 0.2018 0.8114 ( 4740 PWs) bands (ev): -7.8560 -7.8555 -7.8404 -7.8398 -7.5229 -7.5224 -7.4722 -7.4715 -3.5472 -3.5263 -3.5164 -3.4952 -2.9271 -2.8953 -2.8593 -2.8383 -2.8279 -2.8192 -0.5348 -0.5251 -0.4392 -0.4291 0.2802 0.2931 1.4346 1.4636 1.7639 1.8196 2.1660 2.1945 2.7232 2.7737 2.9794 3.0180 3.4645 3.4805 3.7620 3.7784 3.8921 3.9155 4.0574 4.0670 7.4913 7.5166 8.3037 8.3333 8.9126 8.9626 9.2402 9.3106 k =-0.1623 0.2135 0.7967 ( 4733 PWs) bands (ev): -7.8597 -7.8596 -7.8442 -7.8441 -7.5113 -7.5109 -7.4771 -7.4765 -3.5491 -3.5272 -3.5163 -3.4967 -2.9293 -2.8983 -2.8586 -2.8390 -2.8290 -2.8209 -0.5216 -0.5095 -0.4047 -0.3912 0.2819 0.2929 1.4432 1.4710 1.7533 1.8125 2.1797 2.2026 2.6839 2.7358 2.9830 3.0204 3.4318 3.4456 3.7563 3.7783 3.8841 3.9223 4.0286 4.0418 7.5329 7.5592 8.3241 8.3559 8.8772 8.9247 9.1933 9.2685 k =-0.1712 0.2252 0.7820 ( 4731 PWs) bands (ev): -7.8710 -7.8707 -7.8416 -7.8415 -7.4991 -7.4987 -7.4820 -7.4815 -3.5509 -3.5282 -3.5160 -3.4983 -2.9313 -2.9013 -2.8580 -2.8396 -2.8300 -2.8226 -0.5137 -0.4979 -0.3652 -0.3493 0.2876 0.2962 1.4529 1.4802 1.7381 1.8001 2.1959 2.2130 2.6498 2.7012 2.9855 3.0216 3.3904 3.4030 3.7424 3.7714 3.8820 3.9332 4.0019 4.0196 7.5801 7.6076 8.3423 8.3761 8.8363 8.8816 9.1456 9.2225 k =-0.1801 0.2368 0.7673 ( 4739 PWs) bands (ev): -7.8830 -7.8826 -7.8386 -7.8385 -7.4883 -7.4880 -7.4847 -7.4846 -3.5525 -3.5294 -3.5156 -3.4999 -2.9330 -2.9043 -2.8574 -2.8403 -2.8309 -2.8242 -0.5089 -0.4893 -0.3229 -0.3052 0.2972 0.3032 1.4635 1.4911 1.7198 1.7837 2.2110 2.2235 2.6228 2.6709 2.9866 3.0214 3.3419 3.3552 3.7213 3.7530 3.8863 3.9426 3.9824 4.0025 7.6321 7.6607 8.3559 8.3913 8.7938 8.8375 9.0973 9.1736 k =-0.1890 0.2485 0.7527 ( 4736 PWs) bands (ev): -7.8948 -7.8944 -7.8361 -7.8360 -7.4923 -7.4917 -7.4727 -7.4724 -3.5540 -3.5308 -3.5151 -3.5013 -2.9345 -2.9072 -2.8570 -2.8411 -2.8316 -2.8256 -0.5064 -0.4830 -0.2790 -0.2600 0.3107 0.3140 1.4746 1.5034 1.6996 1.7647 2.2202 2.2334 2.6049 2.6464 2.9856 3.0193 3.2884 3.3048 3.6926 3.7242 3.8935 3.9402 3.9807 3.9923 7.6880 7.7177 8.3625 8.3985 8.7538 8.7962 9.0489 9.1234 k =-0.1979 0.2602 0.7380 ( 4735 PWs) bands (ev): -7.9062 -7.9057 -7.8340 -7.8339 -7.4971 -7.4965 -7.4595 -7.4593 -3.5554 -3.5322 -3.5147 -3.5026 -2.9358 -2.9099 -2.8566 -2.8420 -2.8321 -2.8270 -0.5057 -0.4786 -0.2345 -0.2145 0.3274 0.3293 1.4855 1.5168 1.6788 1.7442 2.2207 2.2415 2.5976 2.6290 2.9811 3.0147 3.2325 3.2545 3.6567 3.6870 3.9001 3.9298 3.9874 3.9954 7.7466 7.7774 8.3596 8.3946 8.7194 8.7609 9.0016 9.0737 k =-0.2068 0.2719 0.7233 ( 4733 PWs) bands (ev): -7.9170 -7.9166 -7.8324 -7.8322 -7.5018 -7.5013 -7.4464 -7.4461 -3.5567 -3.5336 -3.5144 -3.5036 -2.9370 -2.9125 -2.8565 -2.8430 -2.8324 -2.8281 -0.5064 -0.4759 -0.1901 -0.1692 0.3459 0.3501 1.4956 1.5310 1.6586 1.7235 2.2132 2.2446 2.6012 2.6193 2.9703 3.0066 3.1770 3.2076 3.6148 3.6439 3.9037 3.9214 3.9919 4.0114 7.8067 7.8382 8.3464 8.3782 8.6921 8.7328 8.9571 9.0270 k =-0.2156 0.2836 0.7086 ( 4737 PWs) bands (ev): -7.9273 -7.9268 -7.8311 -7.8309 -7.5065 -7.5060 -7.4335 -7.4332 -3.5578 -3.5351 -3.5145 -3.5042 -2.9380 -2.9148 -2.8565 -2.8441 -2.8327 -2.8290 -0.5084 -0.4747 -0.1462 -0.1249 0.3672 0.3747 1.5032 1.5451 1.6406 1.7039 2.1994 2.2419 2.6128 2.6187 2.9496 2.9922 3.1262 3.1684 3.5689 3.5968 3.9034 3.9172 4.0009 4.0289 7.8669 7.8985 8.3242 8.3511 8.6699 8.7106 8.9174 8.9859 k =-0.2245 0.2953 0.6939 ( 4739 PWs) bands (ev): -7.9369 -7.9365 -7.8300 -7.8297 -7.5111 -7.5106 -7.4210 -7.4207 -3.5587 -3.5366 -3.5150 -3.5043 -2.9390 -2.9167 -2.8569 -2.8452 -2.8328 -2.8295 -0.5114 -0.4747 -0.1035 -0.0818 0.3914 0.4023 1.5067 1.5575 1.6271 1.6875 2.1812 2.2338 2.6197 2.6361 2.9167 2.9656 3.0874 3.1396 3.5205 3.5474 3.9006 3.9161 4.0130 4.0467 7.9250 7.9555 8.2971 8.3176 8.6489 8.6903 8.8855 8.9530 k =-0.2334 0.3070 0.6792 ( 4739 PWs) bands (ev): -7.9459 -7.9455 -7.8291 -7.8287 -7.5156 -7.5151 -7.4092 -7.4087 -3.5596 -3.5380 -3.5159 -3.5039 -2.9400 -2.9182 -2.8575 -2.8463 -2.8328 -2.8297 -0.5152 -0.4759 -0.0624 -0.0406 0.4178 0.4322 1.5041 1.5642 1.6213 1.6772 2.1608 2.2219 2.6277 2.6613 2.8737 2.9234 3.0643 3.1209 3.4713 3.4974 3.8973 3.9160 4.0267 4.0642 7.9778 8.0048 8.2713 8.2840 8.6258 8.6674 8.8639 8.9302 k =-0.2423 0.3186 0.6646 ( 4743 PWs) bands (ev): -7.9542 -7.9538 -7.8282 -7.8278 -7.5199 -7.5194 -7.3980 -7.3975 -3.5603 -3.5394 -3.5170 -3.5033 -2.9412 -2.9192 -2.8584 -2.8473 -2.8330 -2.8294 -0.5195 -0.4779 -0.0234 -0.0015 0.4459 0.4638 1.4957 1.5607 1.6257 1.6757 2.1399 2.2077 2.6361 2.6893 2.8259 2.8710 3.0519 3.1094 3.4226 3.4482 3.8943 3.9163 4.0409 4.0811 8.0198 8.0388 8.2543 8.2596 8.5994 8.6395 8.8538 8.9177 k =-0.2512 0.3303 0.6499 ( 4745 PWs) bands (ev): -7.9618 -7.9614 -7.8273 -7.8268 -7.5241 -7.5236 -7.3876 -7.3870 -3.5609 -3.5407 -3.5182 -3.5024 -2.9425 -2.9197 -2.8597 -2.8482 -2.8331 -2.8288 -0.5240 -0.4806 0.0132 0.0350 0.4748 0.4961 1.4835 1.5485 1.6375 1.6830 2.1199 2.1928 2.6395 2.7169 2.7807 2.8166 3.0435 3.1027 3.3754 3.4011 3.8916 3.9166 4.0551 4.0973 8.0421 8.0495 8.2468 8.2629 8.5706 8.6074 8.8540 8.9141 k =-0.2601 0.3420 0.6352 ( 4740 PWs) bands (ev): -7.9687 -7.9682 -7.8263 -7.8258 -7.5281 -7.5276 -7.3781 -7.3775 -3.5614 -3.5420 -3.5196 -3.5013 -2.9440 -2.9195 -2.8613 -2.8489 -2.8333 -2.8280 -0.5287 -0.4838 0.0469 0.0686 0.5035 0.5279 1.4698 1.5322 1.6525 1.6971 2.1018 2.1782 2.6273 2.7276 2.7476 2.7811 3.0356 3.0992 3.3307 3.3573 3.8891 3.9169 4.0688 4.1126 8.0372 8.0422 8.2597 8.2865 8.5409 8.5734 8.8623 8.9175 k =-0.2690 0.3537 0.6205 ( 4742 PWs) bands (ev): -7.9747 -7.9743 -7.8253 -7.8247 -7.5319 -7.5314 -7.3695 -7.3689 -3.5618 -3.5431 -3.5209 -3.5002 -2.9456 -2.9189 -2.8631 -2.8494 -2.8335 -2.8270 -0.5333 -0.4872 0.0774 0.0990 0.5309 0.5582 1.4569 1.5148 1.6689 1.7155 2.0863 2.1648 2.5925 2.6839 2.7403 2.7970 3.0266 3.0982 3.2893 3.3180 3.8866 3.9171 4.0819 4.1268 8.0162 8.0247 8.2870 8.3182 8.5122 8.5394 8.8764 8.9258 k =-0.2778 0.3654 0.6058 ( 4742 PWs) bands (ev): -7.9801 -7.9796 -7.8241 -7.8235 -7.5355 -7.5351 -7.3621 -7.3613 -3.5622 -3.5441 -3.5222 -3.4991 -2.9473 -2.9178 -2.8651 -2.8498 -2.8336 -2.8259 -0.5377 -0.4907 0.1043 0.1258 0.5558 0.5855 1.4462 1.4984 1.6861 1.7366 2.0741 2.1534 2.5441 2.6284 2.7462 2.8262 3.0155 3.0992 3.2520 3.2841 3.8840 3.9172 4.0940 4.1398 7.9924 8.0024 8.3186 8.3508 8.4857 8.5072 8.8941 8.9373 k =-0.2867 0.3771 0.5912 ( 4750 PWs) bands (ev): -7.9846 -7.9841 -7.8227 -7.8221 -7.5389 -7.5385 -7.3557 -7.3549 -3.5625 -3.5449 -3.5234 -3.4980 -2.9490 -2.9163 -2.8673 -2.8500 -2.8337 -2.8248 -0.5417 -0.4942 0.1271 0.1489 0.5771 0.6087 1.4385 1.4843 1.7035 1.7592 2.0658 2.1446 2.4912 2.5728 2.7565 2.8568 3.0023 3.1020 3.2191 3.2559 3.8814 3.9171 4.1051 4.1515 7.9704 7.9810 8.3488 8.3809 8.4626 8.4779 8.9131 8.9500 k =-0.2956 0.3888 0.5765 ( 4761 PWs) bands (ev): -7.9883 -7.9878 -7.8212 -7.8206 -7.5421 -7.5417 -7.3504 -7.3496 -3.5628 -3.5456 -3.5245 -3.4969 -2.9506 -2.9145 -2.8695 -2.8501 -2.8337 -2.8237 -0.5453 -0.4975 0.1457 0.1679 0.5937 0.6266 1.4343 1.4736 1.7211 1.7828 2.0618 2.1387 2.4379 2.5189 2.7682 2.8871 2.9877 3.1067 3.1910 3.2336 3.8787 3.9168 4.1149 4.1616 7.9522 7.9634 8.3743 8.4077 8.4441 8.4525 8.9304 8.9621 k =-0.3045 0.4005 0.5618 ( 4765 PWs) bands (ev): -7.9912 -7.9907 -7.8195 -7.8189 -7.5451 -7.5446 -7.3464 -7.3455 -3.5630 -3.5461 -3.5255 -3.4959 -2.9521 -2.9125 -2.8718 -2.8501 -2.8337 -2.8226 -0.5482 -0.5004 0.1595 0.1824 0.6049 0.6384 1.4330 1.4675 1.7386 1.8068 2.0625 2.1361 2.3861 2.4674 2.7801 2.9150 2.9741 3.1133 3.1679 3.2164 3.8758 3.9164 4.1235 4.1701 7.9394 7.9511 8.3908 8.4256 8.4327 8.4387 8.9433 8.9721 k =-0.3134 0.4121 0.5471 ( 4761 PWs) bands (ev): -7.9933 -7.9928 -7.8176 -7.8170 -7.5478 -7.5474 -7.3435 -7.3427 -3.5632 -3.5465 -3.5264 -3.4949 -2.9535 -2.9102 -2.8742 -2.8499 -2.8337 -2.8216 -0.5505 -0.5030 0.1684 0.1921 0.6102 0.6437 1.4334 1.4671 1.7558 1.8305 2.0683 2.1372 2.3371 2.4189 2.7916 2.9317 2.9714 3.1213 3.1500 3.2037 3.8728 3.9157 4.1306 4.1769 7.9326 7.9450 8.3931 8.4082 8.4434 8.4538 8.9490 8.9782 k =-0.3223 0.4238 0.5324 ( 4759 PWs) bands (ev): -7.9945 -7.9941 -7.8156 -7.8149 -7.5503 -7.5499 -7.3419 -7.3410 -3.5634 -3.5467 -3.5271 -3.4940 -2.9548 -2.9078 -2.8765 -2.8497 -2.8336 -2.8206 -0.5521 -0.5050 0.1719 0.1966 0.6098 0.6428 1.4343 1.4727 1.7725 1.8533 2.0790 2.1421 2.2924 2.3742 2.8028 2.9258 2.9920 3.1268 3.1416 3.1947 3.8697 3.9148 4.1363 4.1820 7.9323 7.9454 8.3881 8.3933 8.4569 8.4731 8.9464 8.9782 k =-0.3223 0.4238 0.5324 ( 4759 PWs) bands (ev): -7.9945 -7.9941 -7.8156 -7.8149 -7.5503 -7.5499 -7.3419 -7.3410 -3.5634 -3.5467 -3.5271 -3.4940 -2.9548 -2.9078 -2.8765 -2.8497 -2.8336 -2.8206 -0.5521 -0.5050 0.1719 0.1966 0.6098 0.6428 1.4343 1.4727 1.7725 1.8533 2.0790 2.1421 2.2924 2.3742 2.8028 2.9258 2.9920 3.1268 3.1416 3.1947 3.8697 3.9148 4.1363 4.1820 7.9323 7.9454 8.3881 8.3933 8.4569 8.4731 8.9464 8.9782 k =-0.3133 0.4121 0.5176 ( 4755 PWs) bands (ev): -8.0025 -8.0020 -7.8056 -7.8049 -7.5534 -7.5530 -7.3390 -7.3381 -3.5643 -3.5458 -3.5251 -3.4930 -2.9539 -2.9077 -2.8755 -2.8467 -2.8343 -2.8196 -0.5678 -0.5228 0.1943 0.2219 0.6230 0.6507 1.4061 1.4411 1.7539 1.8337 2.0696 2.1279 2.2742 2.3503 2.7877 2.9177 3.0101 3.0931 3.1610 3.1790 3.8828 3.9261 4.1521 4.1970 7.9889 8.0013 8.4292 8.4350 8.5119 8.5354 8.9641 8.9938 k =-0.3044 0.4003 0.5029 ( 4761 PWs) bands (ev): -8.0133 -8.0128 -7.7942 -7.7936 -7.5546 -7.5543 -7.3360 -7.3351 -3.5650 -3.5449 -3.5229 -3.4920 -2.9527 -2.9074 -2.8744 -2.8436 -2.8350 -2.8187 -0.5855 -0.5427 0.2074 0.2380 0.6491 0.6708 1.3778 1.4097 1.7358 1.8162 2.0619 2.1146 2.2526 2.3239 2.7744 2.9091 3.0263 3.0676 3.1522 3.2001 3.8908 3.9320 4.1658 4.2097 8.0471 8.0588 8.4643 8.4717 8.5614 8.5920 8.9791 9.0108 k =-0.2954 0.3885 0.4881 ( 4761 PWs) bands (ev): -8.0269 -8.0265 -7.7815 -7.7809 -7.5541 -7.5539 -7.3330 -7.3321 -3.5653 -3.5439 -3.5206 -3.4911 -2.9512 -2.9069 -2.8732 -2.8406 -2.8357 -2.8179 -0.6047 -0.5644 0.2118 0.2454 0.6865 0.7022 1.3495 1.3791 1.7185 1.8006 2.0559 2.1023 2.2281 2.2953 2.7622 2.8987 3.0229 3.0682 3.1441 3.2305 3.8936 3.9325 4.1772 4.2197 8.1063 8.1176 8.4938 8.5027 8.6055 8.6422 8.9918 9.0291 k =-0.2865 0.3767 0.4733 ( 4749 PWs) bands (ev): -8.0429 -8.0425 -7.7677 -7.7671 -7.5520 -7.5517 -7.3300 -7.3291 -3.5653 -3.5428 -3.5182 -3.4903 -2.9493 -2.9062 -2.8719 -2.8378 -2.8364 -2.8171 -0.6253 -0.5876 0.2096 0.2456 0.7318 0.7432 1.3217 1.3500 1.7019 1.7867 2.0514 2.0905 2.2021 2.2652 2.7506 2.8849 3.0101 3.0827 3.1470 3.2634 3.8910 3.9274 4.1861 4.2273 8.1659 8.1772 8.5180 8.5279 8.6448 8.6861 9.0031 9.0475 k =-0.2775 0.3650 0.4585 ( 4753 PWs) bands (ev): -8.0608 -8.0605 -7.7530 -7.7524 -7.5484 -7.5482 -7.3270 -7.3261 -3.5649 -3.5417 -3.5157 -3.4896 -2.9471 -2.9053 -2.8704 -2.8376 -2.8345 -2.8164 -0.6470 -0.6119 0.2028 0.2409 0.7806 0.7920 1.2950 1.3233 1.6863 1.7742 2.0470 2.0787 2.1767 2.2342 2.7398 2.8671 3.0035 3.0925 3.1642 3.2982 3.8829 3.9171 4.1922 4.2322 8.2250 8.2366 8.5374 8.5477 8.6806 8.7243 9.0134 9.0646 k =-0.2686 0.3532 0.4437 ( 4749 PWs) bands (ev): -8.0804 -8.0801 -7.7375 -7.7369 -7.5437 -7.5434 -7.3240 -7.3230 -3.5642 -3.5404 -3.5131 -3.4890 -2.9445 -2.9042 -2.8688 -2.8384 -2.8317 -2.8158 -0.6694 -0.6370 0.1933 0.2330 0.8296 0.8458 1.2705 1.3003 1.6715 1.7627 2.0391 2.0674 2.1550 2.2037 2.7300 2.8471 3.0040 3.0980 3.1920 3.3348 3.8696 3.9017 4.1954 4.2347 8.2826 8.2950 8.5522 8.5624 8.7143 8.7583 9.0226 9.0792 k =-0.2596 0.3414 0.4289 ( 4749 PWs) bands (ev): -8.1014 -8.1011 -7.7213 -7.7208 -7.5380 -7.5376 -7.3209 -7.3200 -3.5632 -3.5391 -3.5105 -3.4885 -2.9417 -2.9029 -2.8671 -2.8394 -2.8290 -2.8153 -0.6924 -0.6628 0.1823 0.2234 0.8761 0.9005 1.2498 1.2830 1.6575 1.7518 2.0216 2.0587 2.1391 2.1756 2.7222 2.8274 3.0098 3.1025 3.2255 3.3728 3.8511 3.8814 4.1956 4.2349 8.3375 8.3506 8.5627 8.5730 8.7479 8.7897 9.0301 9.0904 k =-0.2507 0.3296 0.4141 ( 4753 PWs) bands (ev): -8.1233 -8.1231 -7.7047 -7.7041 -7.5314 -7.5309 -7.3179 -7.3170 -3.5619 -3.5377 -3.5079 -3.4881 -2.9386 -2.9015 -2.8653 -2.8404 -2.8264 -2.8148 -0.7157 -0.6888 0.1708 0.2132 0.9169 0.9512 1.2360 1.2743 1.6441 1.7412 1.9947 2.0495 2.1290 2.1532 2.7176 2.8100 3.0192 3.1069 3.2620 3.4121 3.8277 3.8568 4.1930 4.2330 8.3879 8.4011 8.5693 8.5810 8.7832 8.8209 9.0348 9.0974 k =-0.2417 0.3179 0.3993 ( 4751 PWs) bands (ev): -8.1459 -8.1458 -7.6876 -7.6871 -7.5241 -7.5236 -7.3150 -7.3141 -3.5603 -3.5361 -3.5053 -3.4877 -2.9351 -2.9000 -2.8635 -2.8414 -2.8240 -2.8145 -0.7390 -0.7148 0.1593 0.2029 0.9480 0.9920 1.2342 1.2775 1.6312 1.7306 1.9625 2.0336 2.1233 2.1395 2.7175 2.7967 3.0305 3.1110 3.3006 3.4522 3.7999 3.8283 4.1877 4.2294 8.4305 8.4420 8.5736 8.5895 8.8215 8.8539 9.0356 9.0991 k =-0.2328 0.3061 0.3845 ( 4743 PWs) bands (ev): -8.1691 -8.1689 -7.6703 -7.6698 -7.5163 -7.5158 -7.3120 -7.3112 -3.5584 -3.5345 -3.5027 -3.4875 -2.9314 -2.8983 -2.8616 -2.8424 -2.8217 -2.8143 -0.7623 -0.7407 0.1484 0.1930 0.9664 1.0161 1.2505 1.2948 1.6187 1.7198 1.9278 2.0099 2.1210 2.1335 2.7229 2.7886 3.0428 3.1142 3.3405 3.4928 3.7683 3.7967 4.1801 4.2246 8.4576 8.4675 8.5805 8.6044 8.8629 8.8907 9.0310 9.0935 k =-0.2238 0.2943 0.3697 ( 4745 PWs) bands (ev): -8.1925 -8.1924 -7.6529 -7.6524 -7.5081 -7.5075 -7.3091 -7.3083 -3.5563 -3.5328 -3.5003 -3.4873 -2.9275 -2.8964 -2.8598 -2.8435 -2.8196 -2.8141 -0.7853 -0.7662 0.1382 0.1840 0.9727 1.0225 1.2856 1.3249 1.6066 1.7085 1.8924 1.9812 2.1199 2.1323 2.7348 2.7868 3.0552 3.1157 3.3812 3.5328 3.7334 3.7632 4.1706 4.2192 8.4602 8.4726 8.5980 8.6292 8.9044 8.9315 9.0200 9.0758 k =-0.2149 0.2826 0.3550 ( 4745 PWs) bands (ev): -8.2160 -8.2159 -7.6353 -7.6348 -7.4996 -7.4990 -7.3063 -7.3055 -3.5540 -3.5311 -3.4979 -3.4872 -2.9234 -2.8945 -2.8580 -2.8446 -2.8177 -2.8141 -0.8079 -0.7911 0.1291 0.1759 0.9700 1.0169 1.3331 1.3639 1.5948 1.6967 1.8576 1.9503 2.1182 2.1337 2.7538 2.7917 3.0670 3.1150 3.4223 3.5700 3.6964 3.7303 4.1597 4.2137 8.4410 8.4559 8.6268 8.6603 8.9276 8.9716 9.0138 9.0403 k =-0.2059 0.2708 0.3402 ( 4739 PWs) bands (ev): -8.2394 -8.2393 -7.6177 -7.6173 -7.4909 -7.4902 -7.3036 -7.3028 -3.5514 -3.5293 -3.4957 -3.4872 -2.9191 -2.8924 -2.8562 -2.8456 -2.8161 -2.8141 -0.8300 -0.8154 0.1212 0.1691 0.9619 1.0054 1.3863 1.4070 1.5838 1.6842 1.8242 1.9189 2.1154 2.1357 2.7796 2.8036 3.0776 3.1119 3.4628 3.5962 3.6587 3.7062 4.1481 4.2087 8.4054 8.4218 8.6602 8.6925 8.8947 8.9479 9.0412 9.0460 k =-0.1969 0.2590 0.3254 ( 4735 PWs) bands (ev): -8.2626 -8.2625 -7.6002 -7.5998 -7.4821 -7.4814 -7.3009 -7.3001 -3.5487 -3.5275 -3.4937 -3.4872 -2.9146 -2.8901 -2.8546 -2.8466 -2.8151 -2.8138 -0.8513 -0.8388 0.1145 0.1636 0.9512 0.9917 1.4401 1.4497 1.5746 1.6713 1.7933 1.8883 2.1120 2.1371 2.8116 2.8222 3.0856 3.1075 3.5000 3.5943 3.6223 3.7102 4.1364 4.2048 8.3562 8.3739 8.6920 8.7198 8.8268 8.8653 9.0826 9.0966 k =-0.1880 0.2472 0.3106 ( 4747 PWs) bands (ev): -8.2854 -8.2854 -7.5829 -7.5825 -7.4733 -7.4726 -7.2983 -7.2976 -3.5459 -3.5256 -3.4918 -3.4873 -2.9100 -2.8878 -2.8531 -2.8476 -2.8150 -2.8128 -0.8719 -0.8612 0.1093 0.1594 0.9398 0.9778 1.4807 1.4951 1.5702 1.6592 1.7661 1.8596 2.1080 2.1373 2.8422 2.8527 3.0850 3.1083 3.5189 3.5752 3.5943 3.7402 4.1255 4.2025 8.2949 8.3137 8.6944 8.7147 8.7704 8.8016 9.1071 9.1464 k =-0.1790 0.2355 0.2958 ( 4745 PWs) bands (ev): -8.3078 -8.3077 -7.5658 -7.5654 -7.4646 -7.4639 -7.2958 -7.2951 -3.5429 -3.5238 -3.4902 -3.4873 -2.9053 -2.8853 -2.8517 -2.8484 -2.8153 -2.8117 -0.8917 -0.8826 0.1054 0.1566 0.9287 0.9649 1.4976 1.5382 1.5768 1.6516 1.7444 1.8344 2.1041 2.1363 2.8679 2.8946 3.0747 3.1179 3.4971 3.5416 3.6132 3.7790 4.1160 4.2021 8.2229 8.2427 8.6154 8.6359 8.7796 8.8103 9.1159 9.1703 k =-0.1701 0.2237 0.2810 ( 4757 PWs) bands (ev): -8.3296 -8.3296 -7.5489 -7.5486 -7.4560 -7.4552 -7.2934 -7.2928 -3.5399 -3.5220 -3.4891 -3.4870 -2.9005 -2.8828 -2.8510 -2.8488 -2.8158 -2.8108 -0.9105 -0.9028 0.1030 0.1552 0.9188 0.9536 1.4963 1.5556 1.5986 1.6535 1.7317 1.8158 2.1003 2.1343 2.8917 2.9376 3.0619 3.1331 3.4597 3.5046 3.6509 3.8202 4.1085 4.2041 8.1415 8.1619 8.5172 8.5340 8.8033 8.8334 9.1252 9.1794 k =-0.1611 0.2119 0.2662 ( 4757 PWs) bands (ev): -8.3507 -8.3507 -7.5325 -7.5322 -7.4475 -7.4468 -7.2911 -7.2906 -3.5369 -3.5202 -3.4886 -3.4863 -2.8957 -2.8801 -2.8512 -2.8482 -2.8164 -2.8101 -0.9285 -0.9218 0.1020 0.1552 0.9106 0.9443 1.4863 1.5475 1.6190 1.6581 1.7351 1.8089 2.0972 2.1314 2.9103 2.9710 3.0571 3.1546 3.4212 3.4707 3.6919 3.8617 4.1037 4.2083 8.0519 8.0728 8.4162 8.4298 8.8203 8.8535 9.1396 9.1906 k =-0.1522 0.2001 0.2514 ( 4761 PWs) bands (ev): -8.3711 -8.3711 -7.5165 -7.5162 -7.4393 -7.4386 -7.2890 -7.2885 -3.5338 -3.5185 -3.4885 -3.4854 -2.8910 -2.8774 -2.8518 -2.8472 -2.8171 -2.8095 -0.9454 -0.9395 0.1024 0.1564 0.9043 0.9373 1.4727 1.5295 1.6226 1.6538 1.7554 1.8178 2.0948 2.1279 2.9213 2.9761 3.0768 3.1810 3.3874 3.4434 3.7335 3.9026 4.1020 4.2148 7.9556 7.9766 8.3158 8.3267 8.8258 8.8649 9.1613 9.2083 k =-0.1432 0.1884 0.2366 ( 4769 PWs) bands (ev): -8.3907 -8.3907 -7.5009 -7.5007 -7.4313 -7.4306 -7.2870 -7.2865 -3.5307 -3.5169 -3.4886 -3.4846 -2.8864 -2.8747 -2.8524 -2.8462 -2.8179 -2.8092 -0.9614 -0.9559 0.1042 0.1589 0.9003 0.9328 1.4573 1.5081 1.6138 1.6400 1.7820 1.8395 2.0934 2.1239 2.9245 2.9602 3.1094 3.2042 3.3672 3.4282 3.7752 3.9421 4.1038 4.2234 7.8539 7.8747 8.2178 8.2264 8.8180 8.8632 9.1911 9.2348 k =-0.1343 0.1766 0.2218 ( 4761 PWs) bands (ev): -8.4094 -8.4094 -7.4860 -7.4858 -7.4237 -7.4230 -7.2851 -7.2847 -3.5277 -3.5153 -3.4887 -3.4839 -2.8819 -2.8719 -2.8530 -2.8452 -2.8189 -2.8090 -0.9764 -0.9711 0.1073 0.1624 0.8987 0.9311 1.4408 1.4859 1.5993 1.6211 1.8068 1.8665 2.0932 2.1196 2.9220 2.9384 3.1336 3.2078 3.3753 3.4325 3.8168 3.9795 4.1097 4.2337 7.7481 7.7685 8.1230 8.1297 8.7973 8.8466 9.2288 9.2705 k =-0.1253 0.1648 0.2071 ( 4765 PWs) bands (ev): -8.4271 -8.4271 -7.4716 -7.4714 -7.4164 -7.4158 -7.2834 -7.2830 -3.5248 -3.5138 -3.4889 -3.4835 -2.8776 -2.8691 -2.8535 -2.8443 -2.8199 -2.8090 -0.9902 -0.9849 0.1116 0.1669 0.8997 0.9322 1.4236 1.4642 1.5811 1.6009 1.8263 1.8928 2.0943 2.1153 2.9147 2.9175 3.1401 3.1888 3.4129 3.4606 3.8580 4.0139 4.1201 4.2454 7.6394 7.6592 8.0323 8.0373 8.7656 8.8161 9.2732 9.3143 k =-0.1164 0.1530 0.1923 ( 4763 PWs) bands (ev): -8.4439 -8.4438 -7.4579 -7.4578 -7.4095 -7.4089 -7.2818 -7.2814 -3.5219 -3.5123 -3.4890 -3.4832 -2.8735 -2.8664 -2.8539 -2.8432 -2.8210 -2.8092 -1.0030 -0.9977 0.1170 0.1722 0.9032 0.9362 1.4062 1.4436 1.5597 1.5818 1.8390 1.9147 2.0968 2.1116 2.8953 2.9097 3.1308 3.1593 3.4667 3.5084 3.8990 4.0444 4.1354 4.2581 7.5292 7.5481 7.9462 7.9498 8.7253 8.7747 9.3227 9.3641 k =-0.1074 0.1413 0.1775 ( 4765 PWs) bands (ev): -8.4596 -8.4595 -7.4450 -7.4449 -7.4030 -7.4024 -7.2803 -7.2800 -3.5192 -3.5110 -3.4891 -3.4831 -2.8698 -2.8638 -2.8540 -2.8422 -2.8222 -2.8095 -1.0147 -1.0092 0.1234 0.1781 0.9094 0.9430 1.3889 1.4243 1.5360 1.5642 1.8442 1.9294 2.1004 2.1097 2.8783 2.9034 3.1121 3.1271 3.5281 3.5676 3.9400 4.0710 4.1557 4.2713 7.4186 7.4365 7.8652 7.8676 8.6790 8.7258 9.3756 9.4182 k =-0.0985 0.1295 0.1627 ( 4765 PWs) bands (ev): -8.4741 -8.4741 -7.4328 -7.4327 -7.3969 -7.3964 -7.2791 -7.2788 -3.5165 -3.5097 -3.4892 -3.4832 -2.8663 -2.8615 -2.8540 -2.8410 -2.8234 -2.8099 -1.0252 -1.0197 0.1307 0.1843 0.9182 0.9528 1.3720 1.4064 1.5114 1.5475 1.8420 1.9351 2.1042 2.1110 2.8655 2.8989 3.0888 3.0955 3.5923 3.6318 3.9812 4.0948 4.1795 4.2848 7.3087 7.3255 7.7897 7.7910 8.6291 8.6725 9.4304 9.4750 k =-0.0895 0.1177 0.1479 ( 4767 PWs) bands (ev): -8.4876 -8.4875 -7.4215 -7.4214 -7.3913 -7.3908 -7.2779 -7.2777 -3.5141 -3.5085 -3.4892 -3.4835 -2.8632 -2.8596 -2.8538 -2.8396 -2.8246 -2.8104 -1.0346 -1.0292 0.1387 0.1906 0.9295 0.9653 1.3560 1.3899 1.4866 1.5312 1.8331 1.9313 2.1081 2.1153 2.8572 2.8964 3.0627 3.0677 3.6564 3.6969 4.0229 4.1176 4.2050 4.2982 7.2007 7.2163 7.7198 7.7205 8.5778 8.6173 9.4859 9.5329 k =-0.0806 0.1060 0.1331 ( 4771 PWs) bands (ev): -8.4998 -8.4998 -7.4110 -7.4109 -7.3862 -7.3857 -7.2770 -7.2768 -3.5118 -3.5073 -3.4893 -3.4840 -2.8604 -2.8582 -2.8534 -2.8382 -2.8257 -2.8110 -1.0430 -1.0377 0.1471 0.1969 0.9432 0.9806 1.3410 1.3749 1.4620 1.5151 1.8188 1.9190 2.1128 2.1208 2.8532 2.8959 3.0360 3.0440 3.7178 3.7596 4.0657 4.1414 4.2307 4.3110 7.0959 7.1101 7.6557 7.6563 8.5269 8.5624 9.5412 9.5907 k =-0.0716 0.0942 0.1183 ( 4771 PWs) bands (ev): -8.5109 -8.5108 -7.4015 -7.4014 -7.3816 -7.3811 -7.2762 -7.2760 -3.5096 -3.5062 -3.4894 -3.4845 -2.8578 -2.8572 -2.8527 -2.8368 -2.8267 -2.8116 -1.0503 -1.0452 0.1559 0.2028 0.9591 0.9982 1.3271 1.3614 1.4379 1.4990 1.8007 1.9000 2.1180 2.1262 2.8529 2.8968 3.0121 3.0230 3.7746 3.8173 4.1098 4.1676 4.2553 4.3231 6.9954 7.0082 7.5976 7.5987 8.4779 8.5094 9.5951 9.6468 k =-0.0627 0.0824 0.1035 ( 4771 PWs) bands (ev): -8.5207 -8.5207 -7.3929 -7.3928 -7.3775 -7.3771 -7.2755 -7.2753 -3.5077 -3.5051 -3.4894 -3.4852 -2.8565 -2.8556 -2.8520 -2.8358 -2.8272 -2.8123 -1.0565 -1.0518 0.1649 0.2081 0.9770 1.0180 1.3142 1.3498 1.4145 1.4826 1.7805 1.8766 2.1230 2.1311 2.8552 2.8982 2.9919 3.0049 3.8251 3.8676 4.1550 4.1971 4.2783 4.3343 6.9007 6.9121 7.5461 7.5475 8.4322 8.4597 9.6469 9.6996 k =-0.0537 0.0706 0.0887 ( 4765 PWs) bands (ev): -8.5292 -8.5292 -7.3854 -7.3852 -7.3739 -7.3735 -7.2750 -7.2748 -3.5060 -3.5041 -3.4895 -3.4859 -2.8558 -2.8538 -2.8513 -2.8355 -2.8269 -2.8130 -1.0618 -1.0575 0.1738 0.2126 0.9965 1.0393 1.3019 1.3406 1.3920 1.4655 1.7602 1.8505 2.1274 2.1350 2.8591 2.8989 2.9764 2.9903 3.8686 3.9091 4.2005 4.2297 4.2994 4.3442 6.8133 6.8232 7.5013 7.5028 8.3909 8.4143 9.6956 9.7476 k =-0.0448 0.0589 0.0739 ( 4765 PWs) bands (ev): -8.5365 -8.5365 -7.3789 -7.3788 -7.3708 -7.3705 -7.2746 -7.2744 -3.5045 -3.5031 -3.4896 -3.4867 -2.8553 -2.8527 -2.8502 -2.8360 -2.8259 -2.8138 -1.0661 -1.0624 0.1824 0.2162 1.0172 1.0612 1.2900 1.3342 1.3706 1.4475 1.7416 1.8235 2.1311 2.1380 2.8633 2.8979 2.9661 2.9794 3.9047 3.9412 4.2446 4.2637 4.3187 4.3528 6.7348 6.7432 7.4633 7.4648 8.3548 8.3742 9.7405 9.7888 k =-0.0358 0.0471 0.0592 ( 4761 PWs) bands (ev): -8.5425 -8.5425 -7.3735 -7.3734 -7.3682 -7.3680 -7.2743 -7.2742 -3.5032 -3.5023 -3.4897 -3.4875 -2.8547 -2.8522 -2.8487 -2.8370 -2.8245 -2.8146 -1.0694 -1.0664 0.1905 0.2185 1.0385 1.0825 1.2791 1.3308 1.3507 1.4285 1.7265 1.7970 2.1340 2.1400 2.8670 2.8947 2.9606 2.9721 3.9338 3.9645 4.2847 4.2962 4.3367 4.3603 6.6671 6.6739 7.4322 7.4336 8.3246 8.3402 9.7807 9.8216 k =-0.0269 0.0353 0.0444 ( 4761 PWs) bands (ev): -8.5471 -8.5471 -7.3693 -7.3692 -7.3663 -7.3661 -7.2741 -7.2740 -3.5022 -3.5015 -3.4898 -3.4882 -2.8541 -2.8521 -2.8472 -2.8383 -2.8229 -2.8155 -1.0720 -1.0696 0.1980 0.2196 1.0598 1.1010 1.2704 1.3269 1.3358 1.4089 1.7162 1.7723 2.1364 2.1411 2.8700 2.8900 2.9588 2.9678 3.9566 3.9803 4.3169 4.3237 4.3544 4.3670 6.6121 6.6172 7.4080 7.4092 8.3010 8.3127 9.8154 9.8450 k =-0.0179 0.0235 0.0296 ( 4769 PWs) bands (ev): -8.5505 -8.5505 -7.3662 -7.3661 -7.3648 -7.3647 -7.2740 -7.2739 -3.5014 -3.5009 -3.4898 -3.4888 -2.8536 -2.8521 -2.8457 -2.8397 -2.8214 -2.8164 -1.0736 -1.0720 0.2046 0.2193 1.0801 1.1136 1.2664 1.3112 1.3373 1.3895 1.7115 1.7506 2.1382 2.1415 2.8724 2.8851 2.9592 2.9653 3.9735 3.9895 4.3368 4.3437 4.3714 4.3749 6.5714 6.5749 7.3908 7.3916 8.2844 8.2921 9.8438 9.8598 k =-0.0090 0.0118 0.0148 ( 4773 PWs) bands (ev): -8.5525 -8.5525 -7.3644 -7.3644 -7.3639 -7.3638 -7.2739 -7.2739 -3.5009 -3.5006 -3.4898 -3.4893 -2.8531 -2.8524 -2.8441 -2.8412 -2.8200 -2.8175 -1.0744 -1.0736 0.2101 0.2176 1.0979 1.1172 1.2694 1.2944 1.3449 1.3716 1.7129 1.7330 2.1396 2.1413 2.8746 2.8808 2.9605 2.9636 3.9850 3.9931 4.3476 4.3525 4.3836 4.3839 6.5467 6.5484 7.3805 7.3810 8.2751 8.2789 9.8640 9.8678 k = 0.0000 0.0000 0.0000 ( 4787 PWs) bands (ev): -8.5531 -8.5531 -7.3639 -7.3639 -7.3635 -7.3635 -7.2739 -7.2739 -3.5006 -3.5006 -3.4896 -3.4896 -2.8527 -2.8527 -2.8426 -2.8426 -2.8187 -2.8187 -1.0744 -1.0744 0.2145 0.2145 1.1112 1.1112 1.2796 1.2796 1.3565 1.3565 1.7202 1.7202 2.1406 2.1406 2.8773 2.8773 2.9621 2.9621 3.9916 3.9916 4.3528 4.3528 4.3880 4.3880 6.5389 6.5389 7.3773 7.3773 8.2732 8.2732 9.8705 9.8705 k = 0.0000 0.0000 0.0000 ( 4787 PWs) bands (ev): -8.5531 -8.5531 -7.3639 -7.3639 -7.3635 -7.3635 -7.2739 -7.2739 -3.5006 -3.5006 -3.4896 -3.4896 -2.8527 -2.8527 -2.8426 -2.8426 -2.8187 -2.8187 -1.0744 -1.0744 0.2145 0.2145 1.1112 1.1112 1.2796 1.2796 1.3565 1.3565 1.7202 1.7202 2.1406 2.1406 2.8773 2.8773 2.9621 2.9621 3.9916 3.9916 4.3528 4.3528 4.3880 4.3880 6.5389 6.5389 7.3773 7.3773 8.2732 8.2732 9.8705 9.8705 k = 0.0167 0.0127-0.0000 ( 4759 PWs) bands (ev): -8.5524 -8.5524 -7.3639 -7.3639 -7.3635 -7.3635 -7.2749 -7.2749 -3.5009 -3.5009 -3.4895 -3.4895 -2.8536 -2.8536 -2.8420 -2.8420 -2.8187 -2.8187 -1.0729 -1.0729 0.2108 0.2108 1.1159 1.1159 1.2807 1.2807 1.3578 1.3578 1.7163 1.7163 2.1454 2.1454 2.8783 2.8783 2.9631 2.9631 3.9888 3.9888 4.3484 4.3484 4.3861 4.3861 6.5441 6.5441 7.3812 7.3812 8.2741 8.2741 9.8515 9.8515 k = 0.0333 0.0253-0.0000 ( 4743 PWs) bands (ev): -8.5503 -8.5503 -7.3640 -7.3640 -7.3636 -7.3636 -7.2781 -7.2781 -3.5018 -3.5018 -3.4894 -3.4894 -2.8560 -2.8560 -2.8405 -2.8405 -2.8188 -2.8188 -1.0686 -1.0686 0.2001 0.2001 1.1295 1.1295 1.2843 1.2843 1.3617 1.3617 1.7054 1.7054 2.1593 2.1593 2.8813 2.8813 2.9661 2.9661 3.9804 3.9804 4.3358 4.3358 4.3805 4.3805 6.5596 6.5596 7.3928 7.3928 8.2767 8.2767 9.8003 9.8003 k = 0.0500 0.0380-0.0000 ( 4759 PWs) bands (ev): -8.5467 -8.5467 -7.3642 -7.3642 -7.3637 -7.3637 -7.2834 -7.2834 -3.5031 -3.5031 -3.4891 -3.4891 -2.8591 -2.8591 -2.8389 -2.8389 -2.8191 -2.8191 -1.0614 -1.0614 0.1830 0.1830 1.1511 1.1511 1.2902 1.2902 1.3684 1.3684 1.6888 1.6888 2.1808 2.1808 2.8862 2.8862 2.9710 2.9710 3.9663 3.9663 4.3154 4.3154 4.3711 4.3711 6.5849 6.5849 7.4120 7.4120 8.2809 8.2809 9.7268 9.7268 k = 0.0667 0.0507-0.0000 ( 4759 PWs) bands (ev): -8.5418 -8.5418 -7.3644 -7.3644 -7.3639 -7.3639 -7.2907 -7.2907 -3.5048 -3.5048 -3.4890 -3.4890 -2.8625 -2.8625 -2.8375 -2.8375 -2.8194 -2.8194 -1.0514 -1.0514 0.1607 0.1607 1.1791 1.1791 1.2988 1.2988 1.3779 1.3779 1.6681 1.6681 2.2085 2.2085 2.8931 2.8931 2.9779 2.9779 3.9464 3.9464 4.2884 4.2884 4.3581 4.3581 6.6191 6.6191 7.4386 7.4386 8.2867 8.2867 9.6384 9.6384 k = 0.0833 0.0634-0.0000 ( 4752 PWs) bands (ev): -8.5354 -8.5354 -7.3646 -7.3646 -7.3642 -7.3642 -7.3001 -7.3001 -3.5069 -3.5069 -3.4889 -3.4889 -2.8662 -2.8662 -2.8363 -2.8363 -2.8197 -2.8197 -1.0388 -1.0388 0.1343 0.1343 1.2112 1.2112 1.3106 1.3106 1.3905 1.3905 1.6451 1.6451 2.2407 2.2407 2.9017 2.9017 2.9866 2.9866 3.9207 3.9207 4.2561 4.2561 4.3417 4.3417 6.6612 6.6612 7.4722 7.4722 8.2941 8.2941 9.5395 9.5395 k = 0.1000 0.0760-0.0000 ( 4752 PWs) bands (ev): -8.5276 -8.5276 -7.3649 -7.3649 -7.3645 -7.3645 -7.3115 -7.3115 -3.5091 -3.5091 -3.4890 -3.4890 -2.8701 -2.8701 -2.8355 -2.8355 -2.8201 -2.8201 -1.0237 -1.0237 0.1050 0.1050 1.2443 1.2443 1.3265 1.3265 1.4068 1.4068 1.6210 1.6210 2.2764 2.2764 2.9122 2.9122 2.9970 2.9970 3.8891 3.8891 4.2200 4.2200 4.3220 4.3220 6.7102 6.7102 7.5124 7.5124 8.3028 8.3028 9.4330 9.4330 k = 0.1167 0.0887-0.0000 ( 4756 PWs) bands (ev): -8.5184 -8.5184 -7.3653 -7.3653 -7.3649 -7.3649 -7.3247 -7.3247 -3.5115 -3.5115 -3.4893 -3.4893 -2.8740 -2.8740 -2.8351 -2.8351 -2.8205 -2.8205 -1.0064 -1.0064 0.0738 0.0738 1.2744 1.2744 1.3478 1.3478 1.4277 1.4277 1.5973 1.5973 2.3145 2.3145 2.9242 2.9242 3.0090 3.0090 3.8517 3.8517 4.1813 4.1813 4.2993 4.2993 6.7651 6.7651 7.5584 7.5584 8.3127 8.3127 9.3212 9.3212 k = 0.1333 0.1014-0.0000 ( 4756 PWs) bands (ev): -8.5079 -8.5079 -7.3657 -7.3657 -7.3653 -7.3653 -7.3399 -7.3399 -3.5141 -3.5141 -3.4898 -3.4898 -2.8780 -2.8780 -2.8351 -2.8351 -2.8210 -2.8210 -0.9870 -0.9870 0.0416 0.0416 1.2985 1.2985 1.3743 1.3743 1.4545 1.4545 1.5756 1.5756 2.3544 2.3544 2.9378 2.9378 3.0225 3.0225 3.8089 3.8089 4.1413 4.1413 4.2739 4.2739 6.8250 6.8250 7.6094 7.6094 8.3236 8.3236 9.2056 9.2056 k = 0.1500 0.1141-0.0000 ( 4764 PWs) bands (ev): -8.4960 -8.4960 -7.3662 -7.3662 -7.3659 -7.3659 -7.3567 -7.3567 -3.5167 -3.5167 -3.4904 -3.4904 -2.8820 -2.8820 -2.8354 -2.8354 -2.8215 -2.8215 -0.9658 -0.9658 0.0091 0.0091 1.3165 1.3165 1.4026 1.4026 1.4866 1.4866 1.5591 1.5591 2.3956 2.3956 2.9527 2.9527 3.0372 3.0372 3.7612 3.7612 4.1008 4.1008 4.2460 4.2460 6.8891 6.8891 7.6645 7.6645 8.3352 8.3352 9.0878 9.0878 k = 0.1667 0.1267-0.0000 ( 4772 PWs) bands (ev): -8.4828 -8.4828 -7.3758 -7.3758 -7.3666 -7.3666 -7.3660 -7.3660 -3.5194 -3.5194 -3.4913 -3.4913 -2.8859 -2.8859 -2.8360 -2.8360 -2.8221 -2.8221 -0.9432 -0.9432 -0.0229 -0.0229 1.3295 1.3295 1.4298 1.4298 1.5118 1.5118 1.5613 1.5613 2.4375 2.4375 2.9687 2.9687 3.0530 3.0530 3.7093 3.7093 4.0604 4.0604 4.2160 4.2160 6.9567 6.9567 7.7224 7.7224 8.3473 8.3473 8.9689 8.9689 k = 0.1833 0.1394-0.0000 ( 4772 PWs) bands (ev): -8.4683 -8.4683 -7.3960 -7.3960 -7.3671 -7.3671 -7.3667 -7.3667 -3.5221 -3.5221 -3.4923 -3.4923 -2.8897 -2.8897 -2.8369 -2.8369 -2.8228 -2.8228 -0.9194 -0.9194 -0.0541 -0.0541 1.3372 1.3372 1.4556 1.4556 1.5148 1.5148 1.5976 1.5976 2.4799 2.4799 2.9857 2.9857 3.0695 3.0695 3.6544 3.6544 4.0206 4.0206 4.1842 4.1842 7.0272 7.0272 7.7816 7.7816 8.3595 8.3595 8.8500 8.8500 k = 0.2000 0.1521-0.0000 ( 4772 PWs) bands (ev): -8.4525 -8.4525 -7.4178 -7.4178 -7.3677 -7.3677 -7.3672 -7.3672 -3.5248 -3.5248 -3.4934 -3.4934 -2.8935 -2.8935 -2.8379 -2.8379 -2.8237 -2.8237 -0.8948 -0.8948 -0.0838 -0.0838 1.3387 1.3387 1.4801 1.4801 1.5165 1.5165 1.6470 1.6470 2.5225 2.5225 3.0034 3.0034 3.0863 3.0863 3.5975 3.5975 3.9816 3.9816 4.1511 4.1511 7.1000 7.1000 7.8401 7.8401 8.3714 8.3714 8.7319 8.7319 k = 0.2167 0.1648-0.0000 ( 4756 PWs) bands (ev): -8.4355 -8.4355 -7.4410 -7.4410 -7.3682 -7.3682 -7.3678 -7.3678 -3.5274 -3.5274 -3.4946 -3.4946 -2.8971 -2.8971 -2.8390 -2.8390 -2.8246 -2.8246 -0.8699 -0.8699 -0.1117 -0.1117 1.3338 1.3338 1.5023 1.5024 1.5268 1.5268 1.6999 1.6999 2.5648 2.5648 3.0214 3.0214 3.1029 3.1029 3.5398 3.5398 3.9437 3.9437 4.1171 4.1171 7.1747 7.1747 7.8957 7.8957 8.3828 8.3828 8.6157 8.6157 k = 0.2333 0.1774-0.0000 ( 4756 PWs) bands (ev): -8.4173 -8.4173 -7.4656 -7.4656 -7.3688 -7.3688 -7.3684 -7.3684 -3.5300 -3.5300 -3.4960 -3.4960 -2.9005 -2.9005 -2.8403 -2.8403 -2.8257 -2.8257 -0.8450 -0.8450 -0.1374 -0.1374 1.3239 1.3239 1.5223 1.5223 1.5463 1.5463 1.7538 1.7538 2.6067 2.6067 3.0394 3.0394 3.1188 3.1188 3.4825 3.4825 3.9073 3.9073 4.0826 4.0826 7.2507 7.2507 7.9455 7.9455 8.3923 8.3923 8.5026 8.5026 k = 0.2500 0.1901-0.0000 ( 4760 PWs) bands (ev): -8.3979 -8.3979 -7.4914 -7.4914 -7.3694 -7.3694 -7.3690 -7.3690 -3.5325 -3.5325 -3.4974 -3.4974 -2.9037 -2.9037 -2.8415 -2.8415 -2.8270 -2.8270 -0.8208 -0.8208 -0.1605 -0.1605 1.3107 1.3108 1.5426 1.5426 1.5709 1.5709 1.8072 1.8072 2.6480 2.6480 3.0571 3.0571 3.1329 3.1329 3.4271 3.4271 3.8726 3.8726 4.0481 4.0481 7.3272 7.3272 7.9864 7.9864 8.3759 8.3759 8.4006 8.4006 k = 0.2667 0.2028-0.0000 ( 4752 PWs) bands (ev): -8.3775 -8.3775 -7.5183 -7.5183 -7.3699 -7.3699 -7.3695 -7.3695 -3.5349 -3.5349 -3.4989 -3.4989 -2.9068 -2.9068 -2.8428 -2.8428 -2.8283 -2.8283 -0.7975 -0.7975 -0.1807 -0.1807 1.2961 1.2961 1.5648 1.5648 1.5975 1.5975 1.8593 1.8593 2.6882 2.6882 3.0740 3.0740 3.1441 3.1441 3.3752 3.3752 3.8403 3.8403 4.0142 4.0142 7.4032 7.4032 8.0152 8.0152 8.2788 8.2788 8.3028 8.3028 k = 0.2833 0.2154-0.0000 ( 4744 PWs) bands (ev): -8.3559 -8.3559 -7.5462 -7.5462 -7.3705 -7.3705 -7.3701 -7.3701 -3.5372 -3.5372 -3.5005 -3.5005 -2.9096 -2.9096 -2.8441 -2.8441 -2.8297 -2.8297 -0.7758 -0.7758 -0.1976 -0.1976 1.2809 1.2809 1.5888 1.5888 1.6249 1.6249 1.9091 1.9091 2.7273 2.7273 3.0895 3.0895 3.1504 3.1504 3.3292 3.3292 3.8107 3.8107 3.9814 3.9814 7.4773 7.4773 8.0299 8.0299 8.1767 8.1767 8.2020 8.2020 k = 0.3000 0.2281-0.0000 ( 4744 PWs) bands (ev): -8.3333 -8.3333 -7.5749 -7.5749 -7.3711 -7.3711 -7.3707 -7.3707 -3.5394 -3.5394 -3.5020 -3.5020 -2.9122 -2.9122 -2.8453 -2.8453 -2.8313 -2.8313 -0.7561 -0.7561 -0.2112 -0.2112 1.2660 1.2660 1.6139 1.6139 1.6526 1.6526 1.9561 1.9561 2.7649 2.7649 3.1029 3.1029 3.1490 3.1490 3.2923 3.2923 3.7846 3.7846 3.9501 3.9501 7.5470 7.5470 8.0303 8.0303 8.0800 8.0800 8.1061 8.1061 k = 0.3167 0.2408-0.0000 ( 4736 PWs) bands (ev): -8.3098 -8.3098 -7.6043 -7.6043 -7.3716 -7.3716 -7.3712 -7.3712 -3.5414 -3.5414 -3.5036 -3.5036 -2.9146 -2.9146 -2.8464 -2.8464 -2.8329 -2.8329 -0.7388 -0.7388 -0.2212 -0.2212 1.2519 1.2519 1.6397 1.6397 1.6801 1.6801 1.9995 1.9995 2.8008 2.8008 3.1119 3.1119 3.1394 3.1394 3.2671 3.2671 3.7626 3.7626 3.9210 3.9210 7.6084 7.6084 7.9807 7.9807 8.0062 8.0062 8.0408 8.0408 k = 0.3333 0.2535-0.0000 ( 4720 PWs) bands (ev): -8.2855 -8.2855 -7.6343 -7.6343 -7.3721 -7.3721 -7.3717 -7.3717 -3.5432 -3.5432 -3.5051 -3.5051 -2.9168 -2.9168 -2.8474 -2.8474 -2.8345 -2.8345 -0.7242 -0.7242 -0.2276 -0.2276 1.2387 1.2387 1.6655 1.6655 1.7071 1.7071 2.0388 2.0388 2.8347 2.8347 3.1050 3.1050 3.1340 3.1340 3.2523 3.2523 3.7451 3.7451 3.8944 3.8944 7.6554 7.6554 7.8951 7.8951 7.9230 7.9230 8.0349 8.0349 k = 0.3500 0.2661-0.0000 ( 4728 PWs) bands (ev): -8.2604 -8.2604 -7.6647 -7.6647 -7.3726 -7.3726 -7.3722 -7.3722 -3.5449 -3.5449 -3.5065 -3.5065 -2.9188 -2.9188 -2.8483 -2.8483 -2.8361 -2.8361 -0.7123 -0.7123 -0.2308 -0.2308 1.2267 1.2267 1.6911 1.6911 1.7332 1.7332 2.0734 2.0734 2.8663 2.8663 3.0823 3.0823 3.1380 3.1380 3.2429 3.2429 3.7323 3.7323 3.8708 3.8708 7.6812 7.6812 7.8145 7.8145 7.8433 7.8433 8.0452 8.0452 k = 0.3667 0.2788-0.0000 ( 4736 PWs) bands (ev): -8.2347 -8.2347 -7.6953 -7.6953 -7.3730 -7.3730 -7.3726 -7.3726 -3.5463 -3.5463 -3.5079 -3.5079 -2.9206 -2.9206 -2.8491 -2.8491 -2.8378 -2.8378 -0.7030 -0.7030 -0.2310 -0.2310 1.2159 1.2159 1.7157 1.7157 1.7580 1.7580 2.1032 2.1032 2.8955 2.8955 3.0580 3.0580 3.1417 3.1417 3.2348 3.2348 3.7241 3.7241 3.8504 3.8504 7.6832 7.6832 7.7412 7.7412 7.7704 7.7704 8.0711 8.0711 k = 0.3833 0.2915-0.0000 ( 4736 PWs) bands (ev): -8.2085 -8.2085 -7.7260 -7.7260 -7.3734 -7.3734 -7.3730 -7.3730 -3.5477 -3.5477 -3.5092 -3.5092 -2.9221 -2.9221 -2.8497 -2.8497 -2.8394 -2.8394 -0.6962 -0.6962 -0.2289 -0.2289 1.2065 1.2065 1.7391 1.7391 1.7812 1.7812 2.1279 2.1279 2.9218 2.9218 3.0362 3.0362 3.1433 3.1433 3.2263 3.2263 3.7201 3.7202 3.8331 3.8331 7.6605 7.6605 7.6810 7.6810 7.7062 7.7062 8.1064 8.1064 k = 0.4000 0.3042-0.0000 ( 4732 PWs) bands (ev): -8.1821 -8.1821 -7.7563 -7.7563 -7.3738 -7.3738 -7.3734 -7.3734 -3.5488 -3.5488 -3.5103 -3.5103 -2.9234 -2.9234 -2.8502 -2.8502 -2.8409 -2.8409 -0.6915 -0.6915 -0.2251 -0.2251 1.1985 1.1985 1.7606 1.7606 1.8023 1.8023 2.1477 2.1477 2.9451 2.9451 3.0184 3.0184 3.1428 3.1428 3.2171 3.2171 3.7196 3.7196 3.8190 3.8190 7.6097 7.6097 7.6376 7.6376 7.6598 7.6598 8.1404 8.1404 k = 0.4167 0.3168-0.0000 ( 4740 PWs) bands (ev): -8.1558 -8.1558 -7.7860 -7.7860 -7.3741 -7.3741 -7.3737 -7.3737 -3.5498 -3.5498 -3.5113 -3.5113 -2.9245 -2.9245 -2.8505 -2.8505 -2.8424 -2.8424 -0.6884 -0.6884 -0.2204 -0.2204 1.1918 1.1918 1.7798 1.7798 1.8209 1.8209 2.1629 2.1629 2.9648 2.9648 3.0050 3.0050 3.1407 3.1407 3.2076 3.2076 3.7217 3.7217 3.8077 3.8077 7.5598 7.5598 7.5904 7.5904 7.6296 7.6296 8.1644 8.1644 k = 0.4333 0.3295-0.0000 ( 4736 PWs) bands (ev): -8.1301 -8.1301 -7.8145 -7.8145 -7.3744 -7.3744 -7.3740 -7.3740 -3.5505 -3.5505 -3.5122 -3.5122 -2.9254 -2.9254 -2.8506 -2.8506 -2.8437 -2.8437 -0.6865 -0.6865 -0.2154 -0.2154 1.1864 1.1864 1.7963 1.7963 1.8367 1.8367 2.1742 2.1742 2.9792 2.9792 2.9973 2.9973 3.1376 3.1376 3.1983 3.1983 3.7252 3.7253 3.7989 3.7989 7.5177 7.5177 7.5492 7.5492 7.6040 7.6040 8.1761 8.1761 k = 0.4500 0.3422-0.0000 ( 4724 PWs) bands (ev): -8.1061 -8.1061 -7.8407 -7.8407 -7.3746 -7.3746 -7.3742 -7.3742 -3.5511 -3.5511 -3.5129 -3.5129 -2.9261 -2.9261 -2.8506 -2.8506 -2.8449 -2.8449 -0.6855 -0.6855 -0.2109 -0.2109 1.1822 1.1822 1.8095 1.8095 1.8494 1.8494 2.1821 2.1821 2.9824 2.9824 3.0006 3.0006 3.1342 3.1342 3.1901 3.1902 3.7295 3.7295 3.7922 3.7922 7.4845 7.4845 7.5165 7.5165 7.5825 7.5825 8.1789 8.1789 k = 0.4667 0.3549-0.0000 ( 4708 PWs) bands (ev): -8.0853 -8.0853 -7.8632 -7.8632 -7.3747 -7.3747 -7.3743 -7.3743 -3.5516 -3.5516 -3.5134 -3.5134 -2.9266 -2.9266 -2.8505 -2.8505 -2.8458 -2.8458 -0.6850 -0.6850 -0.2072 -0.2072 1.1793 1.1793 1.8192 1.8192 1.8586 1.8586 2.1872 2.1872 2.9798 2.9798 3.0084 3.0084 3.1313 3.1313 3.1837 3.1837 3.7334 3.7334 3.7874 3.7874 7.4606 7.4606 7.4929 7.4929 7.5664 7.5664 8.1777 8.1777 k = 0.4833 0.3675-0.0000 ( 4708 PWs) bands (ev): -8.0704 -8.0704 -7.8791 -7.8791 -7.3748 -7.3748 -7.3744 -7.3744 -3.5518 -3.5518 -3.5137 -3.5137 -2.9269 -2.9269 -2.8504 -2.8504 -2.8465 -2.8465 -0.6848 -0.6848 -0.2049 -0.2049 1.1775 1.1775 1.8251 1.8251 1.8643 1.8643 2.1901 2.1901 2.9779 2.9779 3.0138 3.0138 3.1294 3.1294 3.1795 3.1795 3.7363 3.7363 3.7844 3.7844 7.4461 7.4461 7.4786 7.4786 7.5565 7.5565 8.1758 8.1758 k = 0.5000 0.3802-0.0000 ( 4704 PWs) bands (ev): -8.0648 -8.0648 -7.8850 -7.8850 -7.3748 -7.3748 -7.3745 -7.3745 -3.5519 -3.5519 -3.5138 -3.5138 -2.9270 -2.9270 -2.8503 -2.8503 -2.8467 -2.8467 -0.6848 -0.6848 -0.2041 -0.2041 1.1770 1.1770 1.8271 1.8271 1.8662 1.8662 2.1910 2.1910 2.9773 2.9773 3.0156 3.0156 3.1287 3.1287 3.1781 3.1781 3.7373 3.7373 3.7834 3.7834 7.4412 7.4412 7.4738 7.4738 7.5531 7.5531 8.1750 8.1750 k = 0.5000 0.3802-0.0000 ( 4704 PWs) bands (ev): -8.0648 -8.0648 -7.8850 -7.8850 -7.3748 -7.3748 -7.3745 -7.3745 -3.5519 -3.5519 -3.5138 -3.5138 -2.9270 -2.9270 -2.8503 -2.8503 -2.8467 -2.8467 -0.6848 -0.6848 -0.2041 -0.2041 1.1770 1.1770 1.8271 1.8271 1.8662 1.8662 2.1910 2.1910 2.9773 2.9773 3.0156 3.0156 3.1287 3.1287 3.1781 3.1781 3.7373 3.7373 3.7834 3.7834 7.4412 7.4412 7.4738 7.4738 7.5531 7.5531 8.1750 8.1750 k = 0.4911 0.3919 0.0147 ( 4710 PWs) bands (ev): -8.0644 -8.0644 -7.8848 -7.8847 -7.3755 -7.3754 -7.3745 -7.3745 -3.5528 -3.5509 -3.5156 -3.5121 -2.9295 -2.9244 -2.8522 -2.8502 -2.8479 -2.8441 -0.6846 -0.6812 -0.2039 -0.2036 1.1697 1.1762 1.8221 1.8331 1.8637 1.8698 2.1879 2.1934 2.9465 2.9848 3.0122 3.0183 3.1277 3.1394 3.1577 3.2088 3.7336 3.7406 3.7815 3.7851 7.4409 7.4448 7.4749 7.4760 7.5551 7.5582 8.1786 8.1821 k = 0.4822 0.4036 0.0294 ( 4710 PWs) bands (ev): -8.0632 -8.0632 -7.8842 -7.8840 -7.3779 -7.3777 -7.3743 -7.3742 -3.5536 -3.5498 -3.5176 -3.5107 -2.9319 -2.9218 -2.8549 -2.8523 -2.8465 -2.8415 -0.6808 -0.6739 -0.2030 -0.2023 1.1547 1.1675 1.8179 1.8377 1.8625 1.8764 2.1844 2.1952 2.9052 2.9657 3.0039 3.0209 3.1322 3.1451 3.1636 3.2463 3.7288 3.7423 3.7804 3.7878 7.4428 7.4514 7.4796 7.4827 7.5641 7.5702 8.1926 8.1994 k = 0.4733 0.4153 0.0440 ( 4702 PWs) bands (ev): -8.0612 -8.0612 -7.8831 -7.8829 -7.3818 -7.3815 -7.3739 -7.3737 -3.5543 -3.5487 -3.5198 -3.5095 -2.9342 -2.9191 -2.8582 -2.8542 -2.8449 -2.8392 -0.6734 -0.6631 -0.2012 -0.2002 1.1331 1.1513 1.8125 1.8383 1.8636 1.8883 2.1804 2.1963 2.8595 2.9308 2.9930 3.0203 3.1352 3.1392 3.1978 3.2869 3.7212 3.7393 3.7827 3.7940 7.4459 7.4592 7.4901 7.4953 7.5801 7.5889 8.2168 8.2265 k = 0.4645 0.4269 0.0587 ( 4708 PWs) bands (ev): -8.0585 -8.0585 -7.8816 -7.8813 -7.3872 -7.3869 -7.3732 -7.3730 -3.5548 -3.5475 -3.5221 -3.5084 -2.9365 -2.9164 -2.8619 -2.8559 -2.8433 -2.8372 -0.6628 -0.6489 -0.1986 -0.1972 1.1057 1.1285 1.8040 1.8344 1.8679 1.9050 2.1759 2.1969 2.8118 2.8881 2.9810 3.0176 3.1308 3.1401 3.2368 3.3285 3.7094 3.7301 3.7900 3.8049 7.4499 7.4666 7.5084 7.5147 7.6027 7.6140 8.2503 8.2625 k = 0.4556 0.4386 0.0734 ( 4700 PWs) bands (ev): -8.0550 -8.0550 -7.8797 -7.8794 -7.3940 -7.3936 -7.3724 -7.3721 -3.5552 -3.5463 -3.5247 -3.5074 -2.9387 -2.9137 -2.8657 -2.8574 -2.8418 -2.8355 -0.6493 -0.6316 -0.1948 -0.1931 1.0738 1.1005 1.7920 1.8268 1.8751 1.9245 2.1711 2.1972 2.7632 2.8421 2.9683 3.0137 3.1244 3.1405 3.2771 3.3699 3.6933 3.7161 3.8019 3.8205 7.4554 7.4741 7.5345 7.5408 7.6315 7.6451 8.2923 8.3065 k = 0.4467 0.4503 0.0881 ( 4708 PWs) bands (ev): -8.0508 -8.0508 -7.8775 -7.8770 -7.4022 -7.4017 -7.3714 -7.3711 -3.5555 -3.5451 -3.5273 -3.5066 -2.9408 -2.9110 -2.8695 -2.8589 -2.8402 -2.8340 -0.6335 -0.6119 -0.1899 -0.1876 1.0383 1.0682 1.7769 1.8158 1.8839 1.9449 2.1658 2.1973 2.7146 2.7948 2.9554 3.0095 3.1165 3.1385 3.3170 3.4102 3.6737 3.6989 3.8175 3.8397 7.4631 7.4831 7.5675 7.5734 7.6661 7.6816 8.3414 8.3574 k = 0.4378 0.4620 0.1028 ( 4720 PWs) bands (ev): -8.0460 -8.0459 -7.8749 -7.8744 -7.4115 -7.4110 -7.3702 -7.3699 -3.5555 -3.5440 -3.5300 -3.5058 -2.9428 -2.9084 -2.8731 -2.8603 -2.8387 -2.8328 -0.6159 -0.5902 -0.1834 -0.1802 1.0003 1.0328 1.7593 1.8021 1.8924 1.9650 2.1601 2.1977 2.6664 2.7476 2.9427 3.0055 3.1066 3.1339 3.3551 3.4483 3.6522 3.6801 3.8363 3.8618 7.4736 7.4943 7.6070 7.6122 7.7059 7.7230 8.3966 8.4139 k = 0.4289 0.4737 0.1174 ( 4708 PWs) bands (ev): -8.0405 -8.0405 -7.8720 -7.8715 -7.4220 -7.4214 -7.3689 -7.3685 -3.5555 -3.5430 -3.5327 -3.5051 -2.9447 -2.9060 -2.8764 -2.8616 -2.8373 -2.8319 -0.5973 -0.5673 -0.1750 -0.1705 0.9606 0.9952 1.7396 1.7860 1.8996 1.9834 2.1541 2.1985 2.6193 2.7014 2.9308 3.0022 3.0942 3.1265 3.3898 3.4815 3.6319 3.6616 3.8577 3.8862 7.4873 7.5084 7.6527 7.6568 7.7503 7.7687 8.4562 8.4747 k = 0.4200 0.4854 0.1321 ( 4708 PWs) bands (ev): -8.0345 -8.0345 -7.8689 -7.8683 -7.4334 -7.4327 -7.3674 -7.3669 -3.5553 -3.5423 -3.5352 -3.5044 -2.9465 -2.9039 -2.8793 -2.8626 -2.8359 -2.8311 -0.5786 -0.5443 -0.1641 -0.1578 0.9199 0.9563 1.7182 1.7676 1.9042 1.9987 2.1482 2.2000 2.5737 2.6572 2.9200 2.9997 3.0796 3.1163 3.4180 3.5027 3.6199 3.6469 3.8810 3.9122 7.5047 7.5257 7.7041 7.7070 7.7987 7.8181 8.5186 8.5381 k = 0.4111 0.4971 0.1468 ( 4722 PWs) bands (ev): -8.0281 -8.0281 -7.8656 -7.8649 -7.4455 -7.4448 -7.3657 -7.3652 -3.5550 -3.5423 -3.5369 -3.5037 -2.9482 -2.9024 -2.8814 -2.8635 -2.8345 -2.8305 -0.5607 -0.5222 -0.1499 -0.1417 0.8789 0.9169 1.6954 1.7473 1.9057 2.0093 2.1431 2.2019 2.5302 2.6156 2.9106 2.9980 3.0633 3.1035 3.4351 3.5015 3.6256 3.6424 3.9057 3.9394 7.5257 7.5466 7.7608 7.7624 7.8505 7.8706 8.5816 8.6023 k = 0.4023 0.5087 0.1615 ( 4726 PWs) bands (ev): -8.0214 -8.0214 -7.8621 -7.8614 -7.4581 -7.4574 -7.3638 -7.3633 -3.5546 -3.5437 -3.5374 -3.5029 -2.9498 -2.9016 -2.8827 -2.8641 -2.8334 -2.8299 -0.5448 -0.5023 -0.1318 -0.1216 0.8383 0.8775 1.6715 1.7252 1.9036 2.0136 2.1395 2.2040 2.4895 2.5775 2.9031 2.9959 3.0470 3.0883 3.4365 3.4807 3.6399 3.6593 3.9313 3.9672 7.5506 7.5710 7.8218 7.8229 7.9050 7.9255 8.6427 8.6650 k = 0.3934 0.5204 0.1762 ( 4730 PWs) bands (ev): -8.0146 -8.0145 -7.8585 -7.8578 -7.4711 -7.4704 -7.3619 -7.3613 -3.5541 -3.5460 -3.5369 -3.5021 -2.9512 -2.9016 -2.8830 -2.8643 -2.8325 -2.8292 -0.5315 -0.4856 -0.1092 -0.0970 0.7986 0.8388 1.6468 1.7016 1.8979 2.0105 2.1376 2.2058 2.4520 2.5435 2.8974 2.9900 3.0348 3.0713 3.4223 3.4509 3.6596 3.6906 3.9572 3.9951 7.5793 7.5992 7.8858 7.8888 7.9615 7.9822 8.6995 8.7241 k = 0.3845 0.5321 0.1909 ( 4740 PWs) bands (ev): -8.0078 -8.0077 -7.8548 -7.8540 -7.4841 -7.4833 -7.3598 -7.3591 -3.5537 -3.5482 -3.5362 -3.5013 -2.9525 -2.9024 -2.8825 -2.8640 -2.8319 -2.8284 -0.5217 -0.4730 -0.0816 -0.0678 0.7604 0.8015 1.6215 1.6766 1.8889 2.0006 2.1362 2.2065 2.4186 2.5140 2.8935 2.9764 3.0314 3.0533 3.3962 3.4180 3.6862 3.7250 3.9830 4.0229 7.6118 7.6310 7.9527 7.9585 8.0193 8.0401 8.7495 8.7776 k = 0.3756 0.5438 0.2055 ( 4744 PWs) bands (ev): -8.0015 -8.0013 -7.8509 -7.8501 -7.4968 -7.4960 -7.3575 -7.3568 -3.5538 -3.5500 -3.5353 -3.5003 -2.9535 -2.9035 -2.8816 -2.8633 -2.8316 -2.8274 -0.5155 -0.4651 -0.0494 -0.0343 0.7244 0.7660 1.5957 1.6503 1.8769 1.9852 2.1336 2.2054 2.3897 2.4889 2.8904 2.9582 3.0304 3.0400 3.3626 3.3843 3.7163 3.7596 4.0083 4.0499 7.6480 7.6664 8.0218 8.0310 8.0777 8.0988 8.7920 8.8245 k = 0.3667 0.5555 0.2202 ( 4748 PWs) bands (ev): -7.9958 -7.9956 -7.8468 -7.8460 -7.5089 -7.5081 -7.3551 -7.3544 -3.5550 -3.5503 -3.5343 -3.4993 -2.9544 -2.9046 -2.8806 -2.8620 -2.8317 -2.8262 -0.5133 -0.4619 -0.0133 0.0030 0.6912 0.7330 1.5695 1.6229 1.8624 1.9658 2.1287 2.2016 2.3661 2.4677 2.8857 2.9417 3.0138 3.0476 3.3249 3.3502 3.7472 3.7930 4.0329 4.0760 7.6877 7.7052 8.0917 8.1053 8.1362 8.1580 8.8274 8.8642 k = 0.3578 0.5672 0.2349 ( 4756 PWs) bands (ev): -7.9913 -7.9910 -7.8423 -7.8416 -7.5201 -7.5194 -7.3527 -7.3519 -3.5569 -3.5499 -3.5332 -3.4983 -2.9550 -2.9057 -2.8797 -2.8602 -2.8318 -2.8251 -0.5147 -0.4631 0.0257 0.0431 0.6617 0.7034 1.5431 1.5945 1.8461 1.9439 2.1211 2.1945 2.3474 2.4491 2.8750 2.9332 2.9965 3.0606 3.2853 3.3161 3.7772 3.8243 4.0564 4.1007 7.7308 7.7474 8.1605 8.1791 8.1950 8.2177 8.8572 8.8970 k = 0.3489 0.5789 0.2496 ( 4756 PWs) bands (ev): -7.9885 -7.9881 -7.8372 -7.8365 -7.5301 -7.5294 -7.3501 -7.3493 -3.5588 -3.5492 -3.5319 -3.4972 -2.9554 -2.9066 -2.8789 -2.8580 -2.8322 -2.8239 -0.5196 -0.4685 0.0659 0.0845 0.6372 0.6781 1.5163 1.5651 1.8284 1.9207 2.1114 2.1840 2.3328 2.4318 2.8579 2.9332 2.9821 3.0768 3.2449 3.2825 3.8053 3.8528 4.0786 4.1239 7.7770 7.7928 8.2262 8.2440 8.2604 8.2785 8.8829 8.9235 k = 0.3400 0.5906 0.2643 ( 4757 PWs) bands (ev): -7.9878 -7.9874 -7.8312 -7.8305 -7.5386 -7.5379 -7.3474 -7.3466 -3.5606 -3.5484 -3.5305 -3.4961 -2.9555 -2.9072 -2.8781 -2.8554 -2.8326 -2.8228 -0.5277 -0.4775 0.1053 0.1254 0.6190 0.6584 1.4893 1.5349 1.8100 1.8973 2.1005 2.1710 2.3202 2.4143 2.8386 2.9356 2.9743 3.0957 3.2047 3.2504 3.8305 3.8777 4.0994 4.1453 7.8262 7.8411 8.2866 8.2982 8.3315 8.3410 8.9058 8.9449 k = 0.3312 0.6022 0.2789 ( 4755 PWs) bands (ev): -7.9897 -7.9893 -7.8241 -7.8234 -7.5454 -7.5448 -7.3447 -7.3438 -3.5621 -3.5475 -3.5289 -3.4951 -2.9553 -2.9076 -2.8773 -2.8526 -2.8331 -2.8217 -0.5386 -0.4899 0.1415 0.1637 0.6091 0.6460 1.4620 1.5040 1.7912 1.8746 2.0894 2.1567 2.3073 2.3953 2.8198 2.9328 2.9783 3.1171 3.1654 3.2207 3.8521 3.8986 4.1187 4.1647 7.8781 7.8920 8.3406 8.3477 8.3974 8.4070 8.9269 8.9626 k = 0.3223 0.6139 0.2936 ( 4759 PWs) bands (ev): -7.9945 -7.9941 -7.8156 -7.8149 -7.5503 -7.5499 -7.3419 -7.3410 -3.5634 -3.5467 -3.5271 -3.4940 -2.9548 -2.9078 -2.8765 -2.8497 -2.8336 -2.8206 -0.5521 -0.5050 0.1719 0.1966 0.6098 0.6428 1.4343 1.4727 1.7725 1.8533 2.0790 2.1421 2.2924 2.3742 2.8028 2.9258 2.9920 3.1268 3.1416 3.1947 3.8697 3.9148 4.1363 4.1820 7.9323 7.9454 8.3881 8.3933 8.4569 8.4731 8.9464 8.9782 k = 0.3223 0.6139 0.2936 ( 4759 PWs) bands (ev): -7.9945 -7.9941 -7.8156 -7.8149 -7.5503 -7.5499 -7.3419 -7.3410 -3.5634 -3.5467 -3.5271 -3.4940 -2.9548 -2.9078 -2.8765 -2.8497 -2.8336 -2.8206 -0.5521 -0.5050 0.1719 0.1966 0.6098 0.6428 1.4343 1.4727 1.7725 1.8533 2.0790 2.1421 2.2924 2.3742 2.8028 2.9258 2.9920 3.1268 3.1416 3.1947 3.8697 3.9148 4.1363 4.1820 7.9323 7.9454 8.3881 8.3933 8.4569 8.4731 8.9464 8.9782 k = 0.3033 0.6083 0.3006 ( 4761 PWs) bands (ev): -7.9994 -7.9989 -7.8099 -7.8093 -7.5514 -7.5509 -7.3406 -7.3397 -3.5638 -3.5463 -3.5260 -3.4935 -2.9543 -2.9078 -2.8759 -2.8482 -2.8339 -2.8201 -0.5606 -0.5147 0.1848 0.2107 0.6154 0.6460 1.4185 1.4550 1.7632 1.8425 2.0758 2.1357 2.2867 2.3641 2.7930 2.9195 2.9986 3.1144 3.1519 3.1881 3.8741 3.9174 4.1462 4.1903 7.9621 7.9748 8.3948 8.4112 8.4909 8.5139 8.9516 8.9817 k = 0.2844 0.6027 0.3077 ( 4760 PWs) bands (ev): -8.0070 -8.0065 -7.8028 -7.8022 -7.5505 -7.5501 -7.3397 -7.3388 -3.5641 -3.5462 -3.5246 -3.4929 -2.9536 -2.9079 -2.8752 -2.8467 -2.8341 -2.8196 -0.5719 -0.5279 0.1985 0.2253 0.6252 0.6533 1.3980 1.4324 1.7528 1.8291 2.0755 2.1306 2.2850 2.3556 2.7803 2.9090 3.0027 3.1102 3.1616 3.1891 3.8732 3.9130 4.1586 4.1991 7.9984 8.0107 8.3951 8.4172 8.5348 8.5617 8.9516 8.9796 k = 0.2654 0.5972 0.3147 ( 4761 PWs) bands (ev): -8.0163 -8.0159 -7.7954 -7.7948 -7.5475 -7.5472 -7.3391 -7.3382 -3.5641 -3.5461 -3.5229 -3.4923 -2.9527 -2.9081 -2.8741 -2.8451 -2.8341 -2.8190 -0.5857 -0.5440 0.2135 0.2407 0.6383 0.6637 1.3736 1.4061 1.7406 1.8124 2.0773 2.1278 2.2863 2.3496 2.7668 2.8956 3.0050 3.1126 3.1713 3.1957 3.8674 3.9033 4.1714 4.2073 8.0408 8.0527 8.3954 8.4197 8.5804 8.6094 8.9498 8.9756 k = 0.2464 0.5916 0.3217 ( 4765 PWs) bands (ev): -8.0264 -8.0260 -7.7886 -7.7881 -7.5425 -7.5422 -7.3389 -7.3380 -3.5641 -3.5463 -3.5209 -3.4917 -2.9516 -2.9084 -2.8728 -2.8435 -2.8340 -2.8185 -0.6016 -0.5626 0.2301 0.2571 0.6538 0.6765 1.3462 1.3773 1.7254 1.7914 2.0806 2.1281 2.2893 2.3474 2.7541 2.8807 3.0066 3.1187 3.1814 3.2070 3.8574 3.8896 4.1827 4.2139 8.0886 8.1003 8.3973 8.4224 8.6242 8.6549 8.9494 8.9734 k = 0.2275 0.5860 0.3287 ( 4759 PWs) bands (ev): -8.0369 -8.0365 -7.7830 -7.7825 -7.5354 -7.5353 -7.3391 -7.3382 -3.5638 -3.5466 -3.5187 -3.4911 -2.9503 -2.9089 -2.8712 -2.8421 -2.8337 -2.8179 -0.6189 -0.5828 0.2484 0.2747 0.6709 0.6909 1.3168 1.3474 1.7064 1.7658 2.0852 2.1320 2.2926 2.3501 2.7434 2.8654 3.0083 3.1256 3.1929 3.2224 3.8437 3.8732 4.1913 4.2182 8.1410 8.1527 8.4018 8.4269 8.6639 8.6960 8.9538 8.9762 k = 0.2085 0.5804 0.3358 ( 4760 PWs) bands (ev): -8.0472 -8.0468 -7.7787 -7.7782 -7.5266 -7.5265 -7.3397 -7.3388 -3.5635 -3.5469 -3.5164 -3.4905 -2.9488 -2.9096 -2.8694 -2.8410 -2.8331 -2.8174 -0.6371 -0.6042 0.2683 0.2933 0.6888 0.7063 1.2865 1.3175 1.6832 1.7356 2.0912 2.1389 2.2959 2.3576 2.7351 2.8498 3.0111 3.1313 3.2071 3.2409 3.8269 3.8545 4.1964 4.2197 8.1967 8.2084 8.4100 8.4346 8.6979 8.7308 8.9658 8.9866 k = 0.1896 0.5748 0.3428 ( 4761 PWs) bands (ev): -8.0571 -8.0567 -7.7756 -7.7752 -7.5164 -7.5163 -7.3409 -7.3400 -3.5630 -3.5474 -3.5139 -3.4900 -2.9472 -2.9104 -2.8673 -2.8403 -2.8320 -2.8170 -0.6556 -0.6260 0.2894 0.3129 0.7068 0.7222 1.2564 1.2886 1.6557 1.7018 2.0987 2.1477 2.3002 2.3689 2.7289 2.8338 3.0157 3.1354 3.2246 3.2615 3.8074 3.8341 4.1977 4.2182 8.2531 8.2648 8.4239 8.4475 8.7253 8.7577 8.9872 9.0062 k = 0.1706 0.5692 0.3498 ( 4758 PWs) bands (ev): -8.0664 -8.0661 -7.7737 -7.7734 -7.5051 -7.5049 -7.3426 -7.3417 -3.5624 -3.5480 -3.5114 -3.4895 -2.9454 -2.9114 -2.8651 -2.8400 -2.8307 -2.8166 -0.6740 -0.6476 0.3115 0.3330 0.7242 0.7382 1.2273 1.2615 1.6245 1.6655 2.1074 2.1571 2.3066 2.3826 2.7238 2.8171 3.0230 3.1388 3.2450 3.2836 3.7857 3.8120 4.1952 4.2138 8.3058 8.3173 8.4472 8.4693 8.7463 8.7771 9.0175 9.0346 k = 0.1517 0.5636 0.3568 ( 4760 PWs) bands (ev): -8.0749 -8.0747 -7.7727 -7.7724 -7.4931 -7.4929 -7.3449 -7.3441 -3.5617 -3.5486 -3.5089 -3.4892 -2.9435 -2.9126 -2.8628 -2.8399 -2.8291 -2.8163 -0.6916 -0.6684 0.3339 0.3534 0.7407 0.7540 1.2002 1.2367 1.5905 1.6278 2.1168 2.1659 2.3163 2.3978 2.7188 2.7992 3.0335 3.1426 3.2673 3.3065 3.7623 3.7885 4.1893 4.2068 8.3481 8.3593 8.4850 8.5053 8.7626 8.7910 9.0544 9.0698 k = 0.1327 0.5580 0.3639 ( 4762 PWs) bands (ev): -8.0827 -8.0825 -7.7723 -7.7721 -7.4808 -7.4805 -7.3478 -7.3470 -3.5610 -3.5493 -3.5065 -3.4890 -2.9415 -2.9140 -2.8605 -2.8401 -2.8275 -2.8160 -0.7081 -0.6880 0.3562 0.3735 0.7556 0.7694 1.1759 1.2146 1.5551 1.5901 2.1264 2.1730 2.3295 2.4139 2.7128 2.7803 3.0473 3.1476 3.2908 3.3296 3.7377 3.7637 4.1807 4.1976 8.3770 8.3883 8.5377 8.5569 8.7762 8.8021 9.0946 9.1092 k = 0.1137 0.5524 0.3709 ( 4756 PWs) bands (ev): -8.0895 -8.0893 -7.7724 -7.7722 -7.4685 -7.4682 -7.3513 -7.3505 -3.5602 -3.5500 -3.5041 -3.4890 -2.9394 -2.9155 -2.8581 -2.8404 -2.8258 -2.8159 -0.7230 -0.7060 0.3777 0.3926 0.7691 0.7836 1.1549 1.1954 1.5199 1.5533 2.1357 2.1780 2.3464 2.4304 2.7046 2.7607 3.0641 3.1540 3.3150 3.3524 3.7125 3.7379 4.1705 4.1866 8.3967 8.4077 8.5990 8.6179 8.7889 8.8125 9.1356 9.1503 k = 0.0948 0.5468 0.3779 ( 4757 PWs) bands (ev): -8.0954 -8.0952 -7.7728 -7.7726 -7.4565 -7.4561 -7.3554 -7.3546 -3.5594 -3.5508 -3.5018 -3.4891 -2.9373 -2.9171 -2.8558 -2.8409 -2.8242 -2.8159 -0.7360 -0.7220 0.3976 0.4103 0.7811 0.7961 1.1381 1.1788 1.4868 1.5184 2.1443 2.1808 2.3665 2.4468 2.6938 2.7408 3.0832 3.1615 3.3392 3.3743 3.6875 3.7116 4.1596 4.1746 8.4112 8.4213 8.6615 8.6797 8.8028 8.8244 9.1756 9.1909 k = 0.0758 0.5412 0.3849 ( 4749 PWs) bands (ev): -8.1002 -8.1001 -7.7733 -7.7732 -7.4452 -7.4448 -7.3599 -7.3592 -3.5585 -3.5516 -3.4996 -3.4894 -2.9352 -2.9188 -2.8536 -2.8416 -2.8227 -2.8160 -0.7468 -0.7356 0.4155 0.4257 0.7916 0.8064 1.1259 1.1647 1.4575 1.4864 2.1520 2.1817 2.3888 2.4622 2.6811 2.7212 3.1036 3.1689 3.3630 3.3945 3.6636 3.6854 4.1491 4.1625 8.4226 8.4313 8.7177 8.7333 8.8215 8.8409 9.2131 9.2292 k = 0.0569 0.5356 0.3920 ( 4743 PWs) bands (ev): -8.1040 -8.1039 -7.7738 -7.7737 -7.4348 -7.4344 -7.3648 -7.3641 -3.5577 -3.5524 -3.4976 -3.4900 -2.9330 -2.9207 -2.8515 -2.8425 -2.8213 -2.8163 -0.7551 -0.7468 0.4304 0.4382 0.8007 0.8139 1.1187 1.1525 1.4338 1.4584 2.1587 2.1811 2.4122 2.4747 2.6683 2.7024 3.1238 3.1749 3.3857 3.4120 3.6420 3.6605 4.1403 4.1512 8.4316 8.4385 8.7589 8.7690 8.8495 8.8656 9.2473 9.2632 k = 0.0379 0.5301 0.3990 ( 4747 PWs) bands (ev): -8.1067 -8.1067 -7.7742 -7.7741 -7.4260 -7.4257 -7.3695 -7.3690 -3.5568 -3.5532 -3.4958 -3.4907 -2.9309 -2.9226 -2.8495 -2.8435 -2.8201 -2.8167 -0.7608 -0.7553 0.4420 0.4473 0.8083 0.8183 1.1163 1.1417 1.4174 1.4356 2.1644 2.1794 2.4353 2.4822 2.6585 2.6849 3.1425 3.1778 3.4060 3.4254 3.6248 3.6384 4.1338 4.1417 8.4384 8.4431 8.7819 8.7871 8.8830 8.8951 9.2769 9.2906 k = 0.0190 0.5245 0.4060 ( 4742 PWs) bands (ev): -8.1084 -8.1083 -7.7745 -7.7744 -7.4197 -7.4195 -7.3732 -7.3729 -3.5559 -3.5541 -3.4942 -3.4916 -2.9287 -2.9246 -2.8477 -2.8447 -2.8190 -2.8173 -0.7637 -0.7610 0.4497 0.4524 0.8142 0.8197 1.1184 1.1321 1.4094 1.4190 2.1693 2.1768 2.4563 2.4818 2.6549 2.6699 3.1583 3.1763 3.4221 3.4326 3.6143 3.6217 4.1306 4.1346 8.4429 8.4454 8.7927 8.7950 8.9101 8.9169 9.2994 9.3077 k = 0.0000 0.5189 0.4130 ( 4740 PWs) bands (ev): -8.1089 -8.1089 -7.7746 -7.7746 -7.4172 -7.4172 -7.3746 -7.3746 -3.5550 -3.5550 -3.4928 -3.4928 -2.9266 -2.9266 -2.8461 -2.8461 -2.8180 -2.8180 -0.7638 -0.7638 0.4532 0.4532 0.8182 0.8182 1.1241 1.1241 1.4100 1.4100 2.1734 2.1734 2.4726 2.4726 2.6591 2.6591 3.1698 3.1698 3.4317 3.4317 3.6130 3.6130 4.1308 4.1308 8.4453 8.4453 8.7966 8.7966 8.9226 8.9226 9.3109 9.3109 k = 0.0000 0.5189 0.4130 ( 4740 PWs) bands (ev): -8.1089 -8.1089 -7.7746 -7.7746 -7.4172 -7.4172 -7.3746 -7.3746 -3.5550 -3.5550 -3.4928 -3.4928 -2.9266 -2.9266 -2.8461 -2.8461 -2.8180 -2.8180 -0.7638 -0.7638 0.4532 0.4532 0.8182 0.8182 1.1241 1.1241 1.4100 1.4100 2.1734 2.1734 2.4726 2.4726 2.6591 2.6591 3.1698 3.1698 3.4317 3.4317 3.6130 3.6130 4.1308 4.1308 8.4453 8.4453 8.7966 8.7966 8.9226 8.9226 9.3109 9.3109 k = 0.0089 0.5071 0.4278 ( 4738 PWs) bands (ev): -8.1085 -8.1084 -7.7744 -7.7743 -7.4178 -7.4177 -7.3748 -7.3747 -3.5555 -3.5543 -3.4938 -3.4918 -2.9283 -2.9247 -2.8467 -2.8455 -2.8183 -2.8177 -0.7654 -0.7636 0.4470 0.4499 0.8041 0.8169 1.1257 1.1375 1.4093 1.4174 2.1705 2.1750 2.4651 2.4781 2.6531 2.6741 3.1664 3.1760 3.4262 3.4396 3.6127 3.6153 4.1288 4.1324 8.4426 8.4446 8.7886 8.7922 8.9146 8.9220 9.3066 9.3218 k = 0.0179 0.4954 0.4425 ( 4746 PWs) bands (ev): -8.1071 -8.1071 -7.7738 -7.7737 -7.4192 -7.4190 -7.3753 -7.3752 -3.5558 -3.5535 -3.4947 -3.4908 -2.9297 -2.9226 -2.8473 -2.8450 -2.8185 -2.8172 -0.7682 -0.7647 0.4317 0.4372 0.7783 0.8007 1.1417 1.1622 1.4152 1.4315 2.1659 2.1755 2.4580 2.4804 2.6573 2.6957 3.1657 3.1850 3.4232 3.4498 3.6143 3.6194 4.1264 4.1335 8.4362 8.4404 8.7700 8.7758 8.8996 8.9122 9.3098 9.3377 k = 0.0268 0.4836 0.4573 ( 4746 PWs) bands (ev): -8.1049 -8.1048 -7.7728 -7.7728 -7.4216 -7.4214 -7.3761 -7.3761 -3.5560 -3.5525 -3.4956 -3.4898 -2.9308 -2.9203 -2.8478 -2.8444 -2.8185 -2.8167 -0.7723 -0.7670 0.4081 0.4156 0.7453 0.7735 1.1671 1.1931 1.4277 1.4519 2.1595 2.1750 2.4541 2.4816 2.6703 2.7213 3.1675 3.1965 3.4226 3.4619 3.6181 3.6254 4.1235 4.1342 8.4258 8.4321 8.7439 8.7499 8.8785 8.8935 9.3192 9.3563 k = 0.0357 0.4719 0.4720 ( 4750 PWs) bands (ev): -8.1018 -8.1017 -7.7715 -7.7714 -7.4249 -7.4246 -7.3774 -7.3772 -3.5559 -3.5514 -3.4964 -3.4888 -2.9316 -2.9178 -2.8482 -2.8439 -2.8185 -2.8162 -0.7773 -0.7704 0.3774 0.3863 0.7081 0.7393 1.1966 1.2258 1.4467 1.4786 2.1512 2.1736 2.4555 2.4847 2.6894 2.7491 3.1713 3.2101 3.4243 3.4756 3.6247 3.6335 4.1201 4.1344 8.4105 8.4190 8.7131 8.7190 8.8522 8.8679 9.3327 9.3753 k = 0.0446 0.4602 0.4868 ( 4750 PWs) bands (ev): -8.0978 -8.0977 -7.7698 -7.7697 -7.4290 -7.4286 -7.3789 -7.3788 -3.5557 -3.5502 -3.4971 -3.4878 -2.9321 -2.9152 -2.8485 -2.8435 -2.8183 -2.8157 -0.7832 -0.7747 0.3409 0.3507 0.6685 0.7008 1.2262 1.2574 1.4719 1.5108 2.1418 2.1719 2.4631 2.4922 2.7121 2.7778 3.1768 3.2253 3.4282 3.4900 3.6344 3.6438 4.1163 4.1341 8.3896 8.4004 8.6792 8.6877 8.8216 8.8378 9.3478 9.3928 k = 0.0536 0.4484 0.5015 ( 4746 PWs) bands (ev): -8.0930 -8.0928 -7.7678 -7.7677 -7.4339 -7.4335 -7.3809 -7.3807 -3.5553 -3.5489 -3.4978 -3.4869 -2.9323 -2.9125 -2.8488 -2.8432 -2.8180 -2.8151 -0.7897 -0.7797 0.2999 0.3100 0.6271 0.6596 1.2531 1.2858 1.5027 1.5477 2.1326 2.1710 2.4771 2.5056 2.7365 2.8066 3.1833 3.2417 3.4340 3.5042 3.6479 3.6566 4.1119 4.1333 8.3626 8.3757 8.6440 8.6582 8.7877 8.8055 9.3623 9.4069 k = 0.0625 0.4367 0.5163 ( 4750 PWs) bands (ev): -8.0873 -8.0871 -7.7655 -7.7654 -7.4396 -7.4391 -7.3832 -7.3829 -3.5546 -3.5474 -3.4984 -3.4860 -2.9322 -2.9096 -2.8489 -2.8429 -2.8176 -2.8146 -0.7964 -0.7852 0.2557 0.2657 0.5844 0.6163 1.2757 1.3097 1.5382 1.5885 2.1252 2.1720 2.4971 2.5253 2.7614 2.8351 3.1906 3.2587 3.4416 3.5174 3.6655 3.6718 4.1070 4.1318 8.3296 8.3449 8.6095 8.6306 8.7519 8.7733 9.3744 9.4163 k = 0.0714 0.4249 0.5310 ( 4754 PWs) bands (ev): -8.0808 -8.0806 -7.7630 -7.7628 -7.4460 -7.4454 -7.3858 -7.3855 -3.5538 -3.5459 -3.4990 -3.4852 -2.9318 -2.9067 -2.8490 -2.8427 -2.8171 -2.8141 -0.8033 -0.7909 0.2093 0.2190 0.5405 0.5717 1.2928 1.3279 1.5777 1.6321 2.1213 2.1763 2.5226 2.5508 2.7860 2.8629 3.1985 3.2758 3.4504 3.5291 3.6870 3.6898 4.1016 4.1298 8.2916 8.3086 8.5757 8.6035 8.7162 8.7424 9.3834 9.4208 k = 0.0804 0.4132 0.5458 ( 4748 PWs) bands (ev): -8.0734 -8.0733 -7.7603 -7.7601 -7.4530 -7.4524 -7.3889 -7.3885 -3.5528 -3.5443 -3.4995 -3.4845 -2.9310 -2.9038 -2.8490 -2.8426 -2.8166 -2.8136 -0.8098 -0.7964 0.1616 0.1707 0.4959 0.5260 1.3038 1.3397 1.6203 1.6779 2.1222 2.1847 2.5529 2.5818 2.8096 2.8896 3.2067 3.2929 3.4603 3.5392 3.7090 3.7131 4.0955 4.1271 8.2496 8.2682 8.5423 8.5751 8.6829 8.7136 9.3894 9.4216 k = 0.0893 0.4015 0.5605 ( 4748 PWs) bands (ev): -8.0653 -8.0651 -7.7574 -7.7572 -7.4605 -7.4599 -7.3923 -7.3919 -3.5516 -3.5426 -3.4999 -3.4839 -2.9300 -2.9008 -2.8489 -2.8425 -2.8161 -2.8132 -0.8159 -0.8016 0.1131 0.1217 0.4506 0.4797 1.3085 1.3449 1.6655 1.7254 2.1286 2.1975 2.5873 2.6175 2.8318 2.9151 3.2154 3.3097 3.4709 3.5480 3.7312 3.7409 4.0889 4.1238 8.2049 8.2249 8.5088 8.5438 8.6538 8.6869 9.3935 9.4209 k = 0.0982 0.3897 0.5753 ( 4752 PWs) bands (ev): -8.0565 -8.0563 -7.7545 -7.7543 -7.4685 -7.4678 -7.3960 -7.3955 -3.5503 -3.5409 -3.5003 -3.4834 -2.9286 -2.8979 -2.8487 -2.8424 -2.8157 -2.8128 -0.8212 -0.8061 0.0645 0.0724 0.4051 0.4332 1.3071 1.3435 1.7129 1.7744 2.1406 2.2147 2.6251 2.6571 2.8525 2.9390 3.2245 3.3264 3.4819 3.5557 3.7547 3.7704 4.0818 4.1198 8.1583 8.1796 8.4754 8.5095 8.6290 8.6620 9.3974 9.4210 k = 0.1071 0.3780 0.5900 ( 4754 PWs) bands (ev): -8.0469 -8.0467 -7.7517 -7.7515 -7.4768 -7.4761 -7.4001 -7.3995 -3.5488 -3.5391 -3.5007 -3.4831 -2.9269 -2.8949 -2.8485 -2.8424 -2.8154 -2.8124 -0.8255 -0.8097 0.0161 0.0234 0.3596 0.3867 1.3003 1.3362 1.7620 1.8246 2.1575 2.2355 2.6653 2.6995 2.8718 2.9613 3.2342 3.3428 3.4931 3.5628 3.7790 3.8006 4.0743 4.1151 8.1107 8.1331 8.4426 8.4737 8.6074 8.6384 9.4023 9.4235 k = 0.1161 0.3662 0.6048 ( 4752 PWs) bands (ev): -8.0367 -8.0364 -7.7490 -7.7488 -7.4853 -7.4847 -7.4044 -7.4038 -3.5471 -3.5372 -3.5010 -3.4829 -2.9250 -2.8920 -2.8484 -2.8422 -2.8152 -2.8121 -0.8285 -0.8122 -0.0317 -0.0250 0.3147 0.3408 1.2889 1.3238 1.8125 1.8758 2.1787 2.2593 2.7066 2.7436 2.8905 2.9819 3.2447 3.3590 3.5044 3.5694 3.8032 3.8303 4.0665 4.1099 8.0625 8.0860 8.4110 8.4382 8.5876 8.6154 9.4091 9.4294 k = 0.1250 0.3545 0.6195 ( 4758 PWs) bands (ev): -8.0258 -8.0255 -7.7466 -7.7464 -7.4940 -7.4933 -7.4091 -7.4084 -3.5454 -3.5353 -3.5013 -3.4829 -2.9228 -2.8891 -2.8483 -2.8420 -2.8152 -2.8118 -0.8300 -0.8133 -0.0789 -0.0726 0.2706 0.2958 1.2740 1.3075 1.8638 1.9276 2.2031 2.2853 2.7469 2.7873 2.9100 3.0010 3.2564 3.3751 3.5157 3.5758 3.8266 3.8588 4.0588 4.1043 8.0141 8.0385 8.3815 8.4045 8.5686 8.5926 9.4180 9.4384 k = 0.1339 0.3427 0.6343 ( 4752 PWs) bands (ev): -8.0143 -8.0139 -7.7447 -7.7445 -7.5025 -7.5018 -7.4139 -7.4132 -3.5435 -3.5334 -3.5016 -3.4830 -2.9205 -2.8862 -2.8483 -2.8417 -2.8154 -2.8115 -0.8299 -0.8128 -0.1252 -0.1192 0.2277 0.2520 1.2566 1.2884 1.9155 1.9796 2.2302 2.3131 2.7835 2.8280 2.9330 3.0191 3.2694 3.3911 3.5270 3.5822 3.8481 3.8852 4.0514 4.0983 7.9659 7.9909 8.3546 8.3739 8.5496 8.5696 9.4282 9.4489 k = 0.1429 0.3310 0.6490 ( 4752 PWs) bands (ev): -8.0022 -8.0019 -7.7433 -7.7431 -7.5108 -7.5101 -7.4190 -7.4183 -3.5416 -3.5314 -3.5018 -3.4834 -2.9179 -2.8834 -2.8484 -2.8413 -2.8157 -2.8113 -0.8279 -0.8106 -0.1705 -0.1646 0.1864 0.2098 1.2375 1.2675 1.9669 2.0311 2.2593 2.3423 2.8127 2.8627 2.9625 3.0373 3.2841 3.4071 3.5382 3.5888 3.8671 3.9086 4.0450 4.0924 7.9182 7.9435 8.3304 8.3473 8.5304 8.5463 9.4377 9.4575 k = 0.1518 0.3193 0.6638 ( 4750 PWs) bands (ev): -7.9896 -7.9893 -7.7428 -7.7426 -7.5186 -7.5179 -7.4242 -7.4235 -3.5397 -3.5293 -3.5020 -3.4839 -2.9152 -2.8807 -2.8487 -2.8408 -2.8162 -2.8113 -0.8240 -0.8066 -0.2149 -0.2087 0.1470 0.1695 1.2177 1.2458 2.0172 2.0811 2.2904 2.3727 2.8320 2.8902 2.9983 3.0564 3.3012 3.4231 3.5494 3.5960 3.8825 3.9282 4.0401 4.0866 7.8716 7.8969 8.3091 8.3250 8.5106 8.5230 9.4438 9.4609 k = 0.1607 0.3075 0.6785 ( 4760 PWs) bands (ev): -7.9767 -7.9763 -7.7433 -7.7430 -7.5257 -7.5251 -7.4296 -7.4288 -3.5378 -3.5271 -3.5023 -3.4847 -2.9124 -2.8780 -2.8490 -2.8401 -2.8169 -2.8113 -0.8181 -0.8006 -0.2581 -0.2515 0.1100 0.1316 1.1979 1.2240 2.0657 2.1288 2.3235 2.4045 2.8422 2.9100 3.0366 3.0772 3.3212 3.4395 3.5604 3.6040 3.8938 3.9431 4.0375 4.0813 7.8265 7.8514 8.2908 8.3073 8.4901 8.4998 9.4450 9.4604 k = 0.1696 0.2958 0.6933 ( 4758 PWs) bands (ev): -7.9633 -7.9629 -7.7449 -7.7447 -7.5320 -7.5314 -7.4349 -7.4341 -3.5360 -3.5249 -3.5025 -3.4856 -2.9095 -2.8755 -2.8494 -2.8394 -2.8178 -2.8114 -0.8101 -0.7925 -0.3003 -0.2930 0.0756 0.0964 1.1785 1.2027 2.1113 2.1730 2.3587 2.4378 2.8453 2.9221 3.0718 3.0997 3.3446 3.4566 3.5712 3.6133 3.9008 3.9531 4.0373 4.0766 7.7836 7.8077 8.2757 8.2938 8.4685 8.4773 9.4432 9.4587 k = 0.1786 0.2840 0.7081 ( 4762 PWs) bands (ev): -7.9497 -7.9492 -7.7479 -7.7476 -7.5373 -7.5367 -7.4403 -7.4394 -3.5342 -3.5225 -3.5028 -3.4868 -2.9066 -2.8731 -2.8499 -2.8387 -2.8187 -2.8116 -0.7999 -0.7824 -0.3412 -0.3332 0.0441 0.0640 1.1602 1.1826 2.1532 2.2130 2.3961 2.4729 2.8433 2.9272 3.0977 3.1251 3.3713 3.4750 3.5818 3.6242 3.9036 3.9585 4.0387 4.0725 7.7434 7.7662 8.2639 8.2841 8.4458 8.4558 9.4416 9.4572 k = 0.1875 0.2723 0.7228 ( 4756 PWs) bands (ev): -7.9358 -7.9354 -7.7523 -7.7519 -7.5415 -7.5409 -7.4455 -7.4446 -3.5326 -3.5201 -3.5030 -3.4881 -2.9038 -2.8709 -2.8504 -2.8379 -2.8198 -2.8119 -0.7876 -0.7703 -0.3808 -0.3719 0.0157 0.0349 1.1433 1.1640 2.1906 2.2482 2.4355 2.5098 2.8374 2.9266 3.1133 3.1506 3.4000 3.4953 3.5921 3.6372 3.9032 3.9601 4.0407 4.0687 7.7066 7.7278 8.2554 8.2777 8.4227 8.4352 9.4418 9.4567 k = 0.1964 0.2606 0.7376 ( 4748 PWs) bands (ev): -7.9220 -7.9215 -7.7580 -7.7576 -7.5446 -7.5441 -7.4505 -7.4496 -3.5311 -3.5177 -3.5033 -3.4896 -2.9011 -2.8689 -2.8508 -2.8372 -2.8209 -2.8123 -0.7732 -0.7561 -0.4190 -0.4092 -0.0093 0.0092 1.1281 1.1472 2.2229 2.2784 2.4764 2.5484 2.8281 2.9211 3.1220 3.1713 3.4285 3.5179 3.6018 3.6526 3.9008 3.9587 4.0419 4.0650 7.6737 7.6928 8.2502 8.2744 8.3997 8.4151 9.4443 9.4577 k = 0.2054 0.2488 0.7523 ( 4746 PWs) bands (ev): -7.9082 -7.9077 -7.7650 -7.7646 -7.5467 -7.5463 -7.4551 -7.4542 -3.5298 -3.5151 -3.5036 -3.4913 -2.8986 -2.8673 -2.8511 -2.8366 -2.8221 -2.8127 -0.7568 -0.7401 -0.4555 -0.4450 -0.0307 -0.0128 1.1149 1.1325 2.2498 2.3037 2.5177 2.5879 2.8158 2.9114 3.1262 3.1854 3.4541 3.5429 3.6107 3.6700 3.8975 3.9550 4.0419 4.0609 7.6453 7.6620 8.2482 8.2739 8.3773 8.3958 9.4487 9.4602 k = 0.2143 0.2371 0.7671 ( 4746 PWs) bands (ev): -7.8948 -7.8943 -7.7730 -7.7726 -7.5480 -7.5476 -7.4592 -7.4583 -3.5287 -3.5126 -3.5038 -3.4931 -2.8963 -2.8660 -2.8512 -2.8360 -2.8232 -2.8132 -0.7387 -0.7225 -0.4901 -0.4789 -0.0484 -0.0311 1.1038 1.1203 2.2715 2.3242 2.5587 2.6275 2.8007 2.8980 3.1274 3.1935 3.4749 3.5690 3.6188 3.6884 3.8946 3.9494 4.0405 4.0563 7.6217 7.6357 8.2492 8.2759 8.3561 8.3773 9.4544 9.4637 k = 0.2232 0.2253 0.7818 ( 4748 PWs) bands (ev): -7.8821 -7.8816 -7.7816 -7.7811 -7.5486 -7.5483 -7.4626 -7.4618 -3.5278 -3.5101 -3.5040 -3.4950 -2.8944 -2.8651 -2.8512 -2.8355 -2.8241 -2.8135 -0.7192 -0.7039 -0.5220 -0.5106 -0.0622 -0.0454 1.0951 1.1105 2.2881 2.3400 2.5984 2.6656 2.7828 2.8815 3.1270 3.1971 3.4904 3.5935 3.6264 3.7057 3.8933 3.9421 4.0384 4.0516 7.6033 7.6144 8.2530 8.2801 8.3363 8.3602 9.4605 9.4674 k = 0.2321 0.2136 0.7966 ( 4746 PWs) bands (ev): -7.8709 -7.8705 -7.7898 -7.7894 -7.5488 -7.5485 -7.4652 -7.4644 -3.5271 -3.5076 -3.5041 -3.4971 -2.8930 -2.8645 -2.8510 -2.8352 -2.8249 -2.8138 -0.6994 -0.6856 -0.5500 -0.5390 -0.0722 -0.0557 1.0888 1.1035 2.2998 2.3513 2.6359 2.6994 2.7629 2.8627 3.1260 3.1979 3.5009 3.6119 3.6348 3.7194 3.8949 3.9332 4.0361 4.0474 7.5904 7.5986 8.2593 8.2861 8.3185 8.3449 9.4659 9.4706 k = 0.2411 0.2018 0.8113 ( 4748 PWs) bands (ev): -7.8625 -7.8623 -7.7964 -7.7960 -7.5488 -7.5486 -7.4669 -7.4661 -3.5268 -3.5054 -3.5042 -3.4990 -2.8920 -2.8643 -2.8508 -2.8351 -2.8253 -2.8141 -0.6816 -0.6710 -0.5707 -0.5617 -0.0782 -0.0619 1.0849 1.0992 2.3067 2.3580 2.6703 2.7181 2.7481 2.8448 3.1251 3.1976 3.5069 3.6209 3.6439 3.7277 3.8998 3.9236 4.0345 4.0443 7.5829 7.5886 8.2669 8.2925 8.3039 8.3327 9.4698 9.4725 k = 0.2500 0.1901 0.8261 ( 4752 PWs) bands (ev): -7.8592 -7.8592 -7.7990 -7.7987 -7.5487 -7.5487 -7.4674 -7.4667 -3.5266 -3.5043 -3.5042 -3.5001 -2.8917 -2.8642 -2.8508 -2.8350 -2.8255 -2.8141 -0.6730 -0.6655 -0.5782 -0.5719 -0.0802 -0.0640 1.0837 1.0978 2.3090 2.3602 2.6972 2.7041 2.7507 2.8361 3.1247 3.1973 3.5089 3.6232 3.6480 3.7304 3.9042 3.9176 4.0339 4.0431 7.5806 7.5850 8.2716 8.2952 8.2977 8.3274 9.4714 9.4730 k = 0.2500 0.1901 0.8261 ( 4752 PWs) bands (ev): -7.8592 -7.8592 -7.7990 -7.7987 -7.5487 -7.5487 -7.4674 -7.4667 -3.5266 -3.5043 -3.5042 -3.5001 -2.8917 -2.8642 -2.8508 -2.8350 -2.8255 -2.8141 -0.6730 -0.6655 -0.5782 -0.5719 -0.0802 -0.0640 1.0837 1.0978 2.3090 2.3602 2.6972 2.7041 2.7507 2.8361 3.1247 3.1973 3.5089 3.6232 3.6480 3.7304 3.9042 3.9176 4.0339 4.0431 7.5806 7.5850 8.2716 8.2952 8.2977 8.3274 9.4714 9.4730 k = 0.2632 0.2001 0.8135 ( 4742 PWs) bands (ev): -7.8604 -7.8602 -7.7981 -7.7978 -7.5487 -7.5486 -7.4672 -7.4665 -3.5266 -3.5050 -3.5041 -3.4996 -2.8918 -2.8643 -2.8508 -2.8352 -2.8253 -2.8141 -0.6780 -0.6690 -0.5759 -0.5683 -0.0767 -0.0605 1.0858 1.0999 2.3024 2.3521 2.6824 2.7108 2.7560 2.8364 3.1269 3.1978 3.5092 3.6164 3.6550 3.7311 3.9026 3.9202 4.0355 4.0447 7.5767 7.5814 8.2718 8.2934 8.3036 8.3301 9.4710 9.4730 k = 0.2763 0.2101 0.8009 ( 4741 PWs) bands (ev): -7.8631 -7.8629 -7.7960 -7.7957 -7.5487 -7.5486 -7.4667 -7.4659 -3.5267 -3.5061 -3.5042 -3.4985 -2.8920 -2.8647 -2.8508 -2.8356 -2.8246 -2.8139 -0.6902 -0.6788 -0.5694 -0.5596 -0.0666 -0.0505 1.0921 1.1064 2.2832 2.3295 2.6616 2.7127 2.7649 2.8367 3.1330 3.1993 3.5102 3.6046 3.6675 3.7334 3.9004 3.9255 4.0399 4.0489 7.5651 7.5702 8.2729 8.2902 8.3187 8.3390 9.4708 9.4733 k = 0.2895 0.2201 0.7884 ( 4745 PWs) bands (ev): -7.8667 -7.8664 -7.7933 -7.7930 -7.5487 -7.5485 -7.4660 -7.4652 -3.5269 -3.5074 -3.5045 -3.4972 -2.8923 -2.8654 -2.8509 -2.8361 -2.8238 -2.8135 -0.7056 -0.6925 -0.5602 -0.5492 -0.0507 -0.0349 1.1024 1.1168 2.2536 2.2956 2.6383 2.7057 2.7737 2.8385 3.1410 3.2016 3.5121 3.5926 3.6811 3.7379 3.8997 3.9316 4.0472 4.0556 7.5465 7.5516 8.2735 8.2859 8.3420 8.3561 9.4714 9.4743 k = 0.3026 0.2301 0.7758 ( 4751 PWs) bands (ev): -7.8705 -7.8702 -7.7906 -7.7903 -7.5487 -7.5484 -7.4651 -7.4643 -3.5271 -3.5089 -3.5050 -3.4959 -2.8928 -2.8663 -2.8512 -2.8365 -2.8229 -2.8131 -0.7213 -0.7073 -0.5501 -0.5387 -0.0301 -0.0145 1.1164 1.1310 2.2161 2.2541 2.6118 2.6857 2.7848 2.8428 3.1483 3.2039 3.5142 3.5812 3.6947 3.7447 3.9011 3.9376 4.0573 4.0644 7.5223 7.5270 8.2721 8.2806 8.3723 8.3831 9.4733 9.4766 k = 0.3158 0.2401 0.7632 ( 4744 PWs) bands (ev): -7.8741 -7.8738 -7.7883 -7.7880 -7.5486 -7.5483 -7.4641 -7.4634 -3.5273 -3.5103 -3.5055 -3.4947 -2.8935 -2.8674 -2.8517 -2.8367 -2.8220 -2.8126 -0.7359 -0.7214 -0.5402 -0.5289 -0.0056 0.0097 1.1338 1.1487 2.1732 2.2079 2.5815 2.6542 2.7987 2.8488 3.1529 3.2051 3.5161 3.5706 3.7078 3.7532 3.9046 3.9428 4.0701 4.0753 7.4945 7.4983 8.2686 8.2743 8.4082 8.4196 9.4765 9.4801 k = 0.3289 0.2501 0.7506 ( 4748 PWs) bands (ev): -7.8773 -7.8770 -7.7864 -7.7861 -7.5484 -7.5480 -7.4633 -7.4626 -3.5277 -3.5118 -3.5061 -3.4936 -2.8944 -2.8688 -2.8524 -2.8367 -2.8213 -2.8121 -0.7481 -0.7334 -0.5309 -0.5202 0.0219 0.0370 1.1544 1.1694 2.1270 2.1592 2.5473 2.6149 2.8142 2.8555 3.1539 3.2039 3.5171 3.5610 3.7202 3.7626 3.9097 3.9469 4.0851 4.0885 7.4651 7.4678 8.2635 8.2675 8.4489 8.4632 9.4808 9.4849 k = 0.3421 0.2601 0.7381 ( 4753 PWs) bands (ev): -7.8800 -7.8796 -7.7852 -7.7849 -7.5481 -7.5477 -7.4626 -7.4619 -3.5282 -3.5132 -3.5068 -3.4927 -2.8954 -2.8703 -2.8532 -2.8366 -2.8208 -2.8117 -0.7573 -0.7426 -0.5225 -0.5125 0.0513 0.0662 1.1776 1.1928 2.0795 2.1098 2.5096 2.5710 2.8297 2.8620 3.1511 3.1996 3.5170 3.5524 3.7318 3.7717 3.9154 3.9496 4.1010 4.1043 7.4359 7.4375 8.2576 8.2606 8.4937 8.5116 9.4855 9.4905 k = 0.3553 0.2701 0.7255 ( 4751 PWs) bands (ev): -7.8819 -7.8816 -7.7846 -7.7844 -7.5477 -7.5473 -7.4622 -7.4614 -3.5288 -3.5147 -3.5076 -3.4919 -2.8967 -2.8720 -2.8542 -2.8364 -2.8204 -2.8113 -0.7627 -0.7482 -0.5150 -0.5059 0.0818 0.0967 1.2030 1.2184 2.0321 2.0611 2.4696 2.5246 2.8444 2.8680 3.1446 3.1919 3.5160 3.5448 3.7423 3.7798 3.9205 3.9510 4.1169 4.1215 7.4079 7.4103 8.2513 8.2545 8.5415 8.5633 9.4899 9.4962 k = 0.3684 0.2801 0.7129 ( 4747 PWs) bands (ev): -7.8832 -7.8829 -7.7848 -7.7846 -7.5472 -7.5468 -7.4620 -7.4612 -3.5295 -3.5160 -3.5085 -3.4912 -2.8983 -2.8738 -2.8551 -2.8362 -2.8202 -2.8111 -0.7641 -0.7498 -0.5083 -0.5002 0.1125 0.1274 1.2301 1.2456 1.9861 2.0143 2.4282 2.4773 2.8575 2.8731 3.1349 3.1809 3.5143 3.5383 3.7516 3.7867 3.9243 3.9511 4.1326 4.1382 7.3830 7.3873 8.2450 8.2496 8.5911 8.6169 9.4928 9.5010 k = 0.3816 0.2902 0.7004 ( 4749 PWs) bands (ev): -7.8836 -7.8833 -7.7858 -7.7856 -7.5466 -7.5461 -7.4620 -7.4613 -3.5305 -3.5172 -3.5094 -3.4908 -2.9001 -2.8756 -2.8560 -2.8361 -2.8202 -2.8111 -0.7611 -0.7471 -0.5025 -0.4955 0.1426 0.1575 1.2583 1.2738 1.9427 1.9704 2.3864 2.4304 2.8682 2.8771 3.1224 3.1668 3.5121 3.5328 3.7596 3.7924 3.9263 3.9503 4.1467 4.1527 7.3629 7.3696 8.2396 8.2458 8.6416 8.6715 9.4927 9.5037 k = 0.3947 0.3002 0.6878 ( 4747 PWs) bands (ev): -7.8832 -7.8829 -7.7876 -7.7875 -7.5458 -7.5453 -7.4624 -7.4617 -3.5316 -3.5184 -3.5104 -3.4906 -2.9022 -2.8775 -2.8567 -2.8360 -2.8204 -2.8113 -0.7536 -0.7400 -0.4975 -0.4915 0.1713 0.1863 1.2869 1.3023 1.9028 1.9304 2.3455 2.3849 2.8739 2.8815 3.1077 3.1502 3.5099 3.5282 3.7661 3.7968 3.9264 3.9488 4.1578 4.1635 7.3486 7.3579 8.2356 8.2437 8.6919 8.7259 9.4880 9.5028 k = 0.4079 0.3102 0.6752 ( 4741 PWs) bands (ev): -7.8820 -7.8817 -7.7903 -7.7902 -7.5448 -7.5443 -7.4630 -7.4623 -3.5329 -3.5194 -3.5114 -3.4905 -2.9046 -2.8794 -2.8574 -2.8359 -2.8209 -2.8116 -0.7414 -0.7282 -0.4932 -0.4882 0.1978 0.2128 1.3150 1.3305 1.8674 1.8953 2.3064 2.3419 2.8736 2.8865 3.0913 3.1318 3.5078 3.5245 3.7709 3.8000 3.9250 3.9469 4.1646 4.1697 7.3410 7.3528 8.2334 8.2435 8.7412 8.7791 9.4776 9.4971 k = 0.4211 0.3202 0.6627 ( 4736 PWs) bands (ev): -7.8799 -7.8797 -7.7940 -7.7938 -7.5437 -7.5432 -7.4638 -7.4631 -3.5344 -3.5203 -3.5123 -3.4907 -2.9072 -2.8813 -2.8580 -2.8359 -2.8216 -2.8122 -0.7247 -0.7120 -0.4897 -0.4854 0.2213 0.2364 1.3416 1.3576 1.8371 1.8659 2.2701 2.3025 2.8693 2.8891 3.0738 3.1124 3.5059 3.5215 3.7740 3.8019 3.9228 3.9448 4.1660 4.1707 7.3402 7.3546 8.2333 8.2455 8.7882 8.8299 9.4609 9.4857 k = 0.4342 0.3302 0.6501 ( 4736 PWs) bands (ev): -7.8770 -7.8768 -7.7986 -7.7985 -7.5425 -7.5419 -7.4646 -7.4639 -3.5361 -3.5212 -3.5132 -3.4909 -2.9100 -2.8832 -2.8585 -2.8360 -2.8224 -2.8128 -0.7036 -0.6913 -0.4867 -0.4831 0.2414 0.2565 1.3658 1.3829 1.8123 1.8429 2.2375 2.2676 2.8613 2.8881 3.0558 3.0928 3.5041 3.5192 3.7753 3.8023 3.9201 3.9427 4.1617 4.1663 7.3463 7.3631 8.2355 8.2499 8.8319 8.8771 9.4384 9.4685 k = 0.4474 0.3402 0.6375 ( 4736 PWs) bands (ev): -7.8734 -7.8731 -7.8042 -7.8040 -7.5410 -7.5405 -7.4655 -7.4648 -3.5379 -3.5221 -3.5140 -3.4913 -2.9129 -2.8850 -2.8590 -2.8361 -2.8233 -2.8136 -0.6783 -0.6665 -0.4843 -0.4809 0.2575 0.2726 1.3866 1.4056 1.7931 1.8267 2.2095 2.2382 2.8495 2.8827 3.0378 3.0739 3.5022 3.5173 3.7747 3.8009 3.9176 3.9407 4.1517 4.1568 7.3588 7.3779 8.2402 8.2570 8.8710 8.9191 9.4111 9.4465 k = 0.4605 0.3502 0.6250 ( 4744 PWs) bands (ev): -7.8692 -7.8689 -7.8108 -7.8105 -7.5394 -7.5389 -7.4663 -7.4656 -3.5397 -3.5229 -3.5147 -3.4918 -2.9159 -2.8868 -2.8593 -2.8364 -2.8243 -2.8145 -0.6493 -0.6380 -0.4823 -0.4786 0.2695 0.2846 1.4031 1.4250 1.7796 1.8173 2.1868 2.2153 2.8338 2.8725 3.0205 3.0564 3.5000 3.5154 3.7723 3.7977 3.9151 3.9385 4.1370 4.1429 7.3771 7.3981 8.2476 8.2668 8.9036 8.9541 9.3810 9.4214 k = 0.4737 0.3602 0.6124 ( 4740 PWs) bands (ev): -7.8647 -7.8643 -7.8179 -7.8176 -7.5376 -7.5371 -7.4669 -7.4662 -3.5416 -3.5238 -3.5153 -3.4924 -2.9189 -2.8887 -2.8596 -2.8367 -2.8252 -2.8155 -0.6176 -0.6068 -0.4800 -0.4757 0.2774 0.2924 1.4153 1.4404 1.7713 1.8139 2.1702 2.1996 2.8144 2.8574 3.0042 3.0407 3.4971 3.5130 3.7682 3.7931 3.9121 3.9354 4.1193 4.1260 7.4002 7.4228 8.2574 8.2793 8.9276 8.9796 9.3498 9.3959 k = 0.4868 0.3702 0.5998 ( 4740 PWs) bands (ev): -7.8611 -7.8606 -7.8247 -7.8243 -7.5357 -7.5351 -7.4672 -7.4666 -3.5435 -3.5247 -3.5158 -3.4930 -2.9219 -2.8904 -2.8598 -2.8372 -2.8261 -2.8165 -0.5850 -0.5747 -0.4760 -0.4708 0.2814 0.2962 1.4232 1.4515 1.7679 1.8153 2.1603 2.1914 2.7917 2.8375 2.9890 3.0269 3.4930 3.5098 3.7627 3.7875 3.9069 3.9300 4.1012 4.1085 7.4269 7.4506 8.2693 8.2940 8.9402 8.9929 9.3189 9.3725 k = 0.5000 0.3802 0.5872 ( 4738 PWs) bands (ev): -7.8608 -7.8602 -7.8287 -7.8281 -7.5335 -7.5330 -7.4672 -7.4665 -3.5452 -3.5257 -3.5163 -3.4936 -2.9247 -2.8922 -2.8600 -2.8378 -2.8267 -2.8175 -0.5558 -0.5458 -0.4664 -0.4602 0.2820 0.2967 1.4274 1.4582 1.7685 1.8199 2.1573 2.1906 2.7661 2.8138 2.9749 3.0147 3.4872 3.5049 3.7560 3.7811 3.8976 3.9206 4.0857 4.0934 7.4560 7.4805 8.2827 8.3102 8.9388 8.9915 9.2866 9.3485 k = 0.5000 0.3802 0.5872 ( 4738 PWs) bands (ev): -7.8608 -7.8602 -7.8287 -7.8281 -7.5335 -7.5330 -7.4672 -7.4665 -3.5452 -3.5257 -3.5163 -3.4936 -2.9247 -2.8922 -2.8600 -2.8378 -2.8267 -2.8175 -0.5558 -0.5458 -0.4664 -0.4602 0.2820 0.2967 1.4274 1.4582 1.7685 1.8199 2.1573 2.1906 2.7661 2.8138 2.9749 3.0147 3.4872 3.5049 3.7560 3.7811 3.8976 3.9206 4.0857 4.0934 7.4560 7.4805 8.2827 8.3102 8.9388 8.9915 9.2866 9.3485 k = 0.5000 0.3802 0.5663 ( 4740 PWs) bands (ev): -7.8660 -7.8654 -7.8302 -7.8296 -7.5295 -7.5289 -7.4666 -7.4660 -3.5480 -3.5273 -3.5170 -3.4946 -2.9291 -2.8952 -2.8602 -2.8389 -2.8277 -2.8192 -0.5133 -0.5043 -0.4419 -0.4342 0.2815 0.2954 1.4322 1.4665 1.7725 1.8298 2.1580 2.1953 2.7213 2.7711 2.9531 2.9959 3.4755 3.4949 3.7436 3.7698 3.8779 3.9011 4.0633 4.0715 7.5067 7.5317 8.3030 8.3359 8.9171 8.9698 9.2256 9.2946 k = 0.5000 0.3802 0.5453 ( 4736 PWs) bands (ev): -7.8727 -7.8722 -7.8309 -7.8303 -7.5248 -7.5242 -7.4658 -7.4653 -3.5505 -3.5290 -3.5179 -3.4957 -2.9331 -2.8984 -2.8606 -2.8401 -2.8286 -2.8209 -0.4714 -0.4636 -0.4169 -0.4079 0.2828 0.2950 1.4380 1.4761 1.7770 1.8403 2.1583 2.1997 2.6773 2.7285 2.9333 2.9784 3.4633 3.4843 3.7311 3.7579 3.8584 3.8818 4.0403 4.0490 7.5582 7.5835 8.3170 8.3554 8.8847 8.9384 9.1601 9.2277 k = 0.5000 0.3802 0.5243 ( 4738 PWs) bands (ev): -7.8807 -7.8803 -7.8312 -7.8307 -7.5196 -7.5190 -7.4646 -7.4642 -3.5527 -3.5308 -3.5189 -3.4968 -2.9366 -2.9016 -2.8609 -2.8414 -2.8294 -2.8225 -0.4318 -0.4248 -0.3915 -0.3818 0.2868 0.2963 1.4451 1.4871 1.7821 1.8517 2.1581 2.2039 2.6349 2.6869 2.9156 2.9625 3.4505 3.4729 3.7187 3.7455 3.8393 3.8630 4.0169 4.0262 7.6097 7.6348 8.3223 8.3656 8.8462 8.9012 9.0898 9.1397 k = 0.5000 0.3802 0.5034 ( 4736 PWs) bands (ev): -7.8896 -7.8892 -7.8315 -7.8310 -7.5138 -7.5132 -7.4631 -7.4627 -3.5545 -3.5325 -3.5200 -3.4978 -2.9395 -2.9048 -2.8613 -2.8429 -2.8302 -2.8239 -0.3958 -0.3904 -0.3646 -0.3567 0.2946 0.3002 1.4536 1.4999 1.7877 1.8636 2.1574 2.2077 2.5949 2.6469 2.9002 2.9484 3.4372 3.4609 3.7067 3.7325 3.8207 3.8446 3.9935 4.0035 7.6604 7.6847 8.3170 8.3635 8.8047 8.8595 9.0146 9.0531 k = 0.5000 0.3802 0.4824 ( 4740 PWs) bands (ev): -7.8992 -7.8988 -7.8319 -7.8314 -7.5075 -7.5070 -7.4611 -7.4608 -3.5558 -3.5344 -3.5212 -3.4987 -2.9419 -2.9079 -2.8616 -2.8446 -2.8310 -2.8251 -0.3649 -0.3631 -0.3351 -0.3333 0.3069 0.3080 1.4638 1.5146 1.7941 1.8763 2.1559 2.2109 2.5579 2.6092 2.8873 2.9362 3.4233 3.4483 3.6951 3.7187 3.8031 3.8269 3.9702 3.9813 7.7091 7.7320 8.3001 8.3472 8.7595 8.8111 8.9354 8.9762 k = 0.5000 0.3802 0.4614 ( 4740 PWs) bands (ev): -7.9092 -7.9089 -7.8326 -7.8321 -7.5008 -7.5003 -7.4586 -7.4584 -3.5568 -3.5363 -3.5225 -3.4996 -2.9438 -2.9109 -2.8619 -2.8465 -2.8315 -2.8262 -0.3447 -0.3385 -0.3122 -0.3050 0.3199 0.3257 1.4758 1.5316 1.8010 1.8895 2.1537 2.2136 2.5246 2.5743 2.8770 2.9260 3.4089 3.4350 3.6839 3.7041 3.7865 3.8099 3.9475 3.9597 7.7545 7.7752 8.2721 8.3168 8.7060 8.7520 8.8566 8.9105 k = 0.5000 0.3802 0.4404 ( 4746 PWs) bands (ev): -7.9195 -7.9192 -7.8336 -7.8331 -7.4938 -7.4932 -7.4558 -7.4555 -3.5573 -3.5382 -3.5238 -3.5004 -2.9451 -2.9137 -2.8621 -2.8488 -2.8320 -2.8272 -0.3319 -0.3206 -0.2917 -0.2780 0.3382 0.3506 1.4897 1.5509 1.8086 1.9032 2.1507 2.2156 2.4956 2.5427 2.8693 2.9180 3.3940 3.4211 3.6727 3.6888 3.7711 3.7941 3.9254 3.9392 7.7950 7.8125 8.2349 8.2748 8.6414 8.6803 8.7840 8.8464 k = 0.5000 0.3802 0.4195 ( 4738 PWs) bands (ev): -7.9300 -7.9298 -7.8351 -7.8345 -7.4864 -7.4858 -7.4524 -7.4522 -3.5574 -3.5402 -3.5251 -3.5011 -2.9460 -2.9162 -2.8622 -2.8513 -2.8323 -2.8280 -0.3261 -0.3111 -0.2715 -0.2550 0.3629 0.3819 1.5057 1.5726 1.8170 1.9171 2.1468 2.2169 2.4714 2.5149 2.8641 2.9121 3.3786 3.4067 3.6597 3.6745 3.7565 3.7799 3.9043 3.9198 7.8287 7.8418 8.1911 8.2247 8.5680 8.5998 8.7198 8.7805 k = 0.5000 0.3802 0.3985 ( 4738 PWs) bands (ev): -7.9406 -7.9404 -7.8369 -7.8363 -7.4787 -7.4782 -7.4487 -7.4484 -3.5571 -3.5421 -3.5265 -3.5017 -2.9464 -2.9183 -2.8623 -2.8539 -2.8326 -2.8287 -0.3278 -0.3093 -0.2527 -0.2358 0.3942 0.4194 1.5237 1.5967 1.8260 1.9311 2.1423 2.2175 2.4524 2.4913 2.8614 2.9083 3.3628 3.3919 3.6429 3.6629 3.7423 3.7681 3.8846 3.9018 7.8532 7.8606 8.1436 8.1699 8.4904 8.5156 8.6645 8.7180 k = 0.5000 0.3802 0.3775 ( 4746 PWs) bands (ev): -7.9512 -7.9510 -7.8391 -7.8385 -7.4709 -7.4704 -7.4445 -7.4441 -3.5564 -3.5440 -3.5278 -3.5022 -2.9466 -2.9198 -2.8624 -2.8566 -2.8330 -2.8291 -0.3365 -0.3144 -0.2359 -0.2200 0.4317 0.4620 1.5435 1.6227 1.8356 1.9447 2.1372 2.2173 2.4388 2.4725 2.8610 2.9066 3.3466 3.3767 3.6229 3.6531 3.7282 3.7590 3.8663 3.8852 7.8650 7.8673 8.0947 8.1133 8.4116 8.4314 8.6192 8.6638 k = 0.5000 0.3802 0.3565 ( 4742 PWs) bands (ev): -7.9616 -7.9615 -7.8417 -7.8410 -7.4630 -7.4625 -7.4399 -7.4395 -3.5553 -3.5457 -3.5292 -3.5027 -2.9465 -2.9208 -2.8625 -2.8593 -2.8335 -2.8294 -0.3512 -0.3258 -0.2215 -0.2073 0.4745 0.5090 1.5648 1.6501 1.8460 1.9574 2.1319 2.2165 2.4305 2.4593 2.8628 2.9068 3.3302 3.3613 3.6010 3.6431 3.7150 3.7525 3.8497 3.8701 7.8573 7.8653 8.0456 8.0573 8.3331 8.3490 8.5850 8.6212 k = 0.5000 0.3802 0.3356 ( 4746 PWs) bands (ev): -7.9719 -7.9718 -7.8446 -7.8439 -7.4550 -7.4545 -7.4351 -7.4346 -3.5539 -3.5473 -3.5305 -3.5031 -2.9463 -2.9211 -2.8635 -2.8610 -2.8341 -2.8295 -0.3707 -0.3427 -0.2097 -0.1972 0.5215 0.5590 1.5874 1.6781 1.8569 1.9684 2.1269 2.2151 2.4272 2.4531 2.8665 2.9088 3.3136 3.3457 3.5779 3.6316 3.7037 3.7483 3.8347 3.8566 7.8352 7.8499 7.9952 8.0045 8.2557 8.2698 8.5620 8.5923 k = 0.5000 0.3802 0.3146 ( 4750 PWs) bands (ev): -7.9819 -7.9818 -7.8478 -7.8471 -7.4471 -7.4466 -7.4300 -7.4294 -3.5524 -3.5486 -3.5319 -3.5034 -2.9461 -2.9207 -2.8659 -2.8611 -2.8349 -2.8295 -0.3939 -0.3641 -0.2005 -0.1895 0.5715 0.6113 1.6107 1.7058 1.8683 1.9769 2.1229 2.2132 2.4279 2.4555 2.8720 2.9125 3.2970 3.3300 3.5537 3.6173 3.6954 3.7459 3.8215 3.8445 7.8025 7.8223 7.9426 7.9549 8.1798 8.1942 8.5492 8.5765 k = 0.5000 0.3802 0.2936 ( 4746 PWs) bands (ev): -7.9916 -7.9915 -7.8511 -7.8504 -7.4393 -7.4388 -7.4247 -7.4241 -3.5517 -3.5486 -3.5333 -3.5037 -2.9459 -2.9196 -2.8686 -2.8608 -2.8356 -2.8295 -0.4198 -0.3889 -0.1936 -0.1842 0.6237 0.6649 1.6342 1.7320 1.8798 1.9819 2.1207 2.2111 2.4329 2.4670 2.8789 2.9177 3.2804 3.3142 3.5286 3.5999 3.6904 3.7451 3.8099 3.8339 7.7636 7.7862 7.8900 7.9053 8.1062 8.1221 8.5448 8.5710 k = 0.5000 0.3802 0.2727 ( 4742 PWs) bands (ev): -8.0009 -8.0008 -7.8546 -7.8539 -7.4317 -7.4312 -7.4193 -7.4187 -3.5523 -3.5469 -3.5346 -3.5040 -2.9457 -2.9179 -2.8711 -2.8604 -2.8365 -2.8295 -0.4474 -0.4162 -0.1889 -0.1808 0.6772 0.7190 1.6574 1.7559 1.8909 1.9827 2.1209 2.2090 2.4434 2.4869 2.8870 2.9242 3.2641 3.2985 3.5028 3.5797 3.6883 3.7455 3.7998 3.8248 7.7219 7.7457 7.8380 7.8549 8.0359 8.0533 8.5462 8.5717 k = 0.5000 0.3802 0.2517 ( 4738 PWs) bands (ev): -8.0097 -8.0097 -7.8582 -7.8575 -7.4242 -7.4238 -7.4139 -7.4134 -3.5532 -3.5445 -3.5360 -3.5043 -2.9454 -2.9160 -2.8734 -2.8599 -2.8373 -2.8296 -0.4758 -0.4450 -0.1861 -0.1792 0.7310 0.7730 1.6799 1.7768 1.9007 1.9792 2.1236 2.2068 2.4605 2.5144 2.8962 2.9319 3.2480 3.2829 3.4761 3.5572 3.6884 3.7470 3.7911 3.8170 7.6801 7.7041 7.7872 7.8043 7.9692 7.9879 8.5497 8.5741 k = 0.5000 0.3802 0.2307 ( 4726 PWs) bands (ev): -8.0181 -8.0180 -7.8617 -7.8611 -7.4171 -7.4167 -7.4086 -7.4080 -3.5540 -3.5420 -3.5373 -3.5045 -2.9450 -2.9139 -2.8752 -2.8593 -2.8382 -2.8297 -0.5044 -0.4746 -0.1850 -0.1791 0.7847 0.8262 1.7012 1.7945 1.9083 1.9718 2.1284 2.2049 2.4849 2.5486 2.9060 2.9405 3.2323 3.2675 3.4486 3.5330 3.6902 3.7493 3.7835 3.8104 7.6400 7.6636 7.7384 7.7548 7.9066 7.9259 8.5490 8.5713 k = 0.5000 0.3802 0.2097 ( 4722 PWs) bands (ev): -8.0258 -8.0257 -7.8652 -7.8646 -7.4104 -7.4099 -7.4034 -7.4029 -3.5547 -3.5401 -3.5378 -3.5048 -2.9444 -2.9121 -2.8763 -2.8586 -2.8392 -2.8300 -0.5325 -0.5041 -0.1853 -0.1803 0.8375 0.8781 1.7212 1.8091 1.9130 1.9612 2.1347 2.2032 2.5164 2.5885 2.9165 2.9499 3.2171 3.2522 3.4201 3.5070 3.6932 3.7523 3.7769 3.8050 7.6025 7.6256 7.6922 7.7075 7.8484 7.8677 8.5312 8.5521 k = 0.5000 0.3802 0.1888 ( 4722 PWs) bands (ev): -8.0330 -8.0329 -7.8686 -7.8680 -7.4041 -7.4036 -7.3985 -7.3980 -3.5552 -3.5407 -3.5357 -3.5052 -2.9436 -2.9110 -2.8764 -2.8578 -2.8401 -2.8305 -0.5595 -0.5329 -0.1867 -0.1824 0.8888 0.9280 1.7395 1.8211 1.9144 1.9481 2.1417 2.2019 2.5545 2.6333 2.9273 2.9599 3.2025 3.2372 3.3906 3.4796 3.6970 3.7556 3.7713 3.8006 7.5685 7.5909 7.6493 7.6632 7.7948 7.8136 8.4916 8.5111 k = 0.5000 0.3802 0.1678 ( 4726 PWs) bands (ev): -8.0395 -8.0394 -7.8718 -7.8712 -7.3983 -7.3978 -7.3939 -7.3934 -3.5554 -3.5420 -3.5330 -3.5056 -2.9426 -2.9107 -2.8754 -2.8570 -2.8411 -2.8312 -0.5849 -0.5604 -0.1888 -0.1852 0.9381 0.9755 1.7561 1.8307 1.9126 1.9336 2.1490 2.2008 2.5981 2.6816 2.9383 2.9702 3.1887 3.2225 3.3599 3.4506 3.7015 3.7592 3.7663 3.7970 7.5383 7.5600 7.6104 7.6226 7.7460 7.7639 8.4418 8.4598 k = 0.5000 0.3802 0.1468 ( 4722 PWs) bands (ev): -8.0453 -8.0452 -7.8747 -7.8742 -7.3930 -7.3926 -7.3897 -7.3893 -3.5556 -3.5434 -3.5302 -3.5061 -2.9414 -2.9112 -2.8733 -2.8561 -2.8421 -2.8321 -0.6082 -0.5861 -0.1914 -0.1884 0.9849 1.0198 1.7708 1.8383 1.9079 1.9182 2.1561 2.2000 2.6460 2.7325 2.9495 2.9806 3.1759 3.2081 3.3280 3.4200 3.7063 3.7612 3.7637 3.7942 7.5124 7.5331 7.5760 7.5864 7.7021 7.7188 8.3896 8.4063 k = 0.5000 0.3802 0.1258 ( 4710 PWs) bands (ev): -8.0504 -8.0503 -7.8773 -7.8769 -7.3883 -7.3880 -7.3859 -7.3855 -3.5555 -3.5447 -3.5274 -3.5067 -2.9399 -2.9126 -2.8704 -2.8552 -2.8432 -2.8333 -0.6289 -0.6095 -0.1942 -0.1917 1.0283 1.0602 1.7837 1.8442 1.8995 1.9044 2.1628 2.1993 2.6969 2.7846 2.9606 2.9907 3.1643 3.1940 3.2949 3.3878 3.7112 3.7577 3.7670 3.7920 7.4907 7.5101 7.5464 7.5549 7.6634 7.6785 8.3388 8.3542 k = 0.5000 0.3802 0.1049 ( 4720 PWs) bands (ev): -8.0547 -8.0547 -7.8796 -7.8793 -7.3843 -7.3839 -7.3826 -7.3822 -3.5552 -3.5461 -3.5248 -3.5075 -2.9382 -2.9145 -2.8669 -2.8542 -2.8442 -2.8348 -0.6468 -0.6303 -0.1969 -0.1949 1.0677 1.0960 1.7947 1.8483 1.8858 1.8953 2.1690 2.1986 2.7493 2.8367 2.9716 3.0001 3.1543 3.1803 3.2606 3.3539 3.7161 3.7541 3.7704 3.7903 7.4733 7.4909 7.5219 7.5285 7.6300 7.6432 8.2919 8.3058 k = 0.5000 0.3802 0.0839 ( 4708 PWs) bands (ev): -8.0583 -8.0583 -7.8815 -7.8812 -7.3809 -7.3806 -7.3798 -7.3795 -3.5549 -3.5474 -3.5222 -3.5084 -2.9363 -2.9167 -2.8631 -2.8532 -2.8453 -2.8366 -0.6615 -0.6481 -0.1994 -0.1978 1.1024 1.1263 1.8038 1.8504 1.8727 1.8874 2.1747 2.1979 2.8019 2.8869 2.9823 3.0081 3.1467 3.1670 3.2258 3.3184 3.7209 3.7507 3.7737 3.7889 7.4599 7.4749 7.5029 7.5074 7.6021 7.6132 8.2508 8.2628 k = 0.5000 0.3802 0.0629 ( 4698 PWs) bands (ev): -8.0612 -8.0611 -7.8830 -7.8828 -7.3783 -7.3780 -7.3775 -7.3773 -3.5543 -3.5486 -3.5198 -3.5094 -2.9342 -2.9192 -2.8593 -2.8521 -2.8463 -2.8388 -0.6729 -0.6627 -0.2015 -0.2003 1.1315 1.1503 1.8111 1.8484 1.8642 1.8802 2.1798 2.1968 2.8535 2.9326 2.9929 3.0142 3.1421 3.1544 3.1918 3.2817 3.7254 3.7474 3.7767 3.7876 7.4503 7.4619 7.4891 7.4918 7.5801 7.5888 8.2174 8.2270 k = 0.5000 0.3802 0.0419 ( 4704 PWs) bands (ev): -8.0632 -8.0632 -7.8841 -7.8840 -7.3764 -7.3762 -7.3759 -7.3757 -3.5536 -3.5498 -3.5176 -3.5107 -2.9319 -2.9218 -2.8556 -2.8509 -2.8474 -2.8413 -0.6806 -0.6737 -0.2030 -0.2023 1.1542 1.1672 1.8168 1.8413 1.8625 1.8742 2.1842 2.1954 2.9023 2.9684 3.0035 3.0174 3.1379 3.1458 3.1631 3.2445 3.7297 3.7441 3.7792 3.7863 7.4440 7.4518 7.4799 7.4816 7.5643 7.5703 8.1930 8.1998 k = 0.5000 0.3802 0.0210 ( 4704 PWs) bands (ev): -8.0644 -8.0644 -7.8848 -7.8847 -7.3752 -7.3751 -7.3748 -7.3748 -3.5528 -3.5509 -3.5156 -3.5121 -2.9295 -2.9244 -2.8524 -2.8497 -2.8483 -2.8440 -0.6846 -0.6811 -0.2039 -0.2035 1.1695 1.1762 1.8219 1.8335 1.8638 1.8696 2.1879 2.1935 2.9457 2.9856 3.0125 3.0174 3.1288 3.1383 3.1585 3.2087 3.7336 3.7408 3.7815 3.7849 7.4410 7.4448 7.4750 7.4759 7.5551 7.5583 8.1787 8.1822 k = 0.5000 0.3802-0.0000 ( 4704 PWs) bands (ev): -8.0648 -8.0648 -7.8850 -7.8850 -7.3748 -7.3748 -7.3745 -7.3745 -3.5519 -3.5519 -3.5138 -3.5138 -2.9270 -2.9270 -2.8503 -2.8503 -2.8467 -2.8467 -0.6848 -0.6848 -0.2041 -0.2041 1.1770 1.1770 1.8271 1.8271 1.8662 1.8662 2.1910 2.1910 2.9773 2.9773 3.0156 3.0156 3.1287 3.1287 3.1781 3.1781 3.7373 3.7373 3.7834 3.7834 7.4412 7.4412 7.4738 7.4738 7.5531 7.5531 8.1750 8.1750 k = 0.0000 0.0000 0.8261 ( 4736 PWs) bands (ev): -7.8605 -7.8605 -7.7992 -7.7992 -7.5469 -7.5469 -7.4666 -7.4666 -3.5184 -3.5184 -3.4996 -3.4996 -2.8786 -2.8786 -2.8466 -2.8466 -2.8099 -2.8099 -0.8401 -0.8401 -0.6282 -0.6282 0.3055 0.3055 1.4132 1.4132 1.7568 1.7568 2.1510 2.1510 3.0741 3.0741 3.2009 3.2009 3.5658 3.5658 3.8459 3.8459 4.0674 4.0674 4.2228 4.2228 7.1281 7.1281 8.0698 8.0698 8.6576 8.6576 9.4357 9.4357 k = 0.0167 0.0127 0.8261 ( 4740 PWs) bands (ev): -7.8605 -7.8605 -7.7992 -7.7992 -7.5470 -7.5469 -7.4667 -7.4666 -3.5194 -3.5174 -3.4996 -3.4995 -2.8798 -2.8774 -2.8469 -2.8463 -2.8103 -2.8097 -0.8388 -0.8387 -0.6279 -0.6275 0.3003 0.3023 1.4069 1.4095 1.7613 1.7623 2.1543 2.1622 3.0721 3.0724 3.1998 3.2019 3.5648 3.5665 3.8454 3.8459 4.0647 4.0649 4.2206 4.2208 7.1320 7.1320 8.0718 8.0724 8.6552 8.6554 9.4363 9.4364 k = 0.0333 0.0253 0.8261 ( 4738 PWs) bands (ev): -7.8605 -7.8605 -7.7992 -7.7992 -7.5470 -7.5470 -7.4667 -7.4665 -3.5203 -3.5164 -3.4997 -3.4995 -2.8811 -2.8762 -2.8472 -2.8458 -2.8108 -2.8096 -0.8348 -0.8344 -0.6265 -0.6257 0.2868 0.2907 1.3912 1.3962 1.7756 1.7781 2.1718 2.1869 3.0665 3.0669 3.1985 3.2029 3.5635 3.5670 3.8443 3.8454 4.0571 4.0575 4.2143 4.2148 7.1435 7.1436 8.0784 8.0795 8.6480 8.6483 9.4382 9.4383 k = 0.0500 0.0380 0.8261 ( 4734 PWs) bands (ev): -7.8604 -7.8604 -7.7992 -7.7991 -7.5471 -7.5471 -7.4668 -7.4665 -3.5212 -3.5154 -3.4998 -3.4995 -2.8823 -2.8750 -2.8474 -2.8454 -2.8116 -2.8097 -0.8280 -0.8274 -0.6241 -0.6229 0.2659 0.2715 1.3677 1.3748 1.7993 1.8039 2.2014 2.2231 3.0571 3.0577 3.1969 3.2037 3.5617 3.5675 3.8426 3.8442 4.0450 4.0454 4.2043 4.2049 7.1624 7.1625 8.0892 8.0908 8.6360 8.6364 9.4412 9.4413 k = 0.0667 0.0507 0.8261 ( 4720 PWs) bands (ev): -7.8603 -7.8603 -7.7992 -7.7991 -7.5472 -7.5472 -7.4668 -7.4665 -3.5221 -3.5143 -3.4999 -3.4996 -2.8835 -2.8738 -2.8476 -2.8448 -2.8125 -2.8099 -0.8187 -0.8178 -0.6208 -0.6192 0.2387 0.2459 1.3385 1.3475 1.8317 1.8387 2.2406 2.2682 3.0439 3.0448 3.1950 3.2045 3.5596 3.5679 3.8401 3.8420 4.0289 4.0293 4.1911 4.1916 7.1881 7.1884 8.1038 8.1060 8.6190 8.6196 9.4452 9.4452 k = 0.0833 0.0634 0.8261 ( 4724 PWs) bands (ev): -7.8602 -7.8602 -7.7992 -7.7990 -7.5474 -7.5474 -7.4669 -7.4665 -3.5228 -3.5132 -3.5001 -3.4996 -2.8847 -2.8726 -2.8479 -2.8441 -2.8135 -2.8103 -0.8070 -0.8058 -0.6167 -0.6147 0.2065 0.2151 1.3058 1.3163 1.8717 1.8814 2.2866 2.3197 3.0270 3.0279 3.1926 3.2052 3.5569 3.5684 3.8365 3.8383 4.0099 4.0102 4.1753 4.1756 7.2200 7.2205 8.1218 8.1246 8.5970 8.5978 9.4498 9.4498 k = 0.1000 0.0760 0.8261 ( 4726 PWs) bands (ev): -7.8601 -7.8601 -7.7991 -7.7990 -7.5475 -7.5475 -7.4670 -7.4665 -3.5235 -3.5122 -3.5003 -3.4997 -2.8858 -2.8714 -2.8481 -2.8433 -2.8147 -2.8107 -0.7933 -0.7917 -0.6120 -0.6096 0.1707 0.1805 1.2718 1.2833 1.9179 1.9305 2.3373 2.3756 3.0063 3.0073 3.1896 3.2057 3.5536 3.5691 3.8312 3.8324 3.9892 3.9894 4.1577 4.1578 7.2573 7.2580 8.1424 8.1457 8.5702 8.5711 9.4547 9.4547 k = 0.1167 0.0887 0.8261 ( 4742 PWs) bands (ev): -7.8600 -7.8599 -7.7991 -7.7990 -7.5477 -7.5477 -7.4671 -7.4665 -3.5242 -3.5112 -3.5006 -3.4997 -2.8869 -2.8702 -2.8484 -2.8425 -2.8159 -2.8112 -0.7777 -0.7757 -0.6069 -0.6041 0.1327 0.1436 1.2379 1.2502 1.9687 1.9845 2.3904 2.4340 2.9819 2.9830 3.1857 3.2058 3.5496 3.5702 3.8231 3.8236 3.9685 3.9689 4.1385 4.1392 7.2989 7.2998 8.1649 8.1687 8.5389 8.5399 9.4594 9.4595 k = 0.1333 0.1014 0.8261 ( 4760 PWs) bands (ev): -7.8598 -7.8598 -7.7991 -7.7989 -7.5479 -7.5479 -7.4671 -7.4666 -3.5247 -3.5102 -3.5009 -3.4998 -2.8880 -2.8691 -2.8488 -2.8415 -2.8173 -2.8117 -0.7609 -0.7583 -0.6016 -0.5983 0.0940 0.1059 1.2054 1.2183 2.0227 2.0418 2.4443 2.4931 2.9541 2.9552 3.1806 3.2056 3.5449 3.5720 3.8090 3.8132 3.9496 3.9509 4.1190 4.1206 7.3436 7.3449 8.1883 8.1925 8.5037 8.5049 9.4637 9.4639 k = 0.1500 0.1141 0.8261 ( 4756 PWs) bands (ev): -7.8597 -7.8596 -7.7991 -7.7989 -7.5481 -7.5481 -7.4672 -7.4666 -3.5252 -3.5092 -3.5012 -3.4999 -2.8889 -2.8680 -2.8491 -2.8404 -2.8188 -2.8122 -0.7434 -0.7401 -0.5964 -0.5926 0.0559 0.0687 1.1754 1.1887 2.0782 2.1009 2.4971 2.5512 2.9236 2.9243 3.1743 3.2050 3.5395 3.5748 3.7895 3.7995 3.9340 3.9370 4.0999 4.1025 7.3900 7.3918 8.2117 8.2161 8.4658 8.4672 9.4671 9.4676 k = 0.1667 0.1267 0.8261 ( 4746 PWs) bands (ev): -7.8596 -7.8595 -7.7990 -7.7988 -7.5483 -7.5482 -7.4673 -7.4666 -3.5257 -3.5082 -3.5016 -3.4999 -2.8897 -2.8670 -2.8495 -2.8393 -2.8203 -2.8127 -0.7258 -0.7218 -0.5914 -0.5872 0.0197 0.0334 1.1487 1.1623 2.1334 2.1603 2.5473 2.6059 2.8910 2.8916 3.1664 3.2039 3.5333 3.5787 3.7653 3.7836 3.9224 3.9277 4.0820 4.0859 7.4364 7.4387 8.2340 8.2381 8.4265 8.4285 9.4696 9.4703 k = 0.1833 0.1394 0.8261 ( 4742 PWs) bands (ev): -7.8595 -7.8594 -7.7990 -7.7988 -7.5484 -7.5484 -7.4673 -7.4666 -3.5260 -3.5073 -3.5020 -3.5000 -2.8904 -2.8661 -2.8499 -2.8382 -2.8217 -2.8132 -0.7092 -0.7043 -0.5869 -0.5822 -0.0130 0.0015 1.1260 1.1398 2.1863 2.2180 2.5933 2.6539 2.8563 2.8608 3.1570 3.2024 3.5266 3.5843 3.7381 3.7671 3.9145 3.9222 4.0660 4.0713 7.4808 7.4836 8.2542 8.2571 8.3880 8.3913 9.4710 9.4720 k = 0.2000 0.1521 0.8261 ( 4738 PWs) bands (ev): -7.8594 -7.8593 -7.7990 -7.7988 -7.5485 -7.5485 -7.4674 -7.4666 -3.5263 -3.5065 -3.5025 -3.5000 -2.8910 -2.8653 -2.8502 -2.8370 -2.8231 -2.8136 -0.6946 -0.6888 -0.5832 -0.5780 -0.0408 -0.0256 1.1078 1.1217 2.2340 2.2714 2.6335 2.6891 2.8218 2.8369 3.1464 3.2007 3.5200 3.5920 3.7101 3.7521 3.9094 3.9193 4.0526 4.0594 7.5204 7.5238 8.2710 8.2711 8.3528 8.3592 9.4716 9.4728 k = 0.2167 0.1648 0.8261 ( 4734 PWs) bands (ev): -7.8593 -7.8592 -7.7990 -7.7988 -7.5486 -7.5486 -7.4674 -7.4666 -3.5265 -3.5057 -3.5030 -3.5001 -2.8914 -2.8647 -2.8505 -2.8360 -2.8243 -2.8139 -0.6830 -0.6764 -0.5805 -0.5747 -0.0621 -0.0464 1.0945 1.1085 2.2733 2.3168 2.6669 2.7036 2.7898 2.8281 3.1360 3.1990 3.5143 3.6021 3.6836 3.7404 3.9063 3.9180 4.0425 4.0505 7.5524 7.5562 8.2767 8.2840 8.3239 8.3375 9.4716 9.4731 k = 0.2333 0.1774 0.8261 ( 4742 PWs) bands (ev): -7.8593 -7.8592 -7.7990 -7.7987 -7.5487 -7.5486 -7.4674 -7.4667 -3.5266 -3.5050 -3.5036 -3.5001 -2.8917 -2.8643 -2.8507 -2.8353 -2.8252 -2.8141 -0.6755 -0.6683 -0.5787 -0.5727 -0.0756 -0.0595 1.0864 1.1005 2.2996 2.3486 2.6922 2.7008 2.7634 2.8325 3.1278 3.1978 3.5103 3.6144 3.6606 3.7329 3.9047 3.9176 4.0361 4.0450 7.5733 7.5776 8.2742 8.2921 8.3047 8.3288 9.4714 9.4731 k = 0.2500 0.1901 0.8261 ( 4752 PWs) bands (ev): -7.8592 -7.8592 -7.7990 -7.7987 -7.5487 -7.5487 -7.4674 -7.4667 -3.5266 -3.5043 -3.5042 -3.5001 -2.8917 -2.8642 -2.8508 -2.8350 -2.8255 -2.8141 -0.6730 -0.6655 -0.5782 -0.5719 -0.0802 -0.0640 1.0837 1.0978 2.3090 2.3602 2.6972 2.7041 2.7507 2.8361 3.1247 3.1973 3.5089 3.6232 3.6480 3.7304 3.9042 3.9176 4.0339 4.0431 7.5806 7.5850 8.2716 8.2952 8.2977 8.3274 9.4714 9.4730 Writing output data file Al2CdSe4.save init_run : 3.36s CPU 10.59s WALL ( 1 calls) electrons : 944.64s CPU 953.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.57s CPU 2.01s WALL ( 1 calls) Called by electrons: c_bands : 944.61s CPU 953.19s WALL ( 1 calls) v_of_rho : 0.13s CPU 1.05s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.11s CPU 0.62s WALL ( 1 calls) newd : 0.85s CPU 1.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 275 calls) cegterg : 893.92s CPU 899.84s WALL ( 813 calls) Called by sum_band: Called by *egterg: h_psi : 534.73s CPU 544.72s WALL ( 14631 calls) s_psi : 25.72s CPU 26.44s WALL ( 14631 calls) g_psi : 0.61s CPU 0.73s WALL ( 13543 calls) cdiaghg : 258.00s CPU 255.09s WALL ( 13818 calls) cegterg:over : 53.97s CPU 50.49s WALL ( 13543 calls) cegterg:upda : 11.27s CPU 15.35s WALL ( 13543 calls) cegterg:last : 9.47s CPU 10.23s WALL ( 1997 calls) Called by h_psi: h_psi:vloc : 475.21s CPU 483.66s WALL ( 14631 calls) h_psi:vnl : 59.17s CPU 60.24s WALL ( 14631 calls) add_vuspsi : 18.42s CPU 22.60s WALL ( 14631 calls) General routines calbec : 40.68s CPU 37.52s WALL ( 14631 calls) fft : 0.39s CPU 1.34s WALL ( 19 calls) ffts : 0.02s CPU 0.27s WALL ( 4 calls) fftw : 380.04s CPU 382.30s WALL ( 1165260 calls) interpolate : 0.10s CPU 0.36s WALL ( 4 calls) davcio : 0.05s CPU 1.89s WALL ( 550 calls) Parallel routines fft_scatter : 228.36s CPU 224.81s WALL ( 1165283 calls) PWSCF : 16m35.65s CPU 17m52.47s WALL This run was terminated on: 2:23:45 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=