Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:29:18 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./NaCoO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 38 11 693 679 109 Max 39 39 12 697 688 112 Sum 1395 1391 403 25029 24583 3943 bravais-lattice index = 14 lattice parameter (alat) = 10.3254 a.u. unit-cell volume = 253.9139 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.325354 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.860150 celldm(5)= 0.860150 celldm(6)= 0.860150 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.860150 0.510042 0.000000 ) a(3) = ( 0.860150 0.235848 0.452237 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.686430 -1.022492 ) b(2) = ( 0.000000 1.960624 -1.022492 ) b(3) = ( 0.000000 0.000000 2.211230 ) PseudoPot. # 1 for Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Co 17.00 58.93320 Co( 1.00) O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 415 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024096 k( 2) = ( 0.0078125 -0.0131752 -0.0079882), wk = 0.0024096 k( 3) = ( 0.0156250 -0.0263505 -0.0159764), wk = 0.0024096 k( 4) = ( 0.0234375 -0.0395257 -0.0239647), wk = 0.0024096 k( 5) = ( 0.0312500 -0.0527010 -0.0319529), wk = 0.0024096 k( 6) = ( 0.0390625 -0.0658762 -0.0399411), wk = 0.0024096 k( 7) = ( 0.0468750 -0.0790514 -0.0479293), wk = 0.0024096 k( 8) = ( 0.0546875 -0.0922267 -0.0559176), wk = 0.0024096 k( 9) = ( 0.0625000 -0.1054019 -0.0639058), wk = 0.0024096 k( 10) = ( 0.0703125 -0.1185771 -0.0718940), wk = 0.0024096 k( 11) = ( 0.0781250 -0.1317524 -0.0798822), wk = 0.0024096 k( 12) = ( 0.0859375 -0.1449276 -0.0878704), wk = 0.0024096 k( 13) = ( 0.0937500 -0.1581029 -0.0958587), wk = 0.0024096 k( 14) = ( 0.1015625 -0.1712781 -0.1038469), wk = 0.0024096 k( 15) = ( 0.1093750 -0.1844533 -0.1118351), wk = 0.0024096 k( 16) = ( 0.1171875 -0.1976286 -0.1198233), wk = 0.0024096 k( 17) = ( 0.1250000 -0.2108038 -0.1278115), wk = 0.0024096 k( 18) = ( 0.1328125 -0.2239790 -0.1357998), wk = 0.0024096 k( 19) = ( 0.1406250 -0.2371543 -0.1437880), wk = 0.0024096 k( 20) = ( 0.1484375 -0.2503295 -0.1517762), wk = 0.0024096 k( 21) = ( 0.1562500 -0.2635048 -0.1597644), wk = 0.0024096 k( 22) = ( 0.1640625 -0.2766800 -0.1677527), wk = 0.0024096 k( 23) = ( 0.1718750 -0.2898552 -0.1757409), wk = 0.0024096 k( 24) = ( 0.1796875 -0.3030305 -0.1837291), wk = 0.0024096 k( 25) = ( 0.1875000 -0.3162057 -0.1917173), wk = 0.0024096 k( 26) = ( 0.1953125 -0.3293810 -0.1997055), wk = 0.0024096 k( 27) = ( 0.2031250 -0.3425562 -0.2076938), wk = 0.0024096 k( 28) = ( 0.2109375 -0.3557314 -0.2156820), wk = 0.0024096 k( 29) = ( 0.2187500 -0.3689067 -0.2236702), wk = 0.0024096 k( 30) = ( 0.2265625 -0.3820819 -0.2316584), wk = 0.0024096 k( 31) = ( 0.2343750 -0.3952571 -0.2396467), wk = 0.0024096 k( 32) = ( 0.2421875 -0.4084324 -0.2476349), wk = 0.0024096 k( 33) = ( 0.2500000 -0.4216076 -0.2556231), wk = 0.0024096 k( 34) = ( 0.2578125 -0.4347829 -0.2636113), wk = 0.0024096 k( 35) = ( 0.2656250 -0.4479581 -0.2715995), wk = 0.0024096 k( 36) = ( 0.2734375 -0.4611333 -0.2795878), wk = 0.0024096 k( 37) = ( 0.2812500 -0.4743086 -0.2875760), wk = 0.0024096 k( 38) = ( 0.2890625 -0.4874838 -0.2955642), wk = 0.0024096 k( 39) = ( 0.2968750 -0.5006590 -0.3035524), wk = 0.0024096 k( 40) = ( 0.3046875 -0.5138343 -0.3115406), wk = 0.0024096 k( 41) = ( 0.3125000 -0.5270095 -0.3195289), wk = 0.0024096 k( 42) = ( 0.3203125 -0.5401848 -0.3275171), wk = 0.0024096 k( 43) = ( 0.3281250 -0.5533600 -0.3355053), wk = 0.0024096 k( 44) = ( 0.3359375 -0.5665352 -0.3434935), wk = 0.0024096 k( 45) = ( 0.3437500 -0.5797105 -0.3514818), wk = 0.0024096 k( 46) = ( 0.3515625 -0.5928857 -0.3594700), wk = 0.0024096 k( 47) = ( 0.3593750 -0.6060609 -0.3674582), wk = 0.0024096 k( 48) = ( 0.3671875 -0.6192362 -0.3754464), wk = 0.0024096 k( 49) = ( 0.3750000 -0.6324114 -0.3834346), wk = 0.0024096 k( 50) = ( 0.3828125 -0.6455867 -0.3914229), wk = 0.0024096 k( 51) = ( 0.3906250 -0.6587619 -0.3994111), wk = 0.0024096 k( 52) = ( 0.3984375 -0.6719371 -0.4073993), wk = 0.0024096 k( 53) = ( 0.4062500 -0.6851124 -0.4153875), wk = 0.0024096 k( 54) = ( 0.4140625 -0.6982876 -0.4233758), wk = 0.0024096 k( 55) = ( 0.4218750 -0.7114629 -0.4313640), wk = 0.0024096 k( 56) = ( 0.4296875 -0.7246381 -0.4393522), wk = 0.0024096 k( 57) = ( 0.4375000 -0.7378133 -0.4473404), wk = 0.0024096 k( 58) = ( 0.4453125 -0.7509886 -0.4553286), wk = 0.0024096 k( 59) = ( 0.4531250 -0.7641638 -0.4633169), wk = 0.0024096 k( 60) = ( 0.4609375 -0.7773390 -0.4713051), wk = 0.0024096 k( 61) = ( 0.4687500 -0.7905143 -0.4792933), wk = 0.0024096 k( 62) = ( 0.4765625 -0.8036895 -0.4872815), wk = 0.0024096 k( 63) = ( 0.4843750 -0.8168648 -0.4952697), wk = 0.0024096 k( 64) = ( 0.4921875 -0.8300400 -0.5032580), wk = 0.0024096 k( 65) = ( 0.5000000 -0.8432152 -0.5112462), wk = 0.0024096 k( 66) = ( 0.5000000 -0.8432152 -0.5112462), wk = 0.0024096 k( 67) = ( 0.5000000 -0.8342060 -0.5261054), wk = 0.0024096 k( 68) = ( 0.5000000 -0.8251968 -0.5409646), wk = 0.0024096 k( 69) = ( 0.5000000 -0.8161875 -0.5558239), wk = 0.0024096 k( 70) = ( 0.5000000 -0.8071783 -0.5706831), wk = 0.0024096 k( 71) = ( 0.5000000 -0.7981691 -0.5855423), wk = 0.0024096 k( 72) = ( 0.5000000 -0.7891599 -0.6004015), wk = 0.0024096 k( 73) = ( 0.5000000 -0.7801506 -0.6152608), wk = 0.0024096 k( 74) = ( 0.5000000 -0.7711414 -0.6301200), wk = 0.0024096 k( 75) = ( 0.5000000 -0.7621322 -0.6449792), wk = 0.0024096 k( 76) = ( 0.5000000 -0.7531229 -0.6598384), wk = 0.0024096 k( 77) = ( 0.5000000 -0.7441137 -0.6746976), wk = 0.0024096 k( 78) = ( 0.5000000 -0.7351045 -0.6895569), wk = 0.0024096 k( 79) = ( 0.5000000 -0.7260952 -0.7044161), wk = 0.0024096 k( 80) = ( 0.5000000 -0.7170860 -0.7192753), wk = 0.0024096 k( 81) = ( 0.5000000 -0.7080768 -0.7341345), wk = 0.0024096 k( 82) = ( 0.5000000 -0.6990675 -0.7489937), wk = 0.0024096 k( 83) = ( 0.5000000 -0.6900583 -0.7638529), wk = 0.0024096 k( 84) = ( 0.5000000 -0.6810491 -0.7787122), wk = 0.0024096 k( 85) = ( 0.5000000 -0.6720399 -0.7935714), wk = 0.0024096 k( 86) = ( 0.5000000 -0.6630306 -0.8084306), wk = 0.0024096 k( 87) = ( 0.5000000 -0.6540214 -0.8232898), wk = 0.0024096 k( 88) = ( 0.5000000 -0.6450122 -0.8381490), wk = 0.0024096 k( 89) = ( 0.5000000 -0.6360029 -0.8530083), wk = 0.0024096 k( 90) = ( 0.5000000 -0.6269937 -0.8678675), wk = 0.0024096 k( 91) = ( 0.5000000 -0.6179845 -0.8827267), wk = 0.0024096 k( 92) = ( 0.5000000 -0.6089753 -0.8975859), wk = 0.0024096 k( 93) = ( 0.5000000 -0.5999660 -0.9124451), wk = 0.0024096 k( 94) = ( 0.5000000 -0.5909568 -0.9273044), wk = 0.0024096 k( 95) = ( 0.5000000 -0.5819476 -0.9421636), wk = 0.0024096 k( 96) = ( 0.5000000 -0.5729383 -0.9570228), wk = 0.0024096 k( 97) = ( 0.5000000 -0.5639291 -0.9718820), wk = 0.0024096 k( 98) = ( 0.5000000 -0.5549199 -0.9867413), wk = 0.0024096 k( 99) = ( 0.5000000 -0.5459106 -1.0016005), wk = 0.0024096 k( 100) = ( 0.5000000 -0.5369014 -1.0164597), wk = 0.0024096 k( 101) = ( 0.5000000 -0.5278922 -1.0313189), wk = 0.0024096 k( 102) = ( 0.5000000 -0.5188830 -1.0461781), wk = 0.0024096 k( 103) = ( 0.5000000 -0.5098737 -1.0610374), wk = 0.0024096 k( 104) = ( 0.5000000 -0.5008645 -1.0758966), wk = 0.0024096 k( 105) = ( 0.5000000 -0.4918553 -1.0907558), wk = 0.0024096 k( 106) = ( 0.5000000 -0.4828460 -1.1056150), wk = 0.0024096 k( 107) = ( 0.8161967 -0.3961468 -0.9393698), wk = 0.0024096 k( 108) = ( 0.8116141 -0.3884187 -0.9245510), wk = 0.0024096 k( 109) = ( 0.8070316 -0.3806905 -0.9097323), wk = 0.0024096 k( 110) = ( 0.8024490 -0.3729623 -0.8949135), wk = 0.0024096 k( 111) = ( 0.7978665 -0.3652341 -0.8800948), wk = 0.0024096 k( 112) = ( 0.7932839 -0.3575060 -0.8652761), wk = 0.0024096 k( 113) = ( 0.7887013 -0.3497778 -0.8504574), wk = 0.0024096 k( 114) = ( 0.7841188 -0.3420496 -0.8356386), wk = 0.0024096 k( 115) = ( 0.7795362 -0.3343215 -0.8208199), wk = 0.0024096 k( 116) = ( 0.7749537 -0.3265933 -0.8060012), wk = 0.0024096 k( 117) = ( 0.7703711 -0.3188651 -0.7911825), wk = 0.0024096 k( 118) = ( 0.7657885 -0.3111370 -0.7763637), wk = 0.0024096 k( 119) = ( 0.7612060 -0.3034088 -0.7615450), wk = 0.0024096 k( 120) = ( 0.7566234 -0.2956806 -0.7467262), wk = 0.0024096 k( 121) = ( 0.7520408 -0.2879524 -0.7319075), wk = 0.0024096 k( 122) = ( 0.7474583 -0.2802243 -0.7170888), wk = 0.0024096 k( 123) = ( 0.7428757 -0.2724961 -0.7022701), wk = 0.0024096 k( 124) = ( 0.7382932 -0.2647679 -0.6874513), wk = 0.0024096 k( 125) = ( 0.7337106 -0.2570398 -0.6726326), wk = 0.0024096 k( 126) = ( 0.7291281 -0.2493116 -0.6578139), wk = 0.0024096 k( 127) = ( 0.7245455 -0.2415834 -0.6429951), wk = 0.0024096 k( 128) = ( 0.7199629 -0.2338553 -0.6281764), wk = 0.0024096 k( 129) = ( 0.7153804 -0.2261271 -0.6133577), wk = 0.0024096 k( 130) = ( 0.7107978 -0.2183989 -0.5985389), wk = 0.0024096 k( 131) = ( 0.7062152 -0.2106707 -0.5837202), wk = 0.0024096 k( 132) = ( 0.7016327 -0.2029426 -0.5689015), wk = 0.0024096 k( 133) = ( 0.6970501 -0.1952144 -0.5540828), wk = 0.0024096 k( 134) = ( 0.6924676 -0.1874862 -0.5392640), wk = 0.0024096 k( 135) = ( 0.6878850 -0.1797581 -0.5244453), wk = 0.0024096 k( 136) = ( 0.6833024 -0.1720299 -0.5096266), wk = 0.0024096 k( 137) = ( 0.6787199 -0.1643017 -0.4948078), wk = 0.0024096 k( 138) = ( 0.6741373 -0.1565736 -0.4799891), wk = 0.0024096 k( 139) = ( 0.6695548 -0.1488454 -0.4651704), wk = 0.0024096 k( 140) = ( 0.6649722 -0.1411172 -0.4503516), wk = 0.0024096 k( 141) = ( 0.6603896 -0.1333890 -0.4355329), wk = 0.0024096 k( 142) = ( 0.6558071 -0.1256609 -0.4207142), wk = 0.0024096 k( 143) = ( 0.6512245 -0.1179327 -0.4058954), wk = 0.0024096 k( 144) = ( 0.6466420 -0.1102045 -0.3910767), wk = 0.0024096 k( 145) = ( 0.6420594 -0.1024764 -0.3762580), wk = 0.0024096 k( 146) = ( 0.6374768 -0.0947482 -0.3614393), wk = 0.0024096 k( 147) = ( 0.6328943 -0.0870200 -0.3466205), wk = 0.0024096 k( 148) = ( 0.6283117 -0.0792919 -0.3318018), wk = 0.0024096 k( 149) = ( 0.6237291 -0.0715637 -0.3169831), wk = 0.0024096 k( 150) = ( 0.6191466 -0.0638355 -0.3021643), wk = 0.0024096 k( 151) = ( 0.6145640 -0.0561073 -0.2873456), wk = 0.0024096 k( 152) = ( 0.6099815 -0.0483792 -0.2725269), wk = 0.0024096 k( 153) = ( 0.6053989 -0.0406510 -0.2577081), wk = 0.0024096 k( 154) = ( 0.6008163 -0.0329228 -0.2428894), wk = 0.0024096 k( 155) = ( 0.5962338 -0.0251947 -0.2280707), wk = 0.0024096 k( 156) = ( 0.5916512 -0.0174665 -0.2132520), wk = 0.0024096 k( 157) = ( 0.5870687 -0.0097383 -0.1984332), wk = 0.0024096 k( 158) = ( 0.5824861 -0.0020101 -0.1836145), wk = 0.0024096 k( 159) = ( 0.5779035 0.0057180 -0.1687958), wk = 0.0024096 k( 160) = ( 0.5733210 0.0134462 -0.1539771), wk = 0.0024096 k( 161) = ( 0.5687384 0.0211744 -0.1391583), wk = 0.0024096 k( 162) = ( 0.5641559 0.0289025 -0.1243396), wk = 0.0024096 k( 163) = ( 0.5595733 0.0366307 -0.1095208), wk = 0.0024096 k( 164) = ( 0.5549907 0.0443589 -0.0947021), wk = 0.0024096 k( 165) = ( 0.5504082 0.0520871 -0.0798834), wk = 0.0024096 k( 166) = ( 0.5458256 0.0598152 -0.0650647), wk = 0.0024096 k( 167) = ( 0.5412430 0.0675434 -0.0502459), wk = 0.0024096 k( 168) = ( 0.5366605 0.0752716 -0.0354272), wk = 0.0024096 k( 169) = ( 0.5320779 0.0829997 -0.0206085), wk = 0.0024096 k( 170) = ( 0.5274954 0.0907279 -0.0057897), wk = 0.0024096 k( 171) = ( 0.5229128 0.0984561 0.0090290), wk = 0.0024096 k( 172) = ( 0.5183302 0.1061843 0.0238477), wk = 0.0024096 k( 173) = ( 0.5137477 0.1139124 0.0386665), wk = 0.0024096 k( 174) = ( 0.5091651 0.1216406 0.0534852), wk = 0.0024096 k( 175) = ( 0.5045826 0.1293688 0.0683039), wk = 0.0024096 k( 176) = ( 0.5000000 0.1370969 0.0831226), wk = 0.0024096 k( 177) = ( 0.5000000 0.1370969 0.0831226), wk = 0.0024096 k( 178) = ( 0.4838710 0.1326744 0.0804413), wk = 0.0024096 k( 179) = ( 0.4677419 0.1282520 0.0777599), wk = 0.0024096 k( 180) = ( 0.4516129 0.1238295 0.0750785), wk = 0.0024096 k( 181) = ( 0.4354839 0.1194070 0.0723971), wk = 0.0024096 k( 182) = ( 0.4193548 0.1149845 0.0697158), wk = 0.0024096 k( 183) = ( 0.4032258 0.1105620 0.0670344), wk = 0.0024096 k( 184) = ( 0.3870968 0.1061396 0.0643530), wk = 0.0024096 k( 185) = ( 0.3709677 0.1017171 0.0616716), wk = 0.0024096 k( 186) = ( 0.3548387 0.0972946 0.0589903), wk = 0.0024096 k( 187) = ( 0.3387097 0.0928721 0.0563089), wk = 0.0024096 k( 188) = ( 0.3225807 0.0884496 0.0536275), wk = 0.0024096 k( 189) = ( 0.3064516 0.0840271 0.0509461), wk = 0.0024096 k( 190) = ( 0.2903226 0.0796047 0.0482648), wk = 0.0024096 k( 191) = ( 0.2741936 0.0751822 0.0455834), wk = 0.0024096 k( 192) = ( 0.2580645 0.0707597 0.0429020), wk = 0.0024096 k( 193) = ( 0.2419355 0.0663372 0.0402206), wk = 0.0024096 k( 194) = ( 0.2258064 0.0619147 0.0375393), wk = 0.0024096 k( 195) = ( 0.2096774 0.0574923 0.0348579), wk = 0.0024096 k( 196) = ( 0.1935484 0.0530698 0.0321765), wk = 0.0024096 k( 197) = ( 0.1774194 0.0486473 0.0294951), wk = 0.0024096 k( 198) = ( 0.1612903 0.0442248 0.0268138), wk = 0.0024096 k( 199) = ( 0.1451613 0.0398023 0.0241324), wk = 0.0024096 k( 200) = ( 0.1290323 0.0353799 0.0214510), wk = 0.0024096 k( 201) = ( 0.1129032 0.0309574 0.0187696), wk = 0.0024096 k( 202) = ( 0.0967742 0.0265349 0.0160883), wk = 0.0024096 k( 203) = ( 0.0806452 0.0221124 0.0134069), wk = 0.0024096 k( 204) = ( 0.0645161 0.0176899 0.0107255), wk = 0.0024096 k( 205) = ( 0.0483871 0.0132674 0.0080441), wk = 0.0024096 k( 206) = ( 0.0322581 0.0088450 0.0053628), wk = 0.0024096 k( 207) = ( 0.0161290 0.0044225 0.0026814), wk = 0.0024096 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024096 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024096 k( 210) = ( 0.0045587 -0.0076879 -0.0147415), wk = 0.0024096 k( 211) = ( 0.0091174 -0.0153758 -0.0294831), wk = 0.0024096 k( 212) = ( 0.0136761 -0.0230637 -0.0442246), wk = 0.0024096 k( 213) = ( 0.0182348 -0.0307516 -0.0589661), wk = 0.0024096 k( 214) = ( 0.0227934 -0.0384396 -0.0737077), wk = 0.0024096 k( 215) = ( 0.0273521 -0.0461275 -0.0884492), wk = 0.0024096 k( 216) = ( 0.0319108 -0.0538154 -0.1031907), wk = 0.0024096 k( 217) = ( 0.0364695 -0.0615033 -0.1179323), wk = 0.0024096 k( 218) = ( 0.0410282 -0.0691912 -0.1326738), wk = 0.0024096 k( 219) = ( 0.0455869 -0.0768791 -0.1474153), wk = 0.0024096 k( 220) = ( 0.0501456 -0.0845670 -0.1621569), wk = 0.0024096 k( 221) = ( 0.0547043 -0.0922549 -0.1768984), wk = 0.0024096 k( 222) = ( 0.0592630 -0.0999428 -0.1916399), wk = 0.0024096 k( 223) = ( 0.0638216 -0.1076308 -0.2063815), wk = 0.0024096 k( 224) = ( 0.0683803 -0.1153187 -0.2211230), wk = 0.0024096 k( 225) = ( 0.0729390 -0.1230066 -0.2358645), wk = 0.0024096 k( 226) = ( 0.0774977 -0.1306945 -0.2506061), wk = 0.0024096 k( 227) = ( 0.0820564 -0.1383824 -0.2653476), wk = 0.0024096 k( 228) = ( 0.0866151 -0.1460703 -0.2800891), wk = 0.0024096 k( 229) = ( 0.0911738 -0.1537582 -0.2948307), wk = 0.0024096 k( 230) = ( 0.0957325 -0.1614461 -0.3095722), wk = 0.0024096 k( 231) = ( 0.1002911 -0.1691341 -0.3243137), wk = 0.0024096 k( 232) = ( 0.1048498 -0.1768220 -0.3390553), wk = 0.0024096 k( 233) = ( 0.1094085 -0.1845099 -0.3537968), wk = 0.0024096 k( 234) = ( 0.1139672 -0.1921978 -0.3685384), wk = 0.0024096 k( 235) = ( 0.1185259 -0.1998857 -0.3832799), wk = 0.0024096 k( 236) = ( 0.1230846 -0.2075736 -0.3980214), wk = 0.0024096 k( 237) = ( 0.1276433 -0.2152615 -0.4127629), wk = 0.0024096 k( 238) = ( 0.1322020 -0.2229494 -0.4275045), wk = 0.0024096 k( 239) = ( 0.1367607 -0.2306373 -0.4422460), wk = 0.0024096 k( 240) = ( 0.1413194 -0.2383253 -0.4569876), wk = 0.0024096 k( 241) = ( 0.1458780 -0.2460132 -0.4717291), wk = 0.0024096 k( 242) = ( 0.1504367 -0.2537011 -0.4864706), wk = 0.0024096 k( 243) = ( 0.1549954 -0.2613890 -0.5012121), wk = 0.0024096 k( 244) = ( 0.1595541 -0.2690769 -0.5159537), wk = 0.0024096 k( 245) = ( 0.1641128 -0.2767648 -0.5306952), wk = 0.0024096 k( 246) = ( 0.1686715 -0.2844527 -0.5454368), wk = 0.0024096 k( 247) = ( 0.1732302 -0.2921406 -0.5601783), wk = 0.0024096 k( 248) = ( 0.1777889 -0.2998286 -0.5749198), wk = 0.0024096 k( 249) = ( 0.1823475 -0.3075165 -0.5896614), wk = 0.0024096 k( 250) = ( 0.1869062 -0.3152044 -0.6044029), wk = 0.0024096 k( 251) = ( 0.1914649 -0.3228923 -0.6191444), wk = 0.0024096 k( 252) = ( 0.1960236 -0.3305802 -0.6338859), wk = 0.0024096 k( 253) = ( 0.2005823 -0.3382681 -0.6486275), wk = 0.0024096 k( 254) = ( 0.2051410 -0.3459560 -0.6633690), wk = 0.0024096 k( 255) = ( 0.2096997 -0.3536439 -0.6781106), wk = 0.0024096 k( 256) = ( 0.2142584 -0.3613318 -0.6928521), wk = 0.0024096 k( 257) = ( 0.2188171 -0.3690197 -0.7075936), wk = 0.0024096 k( 258) = ( 0.2233757 -0.3767077 -0.7223351), wk = 0.0024096 k( 259) = ( 0.2279344 -0.3843956 -0.7370767), wk = 0.0024096 k( 260) = ( 0.2324931 -0.3920835 -0.7518182), wk = 0.0024096 k( 261) = ( 0.2370518 -0.3997714 -0.7665598), wk = 0.0024096 k( 262) = ( 0.2416105 -0.4074593 -0.7813013), wk = 0.0024096 k( 263) = ( 0.2461692 -0.4151472 -0.7960428), wk = 0.0024096 k( 264) = ( 0.2507279 -0.4228351 -0.8107843), wk = 0.0024096 k( 265) = ( 0.2552866 -0.4305230 -0.8255259), wk = 0.0024096 k( 266) = ( 0.2598453 -0.4382109 -0.8402674), wk = 0.0024096 k( 267) = ( 0.2644039 -0.4458989 -0.8550090), wk = 0.0024096 k( 268) = ( 0.2689626 -0.4535868 -0.8697505), wk = 0.0024096 k( 269) = ( 0.2735213 -0.4612747 -0.8844920), wk = 0.0024096 k( 270) = ( 0.2780800 -0.4689626 -0.8992336), wk = 0.0024096 k( 271) = ( 0.2826387 -0.4766505 -0.9139751), wk = 0.0024096 k( 272) = ( 0.2871974 -0.4843384 -0.9287166), wk = 0.0024096 k( 273) = ( 0.2917561 -0.4920263 -0.9434582), wk = 0.0024096 k( 274) = ( 0.2963148 -0.4997142 -0.9581997), wk = 0.0024096 k( 275) = ( 0.3008734 -0.5074022 -0.9729412), wk = 0.0024096 k( 276) = ( 0.3054321 -0.5150901 -0.9876828), wk = 0.0024096 k( 277) = ( 0.3099908 -0.5227780 -1.0024243), wk = 0.0024096 k( 278) = ( 0.3145495 -0.5304659 -1.0171658), wk = 0.0024096 k( 279) = ( 0.3191082 -0.5381538 -1.0319074), wk = 0.0024096 k( 280) = ( 0.3236669 -0.5458417 -1.0466489), wk = 0.0024096 k( 281) = ( 0.3282256 -0.5535296 -1.0613904), wk = 0.0024096 k( 282) = ( 0.3327843 -0.5612175 -1.0761320), wk = 0.0024096 k( 283) = ( 0.3373430 -0.5689054 -1.0908735), wk = 0.0024096 k( 284) = ( 0.3419017 -0.5765934 -1.1056150), wk = 0.0024096 k( 285) = ( 0.6580984 -0.4394964 -1.0224924), wk = 0.0024096 k( 286) = ( 0.6535813 -0.4230223 -1.0224924), wk = 0.0024096 k( 287) = ( 0.6490642 -0.4065482 -1.0224924), wk = 0.0024096 k( 288) = ( 0.6445471 -0.3900742 -1.0224924), wk = 0.0024096 k( 289) = ( 0.6400300 -0.3736000 -1.0224924), wk = 0.0024096 k( 290) = ( 0.6355129 -0.3571259 -1.0224924), wk = 0.0024096 k( 291) = ( 0.6309958 -0.3406519 -1.0224924), wk = 0.0024096 k( 292) = ( 0.6264787 -0.3241777 -1.0224924), wk = 0.0024096 k( 293) = ( 0.6219616 -0.3077037 -1.0224924), wk = 0.0024096 k( 294) = ( 0.6174445 -0.2912296 -1.0224924), wk = 0.0024096 k( 295) = ( 0.6129274 -0.2747555 -1.0224924), wk = 0.0024096 k( 296) = ( 0.6084103 -0.2582814 -1.0224924), wk = 0.0024096 k( 297) = ( 0.6038932 -0.2418073 -1.0224924), wk = 0.0024096 k( 298) = ( 0.5993761 -0.2253332 -1.0224924), wk = 0.0024096 k( 299) = ( 0.5948590 -0.2088591 -1.0224924), wk = 0.0024096 k( 300) = ( 0.5903419 -0.1923850 -1.0224924), wk = 0.0024096 k( 301) = ( 0.5858248 -0.1759109 -1.0224924), wk = 0.0024096 k( 302) = ( 0.5813077 -0.1594368 -1.0224924), wk = 0.0024096 k( 303) = ( 0.5767906 -0.1429627 -1.0224924), wk = 0.0024096 k( 304) = ( 0.5722735 -0.1264886 -1.0224924), wk = 0.0024096 k( 305) = ( 0.5677564 -0.1100145 -1.0224924), wk = 0.0024096 k( 306) = ( 0.5632393 -0.0935404 -1.0224924), wk = 0.0024096 k( 307) = ( 0.5587222 -0.0770663 -1.0224924), wk = 0.0024096 k( 308) = ( 0.5542052 -0.0605922 -1.0224924), wk = 0.0024096 k( 309) = ( 0.5496880 -0.0441181 -1.0224924), wk = 0.0024096 k( 310) = ( 0.5451710 -0.0276440 -1.0224924), wk = 0.0024096 k( 311) = ( 0.5406539 -0.0111699 -1.0224924), wk = 0.0024096 k( 312) = ( 0.5361368 0.0053041 -1.0224924), wk = 0.0024096 k( 313) = ( 0.5316197 0.0217783 -1.0224924), wk = 0.0024096 k( 314) = ( 0.5271026 0.0382524 -1.0224924), wk = 0.0024096 k( 315) = ( 0.5225855 0.0547264 -1.0224924), wk = 0.0024096 k( 316) = ( 0.5180684 0.0712006 -1.0224924), wk = 0.0024096 k( 317) = ( 0.5135513 0.0876746 -1.0224924), wk = 0.0024096 k( 318) = ( 0.5090342 0.1041487 -1.0224924), wk = 0.0024096 k( 319) = ( 0.5045171 0.1206228 -1.0224924), wk = 0.0024096 k( 320) = ( 0.5000000 0.1370969 -1.0224924), wk = 0.0024096 k( 321) = ( 0.5000000 0.1370969 -1.0224924), wk = 0.0024096 k( 322) = ( 0.5143726 0.1410378 -1.0149358), wk = 0.0024096 k( 323) = ( 0.5287452 0.1449787 -1.0073792), wk = 0.0024096 k( 324) = ( 0.5431177 0.1489195 -0.9998226), wk = 0.0024096 k( 325) = ( 0.5574903 0.1528604 -0.9922660), wk = 0.0024096 k( 326) = ( 0.5718629 0.1568013 -0.9847094), wk = 0.0024096 k( 327) = ( 0.5862355 0.1607422 -0.9771528), wk = 0.0024096 k( 328) = ( 0.6006080 0.1646830 -0.9695962), wk = 0.0024096 k( 329) = ( 0.6149806 0.1686239 -0.9620396), wk = 0.0024096 k( 330) = ( 0.6293532 0.1725648 -0.9544830), wk = 0.0024096 k( 331) = ( 0.6437258 0.1765057 -0.9469264), wk = 0.0024096 k( 332) = ( 0.6580984 0.1804465 -0.9393697), wk = 0.0024096 k( 333) = ( 0.6580984 0.1804465 -0.9393697), wk = 0.0024096 k( 334) = ( 0.6554634 0.1797240 -0.9223282), wk = 0.0024096 k( 335) = ( 0.6528284 0.1790015 -0.9052867), wk = 0.0024096 k( 336) = ( 0.6501934 0.1782790 -0.8882451), wk = 0.0024096 k( 337) = ( 0.6475585 0.1775565 -0.8712036), wk = 0.0024096 k( 338) = ( 0.6449235 0.1768341 -0.8541620), wk = 0.0024096 k( 339) = ( 0.6422885 0.1761116 -0.8371205), wk = 0.0024096 k( 340) = ( 0.6396536 0.1753891 -0.8200790), wk = 0.0024096 k( 341) = ( 0.6370186 0.1746666 -0.8030374), wk = 0.0024096 k( 342) = ( 0.6343836 0.1739441 -0.7859959), wk = 0.0024096 k( 343) = ( 0.6317486 0.1732216 -0.7689543), wk = 0.0024096 k( 344) = ( 0.6291136 0.1724991 -0.7519128), wk = 0.0024096 k( 345) = ( 0.6264787 0.1717766 -0.7348712), wk = 0.0024096 k( 346) = ( 0.6238437 0.1710541 -0.7178297), wk = 0.0024096 k( 347) = ( 0.6212087 0.1703316 -0.7007882), wk = 0.0024096 k( 348) = ( 0.6185738 0.1696091 -0.6837466), wk = 0.0024096 k( 349) = ( 0.6159388 0.1688866 -0.6667051), wk = 0.0024096 k( 350) = ( 0.6133038 0.1681641 -0.6496636), wk = 0.0024096 k( 351) = ( 0.6106689 0.1674416 -0.6326220), wk = 0.0024096 k( 352) = ( 0.6080339 0.1667191 -0.6155805), wk = 0.0024096 k( 353) = ( 0.6053989 0.1659967 -0.5985389), wk = 0.0024096 k( 354) = ( 0.6027639 0.1652742 -0.5814974), wk = 0.0024096 k( 355) = ( 0.6001290 0.1645517 -0.5644559), wk = 0.0024096 k( 356) = ( 0.5974940 0.1638292 -0.5474143), wk = 0.0024096 k( 357) = ( 0.5948590 0.1631067 -0.5303728), wk = 0.0024096 k( 358) = ( 0.5922240 0.1623842 -0.5133313), wk = 0.0024096 k( 359) = ( 0.5895891 0.1616617 -0.4962897), wk = 0.0024096 k( 360) = ( 0.5869541 0.1609392 -0.4792482), wk = 0.0024096 k( 361) = ( 0.5843191 0.1602167 -0.4622066), wk = 0.0024096 k( 362) = ( 0.5816841 0.1594942 -0.4451651), wk = 0.0024096 k( 363) = ( 0.5790492 0.1587717 -0.4281235), wk = 0.0024096 k( 364) = ( 0.5764142 0.1580492 -0.4110820), wk = 0.0024096 k( 365) = ( 0.5737792 0.1573267 -0.3940405), wk = 0.0024096 k( 366) = ( 0.5711443 0.1566042 -0.3769989), wk = 0.0024096 k( 367) = ( 0.5685093 0.1558818 -0.3599574), wk = 0.0024096 k( 368) = ( 0.5658743 0.1551593 -0.3429158), wk = 0.0024096 k( 369) = ( 0.5632393 0.1544368 -0.3258743), wk = 0.0024096 k( 370) = ( 0.5606044 0.1537143 -0.3088328), wk = 0.0024096 k( 371) = ( 0.5579694 0.1529918 -0.2917912), wk = 0.0024096 k( 372) = ( 0.5553344 0.1522693 -0.2747497), wk = 0.0024096 k( 373) = ( 0.5526994 0.1515468 -0.2577081), wk = 0.0024096 k( 374) = ( 0.5500645 0.1508243 -0.2406666), wk = 0.0024096 k( 375) = ( 0.5474295 0.1501018 -0.2236251), wk = 0.0024096 k( 376) = ( 0.5447945 0.1493793 -0.2065835), wk = 0.0024096 k( 377) = ( 0.5421596 0.1486568 -0.1895420), wk = 0.0024096 k( 378) = ( 0.5395246 0.1479343 -0.1725005), wk = 0.0024096 k( 379) = ( 0.5368896 0.1472118 -0.1554589), wk = 0.0024096 k( 380) = ( 0.5342546 0.1464893 -0.1384174), wk = 0.0024096 k( 381) = ( 0.5316197 0.1457668 -0.1213758), wk = 0.0024096 k( 382) = ( 0.5289847 0.1450444 -0.1043343), wk = 0.0024096 k( 383) = ( 0.5263497 0.1443219 -0.0872928), wk = 0.0024096 k( 384) = ( 0.5237148 0.1435994 -0.0702512), wk = 0.0024096 k( 385) = ( 0.5210798 0.1428769 -0.0532097), wk = 0.0024096 k( 386) = ( 0.5184448 0.1421544 -0.0361681), wk = 0.0024096 k( 387) = ( 0.5158098 0.1414319 -0.0191266), wk = 0.0024096 k( 388) = ( 0.5131749 0.1407094 -0.0020851), wk = 0.0024096 k( 389) = ( 0.5105399 0.1399869 0.0149565), wk = 0.0024096 k( 390) = ( 0.5079049 0.1392644 0.0319980), wk = 0.0024096 k( 391) = ( 0.5052699 0.1385419 0.0490396), wk = 0.0024096 k( 392) = ( 0.5026350 0.1378194 0.0660811), wk = 0.0024096 k( 393) = ( 0.5000000 0.1370969 0.0831226), wk = 0.0024096 k( 394) = ( 0.5000000 -0.8432152 -0.5112462), wk = 0.0024096 k( 395) = ( 0.5150570 -0.8366868 -0.5072880), wk = 0.0024096 k( 396) = ( 0.5301140 -0.8301584 -0.5033298), wk = 0.0024096 k( 397) = ( 0.5451710 -0.8236300 -0.4993715), wk = 0.0024096 k( 398) = ( 0.5602279 -0.8171015 -0.4954133), wk = 0.0024096 k( 399) = ( 0.5752849 -0.8105731 -0.4914551), wk = 0.0024096 k( 400) = ( 0.5903419 -0.8040447 -0.4874969), wk = 0.0024096 k( 401) = ( 0.6053989 -0.7975162 -0.4835386), wk = 0.0024096 k( 402) = ( 0.6204559 -0.7909878 -0.4795804), wk = 0.0024096 k( 403) = ( 0.6355129 -0.7844594 -0.4756222), wk = 0.0024096 k( 404) = ( 0.6505699 -0.7779310 -0.4716640), wk = 0.0024096 k( 405) = ( 0.6656268 -0.7714026 -0.4677058), wk = 0.0024096 k( 406) = ( 0.6806838 -0.7648741 -0.4637475), wk = 0.0024096 k( 407) = ( 0.6957408 -0.7583457 -0.4597893), wk = 0.0024096 k( 408) = ( 0.7107978 -0.7518173 -0.4558311), wk = 0.0024096 k( 409) = ( 0.7258548 -0.7452889 -0.4518729), wk = 0.0024096 k( 410) = ( 0.7409118 -0.7387604 -0.4479147), wk = 0.0024096 k( 411) = ( 0.7559688 -0.7322320 -0.4439564), wk = 0.0024096 k( 412) = ( 0.7710257 -0.7257036 -0.4399982), wk = 0.0024096 k( 413) = ( 0.7860827 -0.7191751 -0.4360400), wk = 0.0024096 k( 414) = ( 0.8011397 -0.7126467 -0.4320818), wk = 0.0024096 k( 415) = ( 0.8161967 -0.7061183 -0.4281235), wk = 0.0024096 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024096 k( 2) = ( 0.0078125 0.0000000 -0.0000000), wk = 0.0024096 k( 3) = ( 0.0156250 0.0000000 -0.0000000), wk = 0.0024096 k( 4) = ( 0.0234375 0.0000000 -0.0000000), wk = 0.0024096 k( 5) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0024096 k( 6) = ( 0.0390625 0.0000000 -0.0000000), wk = 0.0024096 k( 7) = ( 0.0468750 0.0000000 -0.0000000), wk = 0.0024096 k( 8) = ( 0.0546875 -0.0000000 -0.0000000), wk = 0.0024096 k( 9) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0024096 k( 10) = ( 0.0703125 0.0000000 -0.0000000), wk = 0.0024096 k( 11) = ( 0.0781250 0.0000000 -0.0000000), wk = 0.0024096 k( 12) = ( 0.0859375 -0.0000000 -0.0000000), wk = 0.0024096 k( 13) = ( 0.0937500 0.0000000 -0.0000000), wk = 0.0024096 k( 14) = ( 0.1015625 -0.0000000 -0.0000000), wk = 0.0024096 k( 15) = ( 0.1093750 -0.0000000 -0.0000000), wk = 0.0024096 k( 16) = ( 0.1171875 -0.0000000 -0.0000000), wk = 0.0024096 k( 17) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0024096 k( 18) = ( 0.1328125 -0.0000000 -0.0000000), wk = 0.0024096 k( 19) = ( 0.1406250 0.0000000 -0.0000000), wk = 0.0024096 k( 20) = ( 0.1484375 0.0000000 0.0000000), wk = 0.0024096 k( 21) = ( 0.1562500 0.0000000 -0.0000000), wk = 0.0024096 k( 22) = ( 0.1640625 -0.0000000 -0.0000000), wk = 0.0024096 k( 23) = ( 0.1718750 -0.0000000 -0.0000000), wk = 0.0024096 k( 24) = ( 0.1796875 -0.0000000 -0.0000000), wk = 0.0024096 k( 25) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0024096 k( 26) = ( 0.1953125 -0.0000000 -0.0000000), wk = 0.0024096 k( 27) = ( 0.2031250 -0.0000000 -0.0000000), wk = 0.0024096 k( 28) = ( 0.2109375 0.0000000 -0.0000000), wk = 0.0024096 k( 29) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0024096 k( 30) = ( 0.2265625 -0.0000000 -0.0000000), wk = 0.0024096 k( 31) = ( 0.2343750 -0.0000000 -0.0000000), wk = 0.0024096 k( 32) = ( 0.2421875 -0.0000000 -0.0000000), wk = 0.0024096 k( 33) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0024096 k( 34) = ( 0.2578125 -0.0000000 -0.0000000), wk = 0.0024096 k( 35) = ( 0.2656250 -0.0000000 -0.0000000), wk = 0.0024096 k( 36) = ( 0.2734375 0.0000000 -0.0000000), wk = 0.0024096 k( 37) = ( 0.2812500 0.0000000 -0.0000000), wk = 0.0024096 k( 38) = ( 0.2890625 -0.0000000 -0.0000000), wk = 0.0024096 k( 39) = ( 0.2968750 0.0000000 0.0000000), wk = 0.0024096 k( 40) = ( 0.3046875 0.0000000 -0.0000000), wk = 0.0024096 k( 41) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0024096 k( 42) = ( 0.3203125 -0.0000000 -0.0000000), wk = 0.0024096 k( 43) = ( 0.3281250 -0.0000000 -0.0000000), wk = 0.0024096 k( 44) = ( 0.3359375 -0.0000000 -0.0000000), wk = 0.0024096 k( 45) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0024096 k( 46) = ( 0.3515625 -0.0000000 -0.0000000), wk = 0.0024096 k( 47) = ( 0.3593750 -0.0000000 -0.0000000), wk = 0.0024096 k( 48) = ( 0.3671875 -0.0000000 -0.0000000), wk = 0.0024096 k( 49) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0024096 k( 50) = ( 0.3828125 -0.0000000 -0.0000000), wk = 0.0024096 k( 51) = ( 0.3906250 -0.0000000 -0.0000000), wk = 0.0024096 k( 52) = ( 0.3984375 0.0000000 -0.0000000), wk = 0.0024096 k( 53) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0024096 k( 54) = ( 0.4140625 -0.0000000 -0.0000000), wk = 0.0024096 k( 55) = ( 0.4218750 0.0000000 -0.0000000), wk = 0.0024096 k( 56) = ( 0.4296875 -0.0000000 -0.0000000), wk = 0.0024096 k( 57) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0024096 k( 58) = ( 0.4453125 -0.0000000 -0.0000000), wk = 0.0024096 k( 59) = ( 0.4531250 -0.0000000 -0.0000000), wk = 0.0024096 k( 60) = ( 0.4609375 -0.0000000 -0.0000000), wk = 0.0024096 k( 61) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0024096 k( 62) = ( 0.4765625 -0.0000000 -0.0000000), wk = 0.0024096 k( 63) = ( 0.4843750 -0.0000000 -0.0000000), wk = 0.0024096 k( 64) = ( 0.4921875 -0.0000000 -0.0000000), wk = 0.0024096 k( 65) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024096 k( 66) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024096 k( 67) = ( 0.5000000 0.0045951 -0.0045951), wk = 0.0024096 k( 68) = ( 0.5000000 0.0091902 -0.0091902), wk = 0.0024096 k( 69) = ( 0.5000000 0.0137852 -0.0137853), wk = 0.0024096 k( 70) = ( 0.5000000 0.0183803 -0.0183803), wk = 0.0024096 k( 71) = ( 0.5000000 0.0229754 -0.0229754), wk = 0.0024096 k( 72) = ( 0.5000000 0.0275705 -0.0275705), wk = 0.0024096 k( 73) = ( 0.5000000 0.0321656 -0.0321656), wk = 0.0024096 k( 74) = ( 0.5000000 0.0367607 -0.0367607), wk = 0.0024096 k( 75) = ( 0.5000000 0.0413557 -0.0413557), wk = 0.0024096 k( 76) = ( 0.5000000 0.0459508 -0.0459508), wk = 0.0024096 k( 77) = ( 0.5000000 0.0505459 -0.0505459), wk = 0.0024096 k( 78) = ( 0.5000000 0.0551410 -0.0551410), wk = 0.0024096 k( 79) = ( 0.5000000 0.0597361 -0.0597361), wk = 0.0024096 k( 80) = ( 0.5000000 0.0643311 -0.0643312), wk = 0.0024096 k( 81) = ( 0.5000000 0.0689262 -0.0689262), wk = 0.0024096 k( 82) = ( 0.5000000 0.0735213 -0.0735213), wk = 0.0024096 k( 83) = ( 0.5000000 0.0781164 -0.0781164), wk = 0.0024096 k( 84) = ( 0.5000000 0.0827115 -0.0827115), wk = 0.0024096 k( 85) = ( 0.5000000 0.0873066 -0.0873066), wk = 0.0024096 k( 86) = ( 0.5000000 0.0919017 -0.0919017), wk = 0.0024096 k( 87) = ( 0.5000000 0.0964967 -0.0964967), wk = 0.0024096 k( 88) = ( 0.5000000 0.1010918 -0.1010918), wk = 0.0024096 k( 89) = ( 0.5000000 0.1056869 -0.1056869), wk = 0.0024096 k( 90) = ( 0.5000000 0.1102820 -0.1102820), wk = 0.0024096 k( 91) = ( 0.5000000 0.1148771 -0.1148771), wk = 0.0024096 k( 92) = ( 0.5000000 0.1194721 -0.1194721), wk = 0.0024096 k( 93) = ( 0.5000000 0.1240672 -0.1240672), wk = 0.0024096 k( 94) = ( 0.5000000 0.1286623 -0.1286623), wk = 0.0024096 k( 95) = ( 0.5000000 0.1332574 -0.1332574), wk = 0.0024096 k( 96) = ( 0.5000000 0.1378525 -0.1378525), wk = 0.0024096 k( 97) = ( 0.5000000 0.1424476 -0.1424476), wk = 0.0024096 k( 98) = ( 0.5000000 0.1470426 -0.1470426), wk = 0.0024096 k( 99) = ( 0.5000000 0.1516377 -0.1516377), wk = 0.0024096 k( 100) = ( 0.5000000 0.1562328 -0.1562328), wk = 0.0024096 k( 101) = ( 0.5000000 0.1608279 -0.1608279), wk = 0.0024096 k( 102) = ( 0.5000000 0.1654230 -0.1654230), wk = 0.0024096 k( 103) = ( 0.5000000 0.1700181 -0.1700181), wk = 0.0024096 k( 104) = ( 0.5000000 0.1746131 -0.1746131), wk = 0.0024096 k( 105) = ( 0.5000000 0.1792082 -0.1792082), wk = 0.0024096 k( 106) = ( 0.5000000 0.1838033 -0.1838033), wk = 0.0024096 k( 107) = ( 0.8161967 0.5000000 0.1838033), wk = 0.0024096 k( 108) = ( 0.8116141 0.5000000 0.1883859), wk = 0.0024096 k( 109) = ( 0.8070316 0.5000000 0.1929684), wk = 0.0024096 k( 110) = ( 0.8024490 0.5000000 0.1975510), wk = 0.0024096 k( 111) = ( 0.7978665 0.5000000 0.2021335), wk = 0.0024096 k( 112) = ( 0.7932839 0.5000000 0.2067161), wk = 0.0024096 k( 113) = ( 0.7887013 0.5000000 0.2112987), wk = 0.0024096 k( 114) = ( 0.7841188 0.5000000 0.2158812), wk = 0.0024096 k( 115) = ( 0.7795362 0.5000000 0.2204638), wk = 0.0024096 k( 116) = ( 0.7749537 0.5000000 0.2250463), wk = 0.0024096 k( 117) = ( 0.7703711 0.5000000 0.2296289), wk = 0.0024096 k( 118) = ( 0.7657885 0.5000000 0.2342115), wk = 0.0024096 k( 119) = ( 0.7612060 0.5000000 0.2387940), wk = 0.0024096 k( 120) = ( 0.7566234 0.5000000 0.2433766), wk = 0.0024096 k( 121) = ( 0.7520408 0.5000000 0.2479591), wk = 0.0024096 k( 122) = ( 0.7474583 0.5000000 0.2525417), wk = 0.0024096 k( 123) = ( 0.7428757 0.5000000 0.2571243), wk = 0.0024096 k( 124) = ( 0.7382932 0.5000000 0.2617068), wk = 0.0024096 k( 125) = ( 0.7337106 0.5000000 0.2662894), wk = 0.0024096 k( 126) = ( 0.7291281 0.5000000 0.2708719), wk = 0.0024096 k( 127) = ( 0.7245455 0.5000000 0.2754545), wk = 0.0024096 k( 128) = ( 0.7199629 0.5000000 0.2800371), wk = 0.0024096 k( 129) = ( 0.7153804 0.5000000 0.2846196), wk = 0.0024096 k( 130) = ( 0.7107978 0.5000000 0.2892022), wk = 0.0024096 k( 131) = ( 0.7062152 0.5000000 0.2937848), wk = 0.0024096 k( 132) = ( 0.7016327 0.5000000 0.2983673), wk = 0.0024096 k( 133) = ( 0.6970501 0.5000000 0.3029499), wk = 0.0024096 k( 134) = ( 0.6924676 0.5000000 0.3075324), wk = 0.0024096 k( 135) = ( 0.6878850 0.5000000 0.3121150), wk = 0.0024096 k( 136) = ( 0.6833024 0.5000000 0.3166976), wk = 0.0024096 k( 137) = ( 0.6787199 0.5000000 0.3212801), wk = 0.0024096 k( 138) = ( 0.6741373 0.5000000 0.3258627), wk = 0.0024096 k( 139) = ( 0.6695548 0.5000000 0.3304452), wk = 0.0024096 k( 140) = ( 0.6649722 0.5000000 0.3350278), wk = 0.0024096 k( 141) = ( 0.6603896 0.5000000 0.3396104), wk = 0.0024096 k( 142) = ( 0.6558071 0.5000000 0.3441929), wk = 0.0024096 k( 143) = ( 0.6512245 0.5000000 0.3487755), wk = 0.0024096 k( 144) = ( 0.6466420 0.5000000 0.3533580), wk = 0.0024096 k( 145) = ( 0.6420594 0.5000000 0.3579406), wk = 0.0024096 k( 146) = ( 0.6374768 0.5000000 0.3625232), wk = 0.0024096 k( 147) = ( 0.6328943 0.5000000 0.3671057), wk = 0.0024096 k( 148) = ( 0.6283117 0.5000000 0.3716883), wk = 0.0024096 k( 149) = ( 0.6237291 0.5000000 0.3762708), wk = 0.0024096 k( 150) = ( 0.6191466 0.5000000 0.3808534), wk = 0.0024096 k( 151) = ( 0.6145640 0.5000000 0.3854360), wk = 0.0024096 k( 152) = ( 0.6099815 0.5000000 0.3900185), wk = 0.0024096 k( 153) = ( 0.6053989 0.5000000 0.3946011), wk = 0.0024096 k( 154) = ( 0.6008163 0.5000000 0.3991837), wk = 0.0024096 k( 155) = ( 0.5962338 0.5000000 0.4037662), wk = 0.0024096 k( 156) = ( 0.5916512 0.5000000 0.4083488), wk = 0.0024096 k( 157) = ( 0.5870687 0.5000000 0.4129313), wk = 0.0024096 k( 158) = ( 0.5824861 0.5000000 0.4175139), wk = 0.0024096 k( 159) = ( 0.5779035 0.5000000 0.4220965), wk = 0.0024096 k( 160) = ( 0.5733210 0.5000000 0.4266790), wk = 0.0024096 k( 161) = ( 0.5687384 0.5000000 0.4312616), wk = 0.0024096 k( 162) = ( 0.5641559 0.5000000 0.4358441), wk = 0.0024096 k( 163) = ( 0.5595733 0.5000000 0.4404267), wk = 0.0024096 k( 164) = ( 0.5549907 0.5000000 0.4450093), wk = 0.0024096 k( 165) = ( 0.5504082 0.5000000 0.4495918), wk = 0.0024096 k( 166) = ( 0.5458256 0.5000000 0.4541744), wk = 0.0024096 k( 167) = ( 0.5412430 0.5000000 0.4587569), wk = 0.0024096 k( 168) = ( 0.5366605 0.5000000 0.4633395), wk = 0.0024096 k( 169) = ( 0.5320779 0.5000000 0.4679221), wk = 0.0024096 k( 170) = ( 0.5274954 0.5000000 0.4725046), wk = 0.0024096 k( 171) = ( 0.5229128 0.5000000 0.4770872), wk = 0.0024096 k( 172) = ( 0.5183302 0.5000000 0.4816698), wk = 0.0024096 k( 173) = ( 0.5137477 0.5000000 0.4862523), wk = 0.0024096 k( 174) = ( 0.5091651 0.5000000 0.4908349), wk = 0.0024096 k( 175) = ( 0.5045826 0.5000000 0.4954174), wk = 0.0024096 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024096 k( 177) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024096 k( 178) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0024096 k( 179) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0024096 k( 180) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0024096 k( 181) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0024096 k( 182) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0024096 k( 183) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0024096 k( 184) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0024096 k( 185) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0024096 k( 186) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0024096 k( 187) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0024096 k( 188) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0024096 k( 189) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0024096 k( 190) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0024096 k( 191) = ( 0.2741936 0.2741936 0.2741935), wk = 0.0024096 k( 192) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0024096 k( 193) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0024096 k( 194) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0024096 k( 195) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0024096 k( 196) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0024096 k( 197) = ( 0.1774194 0.1774194 0.1774193), wk = 0.0024096 k( 198) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0024096 k( 199) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0024096 k( 200) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0024096 k( 201) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0024096 k( 202) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0024096 k( 203) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0024096 k( 204) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0024096 k( 205) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0024096 k( 206) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0024096 k( 207) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0024096 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024096 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024096 k( 210) = ( 0.0045587 -0.0000000 -0.0045587), wk = 0.0024096 k( 211) = ( 0.0091174 -0.0000000 -0.0091174), wk = 0.0024096 k( 212) = ( 0.0136761 -0.0000000 -0.0136761), wk = 0.0024096 k( 213) = ( 0.0182348 -0.0000000 -0.0182348), wk = 0.0024096 k( 214) = ( 0.0227934 -0.0000000 -0.0227934), wk = 0.0024096 k( 215) = ( 0.0273521 -0.0000000 -0.0273521), wk = 0.0024096 k( 216) = ( 0.0319108 -0.0000000 -0.0319108), wk = 0.0024096 k( 217) = ( 0.0364695 -0.0000000 -0.0364695), wk = 0.0024096 k( 218) = ( 0.0410282 -0.0000000 -0.0410282), wk = 0.0024096 k( 219) = ( 0.0455869 0.0000000 -0.0455869), wk = 0.0024096 k( 220) = ( 0.0501456 -0.0000000 -0.0501456), wk = 0.0024096 k( 221) = ( 0.0547043 -0.0000000 -0.0547043), wk = 0.0024096 k( 222) = ( 0.0592630 -0.0000000 -0.0592630), wk = 0.0024096 k( 223) = ( 0.0638216 -0.0000000 -0.0638216), wk = 0.0024096 k( 224) = ( 0.0683803 -0.0000000 -0.0683803), wk = 0.0024096 k( 225) = ( 0.0729390 -0.0000000 -0.0729390), wk = 0.0024096 k( 226) = ( 0.0774977 0.0000000 -0.0774977), wk = 0.0024096 k( 227) = ( 0.0820564 -0.0000000 -0.0820564), wk = 0.0024096 k( 228) = ( 0.0866151 -0.0000000 -0.0866151), wk = 0.0024096 k( 229) = ( 0.0911738 0.0000000 -0.0911738), wk = 0.0024096 k( 230) = ( 0.0957325 0.0000000 -0.0957325), wk = 0.0024096 k( 231) = ( 0.1002911 -0.0000000 -0.1002912), wk = 0.0024096 k( 232) = ( 0.1048498 -0.0000000 -0.1048498), wk = 0.0024096 k( 233) = ( 0.1094085 -0.0000000 -0.1094085), wk = 0.0024096 k( 234) = ( 0.1139672 -0.0000000 -0.1139672), wk = 0.0024096 k( 235) = ( 0.1185259 -0.0000000 -0.1185259), wk = 0.0024096 k( 236) = ( 0.1230846 -0.0000000 -0.1230846), wk = 0.0024096 k( 237) = ( 0.1276433 -0.0000000 -0.1276433), wk = 0.0024096 k( 238) = ( 0.1322020 -0.0000000 -0.1322020), wk = 0.0024096 k( 239) = ( 0.1367607 -0.0000000 -0.1367607), wk = 0.0024096 k( 240) = ( 0.1413194 -0.0000000 -0.1413194), wk = 0.0024096 k( 241) = ( 0.1458780 -0.0000000 -0.1458780), wk = 0.0024096 k( 242) = ( 0.1504367 -0.0000000 -0.1504367), wk = 0.0024096 k( 243) = ( 0.1549954 -0.0000000 -0.1549954), wk = 0.0024096 k( 244) = ( 0.1595541 -0.0000000 -0.1595541), wk = 0.0024096 k( 245) = ( 0.1641128 0.0000000 -0.1641128), wk = 0.0024096 k( 246) = ( 0.1686715 -0.0000000 -0.1686715), wk = 0.0024096 k( 247) = ( 0.1732302 -0.0000000 -0.1732302), wk = 0.0024096 k( 248) = ( 0.1777889 -0.0000000 -0.1777889), wk = 0.0024096 k( 249) = ( 0.1823475 0.0000000 -0.1823476), wk = 0.0024096 k( 250) = ( 0.1869062 -0.0000000 -0.1869062), wk = 0.0024096 k( 251) = ( 0.1914649 0.0000000 -0.1914649), wk = 0.0024096 k( 252) = ( 0.1960236 -0.0000000 -0.1960236), wk = 0.0024096 k( 253) = ( 0.2005823 -0.0000000 -0.2005823), wk = 0.0024096 k( 254) = ( 0.2051410 -0.0000000 -0.2051410), wk = 0.0024096 k( 255) = ( 0.2096997 -0.0000000 -0.2096997), wk = 0.0024096 k( 256) = ( 0.2142584 -0.0000000 -0.2142584), wk = 0.0024096 k( 257) = ( 0.2188171 -0.0000000 -0.2188171), wk = 0.0024096 k( 258) = ( 0.2233757 0.0000000 -0.2233757), wk = 0.0024096 k( 259) = ( 0.2279344 -0.0000000 -0.2279344), wk = 0.0024096 k( 260) = ( 0.2324931 -0.0000000 -0.2324931), wk = 0.0024096 k( 261) = ( 0.2370518 -0.0000000 -0.2370518), wk = 0.0024096 k( 262) = ( 0.2416105 -0.0000000 -0.2416105), wk = 0.0024096 k( 263) = ( 0.2461692 -0.0000000 -0.2461692), wk = 0.0024096 k( 264) = ( 0.2507279 0.0000000 -0.2507279), wk = 0.0024096 k( 265) = ( 0.2552866 -0.0000000 -0.2552866), wk = 0.0024096 k( 266) = ( 0.2598453 -0.0000000 -0.2598453), wk = 0.0024096 k( 267) = ( 0.2644039 -0.0000000 -0.2644039), wk = 0.0024096 k( 268) = ( 0.2689626 -0.0000000 -0.2689626), wk = 0.0024096 k( 269) = ( 0.2735213 -0.0000000 -0.2735213), wk = 0.0024096 k( 270) = ( 0.2780800 -0.0000000 -0.2780800), wk = 0.0024096 k( 271) = ( 0.2826387 -0.0000000 -0.2826387), wk = 0.0024096 k( 272) = ( 0.2871974 -0.0000000 -0.2871974), wk = 0.0024096 k( 273) = ( 0.2917561 -0.0000000 -0.2917561), wk = 0.0024096 k( 274) = ( 0.2963148 -0.0000000 -0.2963148), wk = 0.0024096 k( 275) = ( 0.3008734 -0.0000000 -0.3008734), wk = 0.0024096 k( 276) = ( 0.3054321 0.0000000 -0.3054321), wk = 0.0024096 k( 277) = ( 0.3099908 -0.0000000 -0.3099908), wk = 0.0024096 k( 278) = ( 0.3145495 -0.0000000 -0.3145495), wk = 0.0024096 k( 279) = ( 0.3191082 -0.0000000 -0.3191082), wk = 0.0024096 k( 280) = ( 0.3236669 -0.0000000 -0.3236669), wk = 0.0024096 k( 281) = ( 0.3282256 0.0000000 -0.3282256), wk = 0.0024096 k( 282) = ( 0.3327843 -0.0000000 -0.3327843), wk = 0.0024096 k( 283) = ( 0.3373430 -0.0000000 -0.3373430), wk = 0.0024096 k( 284) = ( 0.3419017 0.0000000 -0.3419017), wk = 0.0024096 k( 285) = ( 0.6580984 0.3419017 -0.0000000), wk = 0.0024096 k( 286) = ( 0.6535813 0.3464187 -0.0000000), wk = 0.0024096 k( 287) = ( 0.6490642 0.3509358 -0.0000000), wk = 0.0024096 k( 288) = ( 0.6445471 0.3554529 -0.0000000), wk = 0.0024096 k( 289) = ( 0.6400300 0.3599700 -0.0000000), wk = 0.0024096 k( 290) = ( 0.6355129 0.3644871 -0.0000000), wk = 0.0024096 k( 291) = ( 0.6309958 0.3690042 -0.0000000), wk = 0.0024096 k( 292) = ( 0.6264787 0.3735213 -0.0000000), wk = 0.0024096 k( 293) = ( 0.6219616 0.3780384 -0.0000000), wk = 0.0024096 k( 294) = ( 0.6174445 0.3825555 -0.0000000), wk = 0.0024096 k( 295) = ( 0.6129274 0.3870726 -0.0000000), wk = 0.0024096 k( 296) = ( 0.6084103 0.3915897 -0.0000000), wk = 0.0024096 k( 297) = ( 0.6038932 0.3961068 -0.0000000), wk = 0.0024096 k( 298) = ( 0.5993761 0.4006239 -0.0000000), wk = 0.0024096 k( 299) = ( 0.5948590 0.4051410 -0.0000000), wk = 0.0024096 k( 300) = ( 0.5903419 0.4096581 -0.0000000), wk = 0.0024096 k( 301) = ( 0.5858248 0.4141752 -0.0000000), wk = 0.0024096 k( 302) = ( 0.5813077 0.4186923 -0.0000000), wk = 0.0024096 k( 303) = ( 0.5767906 0.4232094 -0.0000000), wk = 0.0024096 k( 304) = ( 0.5722735 0.4277265 -0.0000000), wk = 0.0024096 k( 305) = ( 0.5677564 0.4322436 -0.0000000), wk = 0.0024096 k( 306) = ( 0.5632393 0.4367607 -0.0000000), wk = 0.0024096 k( 307) = ( 0.5587222 0.4412778 -0.0000000), wk = 0.0024096 k( 308) = ( 0.5542052 0.4457949 -0.0000000), wk = 0.0024096 k( 309) = ( 0.5496880 0.4503120 -0.0000000), wk = 0.0024096 k( 310) = ( 0.5451710 0.4548290 -0.0000000), wk = 0.0024096 k( 311) = ( 0.5406539 0.4593461 -0.0000000), wk = 0.0024096 k( 312) = ( 0.5361368 0.4638632 -0.0000000), wk = 0.0024096 k( 313) = ( 0.5316197 0.4683803 -0.0000000), wk = 0.0024096 k( 314) = ( 0.5271026 0.4728974 -0.0000000), wk = 0.0024096 k( 315) = ( 0.5225855 0.4774145 -0.0000000), wk = 0.0024096 k( 316) = ( 0.5180684 0.4819316 -0.0000000), wk = 0.0024096 k( 317) = ( 0.5135513 0.4864487 -0.0000000), wk = 0.0024096 k( 318) = ( 0.5090342 0.4909658 -0.0000000), wk = 0.0024096 k( 319) = ( 0.5045171 0.4954829 -0.0000000), wk = 0.0024096 k( 320) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024096 k( 321) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024096 k( 322) = ( 0.5143726 0.5143726 0.0167094), wk = 0.0024096 k( 323) = ( 0.5287452 0.5287452 0.0334188), wk = 0.0024096 k( 324) = ( 0.5431177 0.5431177 0.0501282), wk = 0.0024096 k( 325) = ( 0.5574903 0.5574903 0.0668376), wk = 0.0024096 k( 326) = ( 0.5718629 0.5718629 0.0835469), wk = 0.0024096 k( 327) = ( 0.5862355 0.5862355 0.1002563), wk = 0.0024096 k( 328) = ( 0.6006080 0.6006080 0.1169657), wk = 0.0024096 k( 329) = ( 0.6149806 0.6149806 0.1336751), wk = 0.0024096 k( 330) = ( 0.6293532 0.6293532 0.1503845), wk = 0.0024096 k( 331) = ( 0.6437258 0.6437258 0.1670939), wk = 0.0024096 k( 332) = ( 0.6580984 0.6580984 0.1838033), wk = 0.0024096 k( 333) = ( 0.6580984 0.6580984 0.1838033), wk = 0.0024096 k( 334) = ( 0.6554634 0.6554634 0.1890732), wk = 0.0024096 k( 335) = ( 0.6528284 0.6528284 0.1943432), wk = 0.0024096 k( 336) = ( 0.6501934 0.6501934 0.1996131), wk = 0.0024096 k( 337) = ( 0.6475585 0.6475585 0.2048831), wk = 0.0024096 k( 338) = ( 0.6449235 0.6449235 0.2101530), wk = 0.0024096 k( 339) = ( 0.6422885 0.6422885 0.2154230), wk = 0.0024096 k( 340) = ( 0.6396536 0.6396536 0.2206929), wk = 0.0024096 k( 341) = ( 0.6370186 0.6370186 0.2259629), wk = 0.0024096 k( 342) = ( 0.6343836 0.6343836 0.2312328), wk = 0.0024096 k( 343) = ( 0.6317486 0.6317486 0.2365027), wk = 0.0024096 k( 344) = ( 0.6291136 0.6291136 0.2417727), wk = 0.0024096 k( 345) = ( 0.6264787 0.6264787 0.2470426), wk = 0.0024096 k( 346) = ( 0.6238437 0.6238437 0.2523126), wk = 0.0024096 k( 347) = ( 0.6212087 0.6212087 0.2575825), wk = 0.0024096 k( 348) = ( 0.6185738 0.6185738 0.2628525), wk = 0.0024096 k( 349) = ( 0.6159388 0.6159388 0.2681224), wk = 0.0024096 k( 350) = ( 0.6133038 0.6133038 0.2733924), wk = 0.0024096 k( 351) = ( 0.6106689 0.6106689 0.2786623), wk = 0.0024096 k( 352) = ( 0.6080339 0.6080339 0.2839322), wk = 0.0024096 k( 353) = ( 0.6053989 0.6053989 0.2892022), wk = 0.0024096 k( 354) = ( 0.6027639 0.6027639 0.2944721), wk = 0.0024096 k( 355) = ( 0.6001290 0.6001290 0.2997421), wk = 0.0024096 k( 356) = ( 0.5974940 0.5974940 0.3050120), wk = 0.0024096 k( 357) = ( 0.5948590 0.5948590 0.3102820), wk = 0.0024096 k( 358) = ( 0.5922240 0.5922240 0.3155519), wk = 0.0024096 k( 359) = ( 0.5895891 0.5895891 0.3208219), wk = 0.0024096 k( 360) = ( 0.5869541 0.5869541 0.3260918), wk = 0.0024096 k( 361) = ( 0.5843191 0.5843191 0.3313618), wk = 0.0024096 k( 362) = ( 0.5816841 0.5816841 0.3366317), wk = 0.0024096 k( 363) = ( 0.5790492 0.5790492 0.3419016), wk = 0.0024096 k( 364) = ( 0.5764142 0.5764142 0.3471716), wk = 0.0024096 k( 365) = ( 0.5737792 0.5737792 0.3524415), wk = 0.0024096 k( 366) = ( 0.5711443 0.5711443 0.3577115), wk = 0.0024096 k( 367) = ( 0.5685093 0.5685093 0.3629814), wk = 0.0024096 k( 368) = ( 0.5658743 0.5658743 0.3682514), wk = 0.0024096 k( 369) = ( 0.5632393 0.5632393 0.3735213), wk = 0.0024096 k( 370) = ( 0.5606044 0.5606044 0.3787913), wk = 0.0024096 k( 371) = ( 0.5579694 0.5579694 0.3840612), wk = 0.0024096 k( 372) = ( 0.5553344 0.5553344 0.3893312), wk = 0.0024096 k( 373) = ( 0.5526994 0.5526994 0.3946011), wk = 0.0024096 k( 374) = ( 0.5500645 0.5500645 0.3998710), wk = 0.0024096 k( 375) = ( 0.5474295 0.5474295 0.4051410), wk = 0.0024096 k( 376) = ( 0.5447945 0.5447945 0.4104109), wk = 0.0024096 k( 377) = ( 0.5421596 0.5421596 0.4156809), wk = 0.0024096 k( 378) = ( 0.5395246 0.5395246 0.4209508), wk = 0.0024096 k( 379) = ( 0.5368896 0.5368896 0.4262208), wk = 0.0024096 k( 380) = ( 0.5342546 0.5342546 0.4314907), wk = 0.0024096 k( 381) = ( 0.5316197 0.5316197 0.4367607), wk = 0.0024096 k( 382) = ( 0.5289847 0.5289847 0.4420306), wk = 0.0024096 k( 383) = ( 0.5263497 0.5263497 0.4473005), wk = 0.0024096 k( 384) = ( 0.5237148 0.5237148 0.4525705), wk = 0.0024096 k( 385) = ( 0.5210798 0.5210798 0.4578404), wk = 0.0024096 k( 386) = ( 0.5184448 0.5184448 0.4631104), wk = 0.0024096 k( 387) = ( 0.5158098 0.5158098 0.4683803), wk = 0.0024096 k( 388) = ( 0.5131749 0.5131749 0.4736503), wk = 0.0024096 k( 389) = ( 0.5105399 0.5105399 0.4789202), wk = 0.0024096 k( 390) = ( 0.5079049 0.5079049 0.4841902), wk = 0.0024096 k( 391) = ( 0.5052699 0.5052699 0.4894601), wk = 0.0024096 k( 392) = ( 0.5026350 0.5026350 0.4947300), wk = 0.0024096 k( 393) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024096 k( 394) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024096 k( 395) = ( 0.5150570 0.0162810 0.0162810), wk = 0.0024096 k( 396) = ( 0.5301140 0.0325621 0.0325621), wk = 0.0024096 k( 397) = ( 0.5451710 0.0488431 0.0488431), wk = 0.0024096 k( 398) = ( 0.5602279 0.0651241 0.0651241), wk = 0.0024096 k( 399) = ( 0.5752849 0.0814051 0.0814051), wk = 0.0024096 k( 400) = ( 0.5903419 0.0976862 0.0976862), wk = 0.0024096 k( 401) = ( 0.6053989 0.1139672 0.1139672), wk = 0.0024096 k( 402) = ( 0.6204559 0.1302482 0.1302482), wk = 0.0024096 k( 403) = ( 0.6355129 0.1465293 0.1465293), wk = 0.0024096 k( 404) = ( 0.6505699 0.1628103 0.1628103), wk = 0.0024096 k( 405) = ( 0.6656268 0.1790913 0.1790913), wk = 0.0024096 k( 406) = ( 0.6806838 0.1953724 0.1953724), wk = 0.0024096 k( 407) = ( 0.6957408 0.2116534 0.2116534), wk = 0.0024096 k( 408) = ( 0.7107978 0.2279344 0.2279344), wk = 0.0024096 k( 409) = ( 0.7258548 0.2442155 0.2442155), wk = 0.0024096 k( 410) = ( 0.7409118 0.2604965 0.2604965), wk = 0.0024096 k( 411) = ( 0.7559688 0.2767775 0.2767775), wk = 0.0024096 k( 412) = ( 0.7710257 0.2930585 0.2930585), wk = 0.0024096 k( 413) = ( 0.7860827 0.3093396 0.3093396), wk = 0.0024096 k( 414) = ( 0.8011397 0.3256206 0.3256206), wk = 0.0024096 k( 415) = ( 0.8161967 0.3419017 0.3419016), wk = 0.0024096 Dense grid: 25029 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 24583 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 184, 46) NL pseudopotentials 0.11 Mb ( 92, 76) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 696) G-vector shells 0.00 Mb ( 588) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 184, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.11 Mb ( 76, 2, 46) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./NaCoO2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.4 secs Computing kpt #: 14 total cpu time spent up to now is 8.8 secs Computing kpt #: 15 total cpu time spent up to now is 9.2 secs Computing kpt #: 16 total cpu time spent up to now is 9.5 secs Computing kpt #: 17 total cpu time spent up to now is 9.9 secs Computing kpt #: 18 total cpu time spent up to now is 10.3 secs Computing kpt #: 19 total cpu time spent up to now is 10.7 secs Computing kpt #: 20 total cpu time spent up to now is 11.0 secs Computing kpt #: 21 total cpu time spent up to now is 11.4 secs Computing kpt #: 22 total cpu time spent up to now is 11.8 secs Computing kpt #: 23 total cpu time spent up to now is 12.2 secs Computing kpt #: 24 total cpu time spent up to now is 12.6 secs Computing kpt #: 25 total cpu time spent up to now is 12.9 secs Computing kpt #: 26 total cpu time spent up to now is 13.3 secs Computing kpt #: 27 total cpu time spent up to now is 13.7 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.5 secs Computing kpt #: 30 total cpu time spent up to now is 14.9 secs Computing kpt #: 31 total cpu time spent up to now is 15.3 secs Computing kpt #: 32 total cpu time spent up to now is 15.7 secs Computing kpt #: 33 total cpu time spent up to now is 16.1 secs Computing kpt #: 34 total cpu time spent up to now is 16.5 secs Computing kpt #: 35 total cpu time spent up to now is 16.9 secs Computing kpt #: 36 total cpu time spent up to now is 17.3 secs Computing kpt #: 37 total cpu time spent up to now is 17.7 secs Computing kpt #: 38 total cpu time spent up to now is 18.1 secs Computing kpt #: 39 total cpu time spent up to now is 18.5 secs Computing kpt #: 40 total cpu time spent up to now is 18.9 secs Computing kpt #: 41 total cpu time spent up to now is 19.3 secs Computing kpt #: 42 total cpu time spent up to now is 19.7 secs Computing kpt #: 43 total cpu time spent up to now is 20.1 secs Computing kpt #: 44 total cpu time spent up to now is 20.5 secs Computing kpt #: 45 total cpu time spent up to now is 20.9 secs Computing kpt #: 46 total cpu time spent up to now is 21.3 secs Computing kpt #: 47 total cpu time spent up to now is 21.7 secs Computing kpt #: 48 total cpu time spent up to now is 22.1 secs Computing kpt #: 49 total cpu time spent up to now is 22.5 secs Computing kpt #: 50 total cpu time spent up to now is 22.9 secs Computing kpt #: 51 total cpu time spent up to now is 23.3 secs Computing kpt #: 52 total cpu time spent up to now is 23.7 secs Computing kpt #: 53 total cpu time spent up to now is 24.1 secs Computing kpt #: 54 total cpu time spent up to now is 24.5 secs Computing kpt #: 55 total cpu time spent up to now is 24.9 secs Computing kpt #: 56 total cpu time spent up to now is 25.3 secs Computing kpt #: 57 total cpu time spent up to now is 25.7 secs Computing kpt #: 58 total cpu time spent up to now is 26.1 secs Computing kpt #: 59 total cpu time spent up to now is 26.5 secs Computing kpt #: 60 total cpu time spent up to now is 26.9 secs Computing kpt #: 61 total cpu time spent up to now is 27.4 secs Computing kpt #: 62 total cpu time spent up to now is 27.8 secs Computing kpt #: 63 total cpu time spent up to now is 28.2 secs Computing kpt #: 64 total cpu time spent up to now is 28.6 secs Computing kpt #: 65 total cpu time spent up to now is 29.0 secs Computing kpt #: 66 total cpu time spent up to now is 29.5 secs Computing kpt #: 67 total cpu time spent up to now is 29.9 secs Computing kpt #: 68 total cpu time spent up to now is 30.3 secs Computing kpt #: 69 total cpu time spent up to now is 30.7 secs Computing kpt #: 70 total cpu time spent up to now is 31.1 secs Computing kpt #: 71 total cpu time spent up to now is 31.6 secs Computing kpt #: 72 total cpu time spent up to now is 32.0 secs Computing kpt #: 73 total cpu time spent up to now is 32.4 secs Computing kpt #: 74 total cpu time spent up to now is 32.8 secs Computing kpt #: 75 total cpu time spent up to now is 33.2 secs Computing kpt #: 76 total cpu time spent up to now is 33.6 secs Computing kpt #: 77 total cpu time spent up to now is 34.0 secs Computing kpt #: 78 total cpu time spent up to now is 34.4 secs Computing kpt #: 79 total cpu time spent up to now is 34.8 secs Computing kpt #: 80 total cpu time spent up to now is 35.2 secs Computing kpt #: 81 total cpu time spent up to now is 35.7 secs Computing kpt #: 82 total cpu time spent up to now is 36.1 secs Computing kpt #: 83 total cpu time spent up to now is 36.5 secs Computing kpt #: 84 total cpu time spent up to now is 36.9 secs Computing kpt #: 85 total cpu time spent up to now is 37.3 secs Computing kpt #: 86 total cpu time spent up to now is 37.7 secs Computing kpt #: 87 total cpu time spent up to now is 38.1 secs Computing kpt #: 88 total cpu time spent up to now is 38.5 secs Computing kpt #: 89 total cpu time spent up to now is 38.9 secs Computing kpt #: 90 total cpu time spent up to now is 39.3 secs Computing kpt #: 91 total cpu time spent up to now is 39.7 secs Computing kpt #: 92 total cpu time spent up to now is 40.1 secs Computing kpt #: 93 total cpu time spent up to now is 40.4 secs Computing kpt #: 94 total cpu time spent up to now is 40.8 secs Computing kpt #: 95 total cpu time spent up to now is 41.2 secs Computing kpt #: 96 total cpu time spent up to now is 41.6 secs Computing kpt #: 97 total cpu time spent up to now is 42.0 secs Computing kpt #: 98 total cpu time spent up to now is 42.4 secs Computing kpt #: 99 total cpu time spent up to now is 42.8 secs Computing kpt #: 100 total cpu time spent up to now is 43.2 secs Computing kpt #: 101 total cpu time spent up to now is 43.6 secs Computing kpt #: 102 total cpu time spent up to now is 44.0 secs Computing kpt #: 103 total cpu time spent up to now is 44.4 secs Computing kpt #: 104 total cpu time spent up to now is 44.7 secs Computing kpt #: 105 total cpu time spent up to now is 45.1 secs Computing kpt #: 106 total cpu time spent up to now is 45.5 secs Computing kpt #: 107 total cpu time spent up to now is 45.9 secs Computing kpt #: 108 total cpu time spent up to now is 46.3 secs Computing kpt #: 109 total cpu time spent up to now is 46.7 secs Computing kpt #: 110 total cpu time spent up to now is 47.1 secs Computing kpt #: 111 total cpu time spent up to now is 47.4 secs Computing kpt #: 112 total cpu time spent up to now is 47.8 secs Computing kpt #: 113 total cpu time spent up to now is 48.2 secs Computing kpt #: 114 total cpu time spent up to now is 48.6 secs Computing kpt #: 115 total cpu time spent up to now is 49.0 secs Computing kpt #: 116 total cpu time spent up to now is 49.4 secs Computing kpt #: 117 total cpu time spent up to now is 49.8 secs Computing kpt #: 118 total cpu time spent up to now is 50.2 secs Computing kpt #: 119 total cpu time spent up to now is 50.6 secs Computing kpt #: 120 total cpu time spent up to now is 51.1 secs Computing kpt #: 121 total cpu time spent up to now is 51.5 secs Computing kpt #: 122 total cpu time spent up to now is 51.9 secs Computing kpt #: 123 total cpu time spent up to now is 52.3 secs Computing kpt #: 124 total cpu time spent up to now is 52.7 secs Computing kpt #: 125 total cpu time spent up to now is 53.1 secs Computing kpt #: 126 total cpu time spent up to now is 53.6 secs Computing kpt #: 127 total cpu time spent up to now is 54.1 secs Computing kpt #: 128 total cpu time spent up to now is 54.6 secs Computing kpt #: 129 total cpu time spent up to now is 55.0 secs Computing kpt #: 130 total cpu time spent up to now is 55.5 secs Computing kpt #: 131 total cpu time spent up to now is 56.0 secs Computing kpt #: 132 total cpu time spent up to now is 56.4 secs Computing kpt #: 133 total cpu time spent up to now is 56.8 secs Computing kpt #: 134 total cpu time spent up to now is 57.2 secs Computing kpt #: 135 total cpu time spent up to now is 57.7 secs Computing kpt #: 136 total cpu time spent up to now is 58.1 secs Computing kpt #: 137 total cpu time spent up to now is 58.5 secs Computing kpt #: 138 total cpu time spent up to now is 58.9 secs Computing kpt #: 139 total cpu time spent up to now is 59.3 secs Computing kpt #: 140 total cpu time spent up to now is 59.7 secs Computing kpt #: 141 total cpu time spent up to now is 60.1 secs Computing kpt #: 142 total cpu time spent up to now is 60.4 secs Computing kpt #: 143 total cpu time spent up to now is 60.8 secs Computing kpt #: 144 total cpu time spent up to now is 61.2 secs Computing kpt #: 145 total cpu time spent up to now is 61.6 secs Computing kpt #: 146 total cpu time spent up to now is 61.9 secs Computing kpt #: 147 total cpu time spent up to now is 62.3 secs Computing kpt #: 148 total cpu time spent up to now is 62.7 secs Computing kpt #: 149 total cpu time spent up to now is 63.1 secs Computing kpt #: 150 total cpu time spent up to now is 63.4 secs Computing kpt #: 151 total cpu time spent up to now is 63.7 secs Computing kpt #: 152 total cpu time spent up to now is 64.1 secs Computing kpt #: 153 total cpu time spent up to now is 64.4 secs Computing kpt #: 154 total cpu time spent up to now is 64.8 secs Computing kpt #: 155 total cpu time spent up to now is 65.1 secs Computing kpt #: 156 total cpu time spent up to now is 65.5 secs Computing kpt #: 157 total cpu time spent up to now is 65.9 secs Computing kpt #: 158 total cpu time spent up to now is 66.2 secs Computing kpt #: 159 total cpu time spent up to now is 66.5 secs Computing kpt #: 160 total cpu time spent up to now is 66.9 secs Computing kpt #: 161 total cpu time spent up to now is 67.2 secs Computing kpt #: 162 total cpu time spent up to now is 67.6 secs Computing kpt #: 163 total cpu time spent up to now is 67.9 secs Computing kpt #: 164 total cpu time spent up to now is 68.3 secs Computing kpt #: 165 total cpu time spent up to now is 68.6 secs Computing kpt #: 166 total cpu time spent up to now is 68.9 secs Computing kpt #: 167 total cpu time spent up to now is 69.3 secs Computing kpt #: 168 total cpu time spent up to now is 69.6 secs Computing kpt #: 169 total cpu time spent up to now is 69.9 secs Computing kpt #: 170 total cpu time spent up to now is 70.3 secs Computing kpt #: 171 total cpu time spent up to now is 70.6 secs Computing kpt #: 172 total cpu time spent up to now is 71.0 secs Computing kpt #: 173 total cpu time spent up to now is 71.3 secs Computing kpt #: 174 total cpu time spent up to now is 71.6 secs Computing kpt #: 175 total cpu time spent up to now is 72.0 secs Computing kpt #: 176 total cpu time spent up to now is 72.3 secs Computing kpt #: 177 total cpu time spent up to now is 72.6 secs Computing kpt #: 178 total cpu time spent up to now is 73.0 secs Computing kpt #: 179 total cpu time spent up to now is 73.3 secs Computing kpt #: 180 total cpu time spent up to now is 73.6 secs Computing kpt #: 181 total cpu time spent up to now is 74.0 secs Computing kpt #: 182 total cpu time spent up to now is 74.3 secs Computing kpt #: 183 total cpu time spent up to now is 74.7 secs Computing kpt #: 184 total cpu time spent up to now is 75.0 secs Computing kpt #: 185 total cpu time spent up to now is 75.4 secs Computing kpt #: 186 total cpu time spent up to now is 75.7 secs Computing kpt #: 187 total cpu time spent up to now is 76.1 secs Computing kpt #: 188 total cpu time spent up to now is 76.5 secs Computing kpt #: 189 total cpu time spent up to now is 76.8 secs Computing kpt #: 190 total cpu time spent up to now is 77.2 secs Computing kpt #: 191 total cpu time spent up to now is 77.6 secs Computing kpt #: 192 total cpu time spent up to now is 78.0 secs Computing kpt #: 193 total cpu time spent up to now is 78.3 secs Computing kpt #: 194 total cpu time spent up to now is 78.7 secs Computing kpt #: 195 total cpu time spent up to now is 79.1 secs Computing kpt #: 196 total cpu time spent up to now is 79.4 secs Computing kpt #: 197 total cpu time spent up to now is 79.8 secs Computing kpt #: 198 total cpu time spent up to now is 80.2 secs Computing kpt #: 199 total cpu time spent up to now is 80.6 secs Computing kpt #: 200 total cpu time spent up to now is 81.0 secs Computing kpt #: 201 total cpu time spent up to now is 81.3 secs Computing kpt #: 202 total cpu time spent up to now is 81.7 secs Computing kpt #: 203 total cpu time spent up to now is 82.1 secs Computing kpt #: 204 total cpu time spent up to now is 82.4 secs Computing kpt #: 205 total cpu time spent up to now is 82.8 secs Computing kpt #: 206 total cpu time spent up to now is 83.2 secs Computing kpt #: 207 total cpu time spent up to now is 83.5 secs Computing kpt #: 208 total cpu time spent up to now is 83.9 secs Computing kpt #: 209 total cpu time spent up to now is 84.3 secs Computing kpt #: 210 total cpu time spent up to now is 84.7 secs Computing kpt #: 211 total cpu time spent up to now is 85.0 secs Computing kpt #: 212 total cpu time spent up to now is 85.4 secs Computing kpt #: 213 total cpu time spent up to now is 85.8 secs Computing kpt #: 214 total cpu time spent up to now is 86.2 secs Computing kpt #: 215 total cpu time spent up to now is 86.5 secs Computing kpt #: 216 total cpu time spent up to now is 86.9 secs Computing kpt #: 217 total cpu time spent up to now is 87.3 secs Computing kpt #: 218 total cpu time spent up to now is 87.7 secs Computing kpt #: 219 total cpu time spent up to now is 88.0 secs Computing kpt #: 220 total cpu time spent up to now is 88.4 secs Computing kpt #: 221 total cpu time spent up to now is 88.8 secs Computing kpt #: 222 total cpu time spent up to now is 89.2 secs Computing kpt #: 223 total cpu time spent up to now is 89.5 secs Computing kpt #: 224 total cpu time spent up to now is 89.9 secs Computing kpt #: 225 total cpu time spent up to now is 90.3 secs Computing kpt #: 226 total cpu time spent up to now is 90.7 secs Computing kpt #: 227 total cpu time spent up to now is 91.1 secs Computing kpt #: 228 total cpu time spent up to now is 91.5 secs Computing kpt #: 229 total cpu time spent up to now is 91.8 secs Computing kpt #: 230 total cpu time spent up to now is 92.2 secs Computing kpt #: 231 total cpu time spent up to now is 92.6 secs Computing kpt #: 232 total cpu time spent up to now is 93.0 secs Computing kpt #: 233 total cpu time spent up to now is 93.4 secs Computing kpt #: 234 total cpu time spent up to now is 93.8 secs Computing kpt #: 235 total cpu time spent up to now is 94.2 secs Computing kpt #: 236 total cpu time spent up to now is 94.6 secs Computing kpt #: 237 total cpu time spent up to now is 95.0 secs Computing kpt #: 238 total cpu time spent up to now is 95.4 secs Computing kpt #: 239 total cpu time spent up to now is 95.9 secs Computing kpt #: 240 total cpu time spent up to now is 96.4 secs Computing kpt #: 241 total cpu time spent up to now is 96.8 secs Computing kpt #: 242 total cpu time spent up to now is 97.2 secs Computing kpt #: 243 total cpu time spent up to now is 97.7 secs Computing kpt #: 244 total cpu time spent up to now is 98.2 secs Computing kpt #: 245 total cpu time spent up to now is 98.6 secs Computing kpt #: 246 total cpu time spent up to now is 99.1 secs Computing kpt #: 247 total cpu time spent up to now is 99.5 secs Computing kpt #: 248 total cpu time spent up to now is 99.9 secs Computing kpt #: 249 total cpu time spent up to now is 100.3 secs Computing kpt #: 250 total cpu time spent up to now is 100.7 secs Computing kpt #: 251 total cpu time spent up to now is 101.1 secs Computing kpt #: 252 total cpu time spent up to now is 101.6 secs Computing kpt #: 253 total cpu time spent up to now is 102.0 secs Computing kpt #: 254 total cpu time spent up to now is 102.4 secs Computing kpt #: 255 total cpu time spent up to now is 102.8 secs Computing kpt #: 256 total cpu time spent up to now is 103.2 secs Computing kpt #: 257 total cpu time spent up to now is 103.6 secs Computing kpt #: 258 total cpu time spent up to now is 104.0 secs Computing kpt #: 259 total cpu time spent up to now is 104.4 secs Computing kpt #: 260 total cpu time spent up to now is 104.8 secs Computing kpt #: 261 total cpu time spent up to now is 105.2 secs Computing kpt #: 262 total cpu time spent up to now is 105.6 secs Computing kpt #: 263 total cpu time spent up to now is 106.1 secs Computing kpt #: 264 total cpu time spent up to now is 106.5 secs Computing kpt #: 265 total cpu time spent up to now is 106.9 secs Computing kpt #: 266 total cpu time spent up to now is 107.3 secs Computing kpt #: 267 total cpu time spent up to now is 107.7 secs Computing kpt #: 268 total cpu time spent up to now is 108.1 secs Computing kpt #: 269 total cpu time spent up to now is 108.5 secs Computing kpt #: 270 total cpu time spent up to now is 108.9 secs Computing kpt #: 271 total cpu time spent up to now is 109.3 secs Computing kpt #: 272 total cpu time spent up to now is 109.7 secs Computing kpt #: 273 total cpu time spent up to now is 110.1 secs Computing kpt #: 274 total cpu time spent up to now is 110.5 secs Computing kpt #: 275 total cpu time spent up to now is 110.9 secs Computing kpt #: 276 total cpu time spent up to now is 111.3 secs Computing kpt #: 277 total cpu time spent up to now is 111.7 secs Computing kpt #: 278 total cpu time spent up to now is 112.1 secs Computing kpt #: 279 total cpu time spent up to now is 112.5 secs Computing kpt #: 280 total cpu time spent up to now is 112.9 secs Computing kpt #: 281 total cpu time spent up to now is 113.3 secs Computing kpt #: 282 total cpu time spent up to now is 113.7 secs Computing kpt #: 283 total cpu time spent up to now is 114.1 secs Computing kpt #: 284 total cpu time spent up to now is 114.5 secs Computing kpt #: 285 total cpu time spent up to now is 114.9 secs Computing kpt #: 286 total cpu time spent up to now is 115.3 secs Computing kpt #: 287 total cpu time spent up to now is 115.7 secs Computing kpt #: 288 total cpu time spent up to now is 116.1 secs Computing kpt #: 289 total cpu time spent up to now is 116.5 secs Computing kpt #: 290 total cpu time spent up to now is 116.9 secs Computing kpt #: 291 total cpu time spent up to now is 117.3 secs Computing kpt #: 292 total cpu time spent up to now is 117.7 secs Computing kpt #: 293 total cpu time spent up to now is 118.1 secs Computing kpt #: 294 total cpu time spent up to now is 118.5 secs Computing kpt #: 295 total cpu time spent up to now is 118.9 secs Computing kpt #: 296 total cpu time spent up to now is 119.3 secs Computing kpt #: 297 total cpu time spent up to now is 119.7 secs Computing kpt #: 298 total cpu time spent up to now is 120.1 secs Computing kpt #: 299 total cpu time spent up to now is 120.5 secs Computing kpt #: 300 total cpu time spent up to now is 120.9 secs Computing kpt #: 301 total cpu time spent up to now is 121.3 secs Computing kpt #: 302 total cpu time spent up to now is 121.7 secs Computing kpt #: 303 total cpu time spent up to now is 122.1 secs Computing kpt #: 304 total cpu time spent up to now is 122.4 secs Computing kpt #: 305 total cpu time spent up to now is 122.8 secs Computing kpt #: 306 total cpu time spent up to now is 123.2 secs Computing kpt #: 307 total cpu time spent up to now is 123.6 secs Computing kpt #: 308 total cpu time spent up to now is 124.0 secs Computing kpt #: 309 total cpu time spent up to now is 124.4 secs Computing kpt #: 310 total cpu time spent up to now is 124.8 secs Computing kpt #: 311 total cpu time spent up to now is 125.2 secs Computing kpt #: 312 total cpu time spent up to now is 125.6 secs Computing kpt #: 313 total cpu time spent up to now is 126.0 secs Computing kpt #: 314 total cpu time spent up to now is 126.4 secs Computing kpt #: 315 total cpu time spent up to now is 126.8 secs Computing kpt #: 316 total cpu time spent up to now is 127.2 secs Computing kpt #: 317 total cpu time spent up to now is 127.6 secs Computing kpt #: 318 total cpu time spent up to now is 128.0 secs Computing kpt #: 319 total cpu time spent up to now is 128.4 secs Computing kpt #: 320 total cpu time spent up to now is 128.8 secs Computing kpt #: 321 total cpu time spent up to now is 129.1 secs Computing kpt #: 322 total cpu time spent up to now is 129.5 secs Computing kpt #: 323 total cpu time spent up to now is 129.9 secs Computing kpt #: 324 total cpu time spent up to now is 130.3 secs Computing kpt #: 325 total cpu time spent up to now is 130.7 secs Computing kpt #: 326 total cpu time spent up to now is 131.1 secs Computing kpt #: 327 total cpu time spent up to now is 131.5 secs Computing kpt #: 328 total cpu time spent up to now is 131.9 secs Computing kpt #: 329 total cpu time spent up to now is 132.3 secs Computing kpt #: 330 total cpu time spent up to now is 132.7 secs Computing kpt #: 331 total cpu time spent up to now is 133.0 secs Computing kpt #: 332 total cpu time spent up to now is 133.4 secs Computing kpt #: 333 total cpu time spent up to now is 133.8 secs Computing kpt #: 334 total cpu time spent up to now is 134.3 secs Computing kpt #: 335 total cpu time spent up to now is 134.7 secs Computing kpt #: 336 total cpu time spent up to now is 135.1 secs Computing kpt #: 337 total cpu time spent up to now is 135.5 secs Computing kpt #: 338 total cpu time spent up to now is 135.9 secs Computing kpt #: 339 total cpu time spent up to now is 136.3 secs Computing kpt #: 340 total cpu time spent up to now is 136.7 secs Computing kpt #: 341 total cpu time spent up to now is 137.1 secs Computing kpt #: 342 total cpu time spent up to now is 137.5 secs Computing kpt #: 343 total cpu time spent up to now is 138.0 secs Computing kpt #: 344 total cpu time spent up to now is 138.5 secs Computing kpt #: 345 total cpu time spent up to now is 139.1 secs Computing kpt #: 346 total cpu time spent up to now is 139.5 secs Computing kpt #: 347 total cpu time spent up to now is 139.9 secs Computing kpt #: 348 total cpu time spent up to now is 140.3 secs Computing kpt #: 349 total cpu time spent up to now is 140.8 secs Computing kpt #: 350 total cpu time spent up to now is 141.2 secs Computing kpt #: 351 total cpu time spent up to now is 141.6 secs Computing kpt #: 352 total cpu time spent up to now is 142.0 secs Computing kpt #: 353 total cpu time spent up to now is 142.4 secs Computing kpt #: 354 total cpu time spent up to now is 142.8 secs Computing kpt #: 355 total cpu time spent up to now is 143.2 secs Computing kpt #: 356 total cpu time spent up to now is 143.6 secs Computing kpt #: 357 total cpu time spent up to now is 144.0 secs Computing kpt #: 358 total cpu time spent up to now is 144.4 secs Computing kpt #: 359 total cpu time spent up to now is 144.8 secs Computing kpt #: 360 total cpu time spent up to now is 145.2 secs Computing kpt #: 361 total cpu time spent up to now is 145.5 secs Computing kpt #: 362 total cpu time spent up to now is 145.9 secs Computing kpt #: 363 total cpu time spent up to now is 146.3 secs Computing kpt #: 364 total cpu time spent up to now is 146.6 secs Computing kpt #: 365 total cpu time spent up to now is 147.0 secs Computing kpt #: 366 total cpu time spent up to now is 147.4 secs Computing kpt #: 367 total cpu time spent up to now is 147.7 secs Computing kpt #: 368 total cpu time spent up to now is 148.1 secs Computing kpt #: 369 total cpu time spent up to now is 148.4 secs Computing kpt #: 370 total cpu time spent up to now is 148.9 secs Computing kpt #: 371 total cpu time spent up to now is 149.3 secs Computing kpt #: 372 total cpu time spent up to now is 149.6 secs Computing kpt #: 373 total cpu time spent up to now is 150.0 secs Computing kpt #: 374 total cpu time spent up to now is 150.3 secs Computing kpt #: 375 total cpu time spent up to now is 150.7 secs Computing kpt #: 376 total cpu time spent up to now is 151.0 secs Computing kpt #: 377 total cpu time spent up to now is 151.4 secs Computing kpt #: 378 total cpu time spent up to now is 151.7 secs Computing kpt #: 379 total cpu time spent up to now is 152.0 secs Computing kpt #: 380 total cpu time spent up to now is 152.4 secs Computing kpt #: 381 total cpu time spent up to now is 152.7 secs Computing kpt #: 382 total cpu time spent up to now is 153.0 secs Computing kpt #: 383 total cpu time spent up to now is 153.4 secs Computing kpt #: 384 total cpu time spent up to now is 153.7 secs Computing kpt #: 385 total cpu time spent up to now is 154.0 secs Computing kpt #: 386 total cpu time spent up to now is 154.5 secs Computing kpt #: 387 total cpu time spent up to now is 155.0 secs Computing kpt #: 388 total cpu time spent up to now is 155.5 secs Computing kpt #: 389 total cpu time spent up to now is 156.0 secs Computing kpt #: 390 total cpu time spent up to now is 156.3 secs Computing kpt #: 391 total cpu time spent up to now is 156.6 secs Computing kpt #: 392 total cpu time spent up to now is 157.0 secs Computing kpt #: 393 total cpu time spent up to now is 157.3 secs Computing kpt #: 394 total cpu time spent up to now is 157.7 secs Computing kpt #: 395 total cpu time spent up to now is 158.2 secs Computing kpt #: 396 total cpu time spent up to now is 158.6 secs Computing kpt #: 397 total cpu time spent up to now is 159.0 secs Computing kpt #: 398 total cpu time spent up to now is 159.4 secs Computing kpt #: 399 total cpu time spent up to now is 159.9 secs Computing kpt #: 400 total cpu time spent up to now is 160.3 secs Computing kpt #: 401 total cpu time spent up to now is 160.7 secs Computing kpt #: 402 total cpu time spent up to now is 161.1 secs Computing kpt #: 403 total cpu time spent up to now is 161.6 secs Computing kpt #: 404 total cpu time spent up to now is 162.0 secs Computing kpt #: 405 total cpu time spent up to now is 162.4 secs Computing kpt #: 406 total cpu time spent up to now is 162.8 secs Computing kpt #: 407 total cpu time spent up to now is 163.2 secs Computing kpt #: 408 total cpu time spent up to now is 163.6 secs Computing kpt #: 409 total cpu time spent up to now is 164.0 secs Computing kpt #: 410 total cpu time spent up to now is 164.4 secs Computing kpt #: 411 total cpu time spent up to now is 164.8 secs Computing kpt #: 412 total cpu time spent up to now is 165.2 secs Computing kpt #: 413 total cpu time spent up to now is 165.6 secs Computing kpt #: 414 total cpu time spent up to now is 166.0 secs Computing kpt #: 415 total cpu time spent up to now is 166.4 secs ethr = 2.63E-08, avg # of iterations = 15.4 total cpu time spent up to now is 166.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3093 PWs) bands (ev): -81.2426 -81.2426 -46.8993 -46.8993 -45.1907 -45.1907 -45.1273 -45.1273 -40.4341 -40.4341 -12.4958 -12.4958 -12.2847 -12.2847 -12.2044 -12.2044 -8.9915 -8.9915 -7.1593 -7.1593 4.1894 4.1894 5.5930 5.5930 5.6096 5.6096 8.4055 8.4055 8.7102 8.7102 8.7436 8.7436 9.6873 9.6873 9.6985 9.6985 10.6804 10.6804 12.8476 12.8476 12.8877 12.8877 14.7591 14.7591 19.0597 19.0597 k = 0.0078-0.0132-0.0080 ( 3095 PWs) bands (ev): -81.2427 -81.2427 -46.8994 -46.8994 -45.1908 -45.1908 -45.1273 -45.1273 -40.4341 -40.4341 -12.4957 -12.4957 -12.2848 -12.2848 -12.2046 -12.2046 -8.9908 -8.9908 -7.1593 -7.1593 4.1904 4.1904 5.5925 5.5925 5.6092 5.6092 8.4063 8.4063 8.7059 8.7059 8.7392 8.7392 9.6894 9.6894 9.7004 9.7004 10.6812 10.6812 12.8462 12.8462 12.8863 12.8863 14.7619 14.7619 19.0626 19.0626 k = 0.0156-0.0264-0.0160 ( 3098 PWs) bands (ev): -81.2428 -81.2428 -46.8994 -46.8994 -45.1909 -45.1909 -45.1274 -45.1274 -40.4341 -40.4341 -12.4956 -12.4956 -12.2851 -12.2851 -12.2050 -12.2050 -8.9885 -8.9885 -7.1595 -7.1595 4.1934 4.1934 5.5910 5.5910 5.6086 5.6086 8.4087 8.4087 8.6925 8.6925 8.7271 8.7271 9.6966 9.6966 9.7072 9.7072 10.6816 10.6816 12.8424 12.8424 12.8829 12.8829 14.7703 14.7703 19.0711 19.0711 k = 0.0234-0.0395-0.0240 ( 3099 PWs) bands (ev): -81.2428 -81.2428 -46.8995 -46.8995 -45.1910 -45.1910 -45.1274 -45.1274 -40.4339 -40.4339 -12.4954 -12.4954 -12.2856 -12.2856 -12.2057 -12.2057 -8.9847 -8.9847 -7.1599 -7.1599 4.1985 4.1985 5.5877 5.5877 5.6086 5.6086 8.4125 8.4125 8.6687 8.6687 8.7094 8.7094 9.7082 9.7082 9.7185 9.7185 10.6828 10.6828 12.8360 12.8360 12.8780 12.8780 14.7844 14.7844 19.0853 19.0853 k = 0.0312-0.0527-0.0320 ( 3099 PWs) bands (ev): -81.2428 -81.2428 -46.8996 -46.8996 -45.1912 -45.1912 -45.1274 -45.1274 -40.4338 -40.4338 -12.4951 -12.4951 -12.2863 -12.2863 -12.2067 -12.2067 -8.9795 -8.9795 -7.1603 -7.1603 4.2055 4.2055 5.5819 5.5819 5.6098 5.6098 8.4176 8.4176 8.6341 8.6341 8.6880 8.6880 9.7233 9.7233 9.7342 9.7342 10.6845 10.6845 12.8264 12.8264 12.8721 12.8721 14.8040 14.8040 19.1050 19.1050 k = 0.0391-0.0659-0.0399 ( 3099 PWs) bands (ev): -81.2428 -81.2428 -46.8997 -46.8997 -45.1914 -45.1914 -45.1275 -45.1275 -40.4336 -40.4336 -12.4947 -12.4947 -12.2872 -12.2872 -12.2079 -12.2079 -8.9727 -8.9727 -7.1609 -7.1609 4.2146 4.2146 5.5738 5.5738 5.6123 5.6123 8.4235 8.4235 8.5901 8.5901 8.6633 8.6633 9.7403 9.7403 9.7537 9.7537 10.6868 10.6868 12.8131 12.8131 12.8658 12.8658 14.8291 14.8291 19.1299 19.1299 k = 0.0469-0.0791-0.0479 ( 3102 PWs) bands (ev): -81.2428 -81.2428 -46.8999 -46.8999 -45.1917 -45.1917 -45.1275 -45.1275 -40.4333 -40.4333 -12.4943 -12.4943 -12.2883 -12.2883 -12.2094 -12.2094 -8.9645 -8.9645 -7.1617 -7.1617 4.2256 4.2256 5.5634 5.5634 5.6159 5.6159 8.4292 8.4292 8.5389 8.5389 8.6356 8.6356 9.7581 9.7581 9.7763 9.7763 10.6895 10.6895 12.7959 12.7959 12.8593 12.8593 14.8595 14.8595 19.1600 19.1600 k = 0.0547-0.0922-0.0559 ( 3094 PWs) bands (ev): -81.2425 -81.2425 -46.9000 -46.9000 -45.1920 -45.1920 -45.1275 -45.1275 -40.4331 -40.4331 -12.4938 -12.4938 -12.2895 -12.2895 -12.2110 -12.2110 -8.9548 -8.9548 -7.1625 -7.1625 4.2387 4.2387 5.5513 5.5513 5.6205 5.6205 8.4282 8.4282 8.4883 8.4883 8.6052 8.6052 9.7775 9.7775 9.8029 9.8029 10.6937 10.6937 12.7757 12.7757 12.8529 12.8529 14.8951 14.8951 19.1949 19.1949 k = 0.0625-0.1054-0.0639 ( 3098 PWs) bands (ev): -81.2426 -81.2426 -46.9003 -46.9003 -45.1924 -45.1924 -45.1276 -45.1276 -40.4327 -40.4327 -12.4932 -12.4932 -12.2911 -12.2911 -12.2129 -12.2129 -8.9437 -8.9437 -7.1635 -7.1635 4.2536 4.2536 5.5372 5.5372 5.6257 5.6257 8.3911 8.3911 8.4682 8.4682 8.5725 8.5725 9.7960 9.7960 9.8312 9.8312 10.6971 10.6971 12.7508 12.7508 12.8456 12.8456 14.9358 14.9358 19.2344 19.2344 k = 0.0703-0.1186-0.0719 ( 3096 PWs) bands (ev): -81.2424 -81.2424 -46.9005 -46.9005 -45.1928 -45.1928 -45.1276 -45.1276 -40.4324 -40.4324 -12.4926 -12.4926 -12.2928 -12.2928 -12.2150 -12.2150 -8.9312 -8.9312 -7.1646 -7.1646 4.2704 4.2704 5.5216 5.5216 5.6319 5.6319 8.3243 8.3243 8.4726 8.4726 8.5383 8.5383 9.8147 9.8147 9.8612 9.8612 10.7012 10.7012 12.7234 12.7234 12.8388 12.8388 14.9814 14.9814 19.2781 19.2781 k = 0.0781-0.1318-0.0799 ( 3093 PWs) bands (ev): -81.2422 -81.2422 -46.9007 -46.9007 -45.1933 -45.1933 -45.1277 -45.1277 -40.4320 -40.4320 -12.4920 -12.4920 -12.2947 -12.2947 -12.2172 -12.2172 -8.9173 -8.9173 -7.1658 -7.1658 4.2891 4.2891 5.5048 5.5048 5.6387 5.6387 8.2484 8.2484 8.4778 8.4778 8.5067 8.5067 9.8335 9.8335 9.8923 9.8923 10.7056 10.7056 12.6935 12.6935 12.8312 12.8312 15.0316 15.0316 19.3258 19.3258 k = 0.0859-0.1449-0.0879 ( 3091 PWs) bands (ev): -81.2421 -81.2421 -46.9010 -46.9010 -45.1938 -45.1938 -45.1277 -45.1277 -40.4315 -40.4315 -12.4913 -12.4913 -12.2968 -12.2968 -12.2195 -12.2195 -8.9020 -8.9020 -7.1671 -7.1671 4.3096 4.3096 5.4867 5.4867 5.6461 5.6461 8.1674 8.1674 8.4564 8.4564 8.5017 8.5017 9.8511 9.8511 9.9244 9.9244 10.7105 10.7105 12.6607 12.6607 12.8233 12.8233 15.0863 15.0863 19.3769 19.3769 k = 0.0938-0.1581-0.0959 ( 3082 PWs) bands (ev): -81.2417 -81.2417 -46.9012 -46.9012 -45.1943 -45.1943 -45.1277 -45.1277 -40.4310 -40.4310 -12.4906 -12.4906 -12.2992 -12.2992 -12.2220 -12.2220 -8.8854 -8.8854 -7.1685 -7.1685 4.3319 4.3319 5.4675 5.4675 5.6544 5.6544 8.0824 8.0824 8.4193 8.4193 8.5122 8.5122 9.8685 9.8685 9.9574 9.9574 10.7159 10.7159 12.6263 12.6263 12.8157 12.8157 15.1451 15.1451 19.4311 19.4311 k = 0.1016-0.1713-0.1038 ( 3083 PWs) bands (ev): -81.2416 -81.2416 -46.9015 -46.9015 -45.1949 -45.1949 -45.1278 -45.1278 -40.4305 -40.4305 -12.4899 -12.4899 -12.3018 -12.3018 -12.2245 -12.2245 -8.8675 -8.8675 -7.1700 -7.1700 4.3558 4.3558 5.4474 5.4474 5.6631 5.6631 7.9939 7.9939 8.3798 8.3798 8.5244 8.5244 9.8839 9.8839 9.9897 9.9897 10.7212 10.7212 12.5894 12.5894 12.8066 12.8066 15.2079 15.2079 19.4880 19.4880 k = 0.1094-0.1845-0.1118 ( 3087 PWs) bands (ev): -81.2416 -81.2416 -46.9019 -46.9019 -45.1956 -45.1956 -45.1279 -45.1279 -40.4299 -40.4299 -12.4893 -12.4893 -12.3046 -12.3046 -12.2271 -12.2271 -8.8484 -8.8484 -7.1716 -7.1716 4.3815 4.3815 5.4264 5.4264 5.6721 5.6721 7.9026 7.9026 8.3393 8.3393 8.5369 8.5369 9.8979 9.8979 10.0220 10.0220 10.7261 10.7261 12.5511 12.5511 12.7967 12.7967 15.2743 15.2743 19.5472 19.5472 k = 0.1172-0.1976-0.1198 ( 3086 PWs) bands (ev): -81.2415 -81.2415 -46.9023 -46.9023 -45.1963 -45.1963 -45.1280 -45.1280 -40.4293 -40.4293 -12.4887 -12.4887 -12.3075 -12.3075 -12.2297 -12.2297 -8.8280 -8.8280 -7.1733 -7.1733 4.4086 4.4086 5.4050 5.4050 5.6820 5.6820 7.8089 7.8089 8.2984 8.2984 8.5492 8.5492 9.9111 9.9111 10.0541 10.0541 10.7314 10.7314 12.5120 12.5120 12.7875 12.7875 15.3441 15.3441 19.6081 19.6081 k = 0.1250-0.2108-0.1278 ( 3084 PWs) bands (ev): -81.2413 -81.2413 -46.9026 -46.9026 -45.1970 -45.1970 -45.1281 -45.1281 -40.4287 -40.4287 -12.4882 -12.4882 -12.3107 -12.3107 -12.2322 -12.2322 -8.8065 -8.8065 -7.1751 -7.1751 4.4373 4.4373 5.3831 5.3831 5.6925 5.6925 7.7133 7.7133 8.2573 8.2573 8.5608 8.5608 9.9232 9.9232 10.0860 10.0860 10.7369 10.7369 12.4719 12.4719 12.7785 12.7785 15.4171 15.4171 19.6704 19.6704 k = 0.1328-0.2240-0.1358 ( 3082 PWs) bands (ev): -81.2411 -81.2411 -46.9030 -46.9030 -45.1978 -45.1978 -45.1281 -45.1281 -40.4281 -40.4281 -12.4878 -12.4878 -12.3140 -12.3140 -12.2348 -12.2348 -8.7838 -8.7838 -7.1769 -7.1769 4.4674 4.4674 5.3611 5.3611 5.7034 5.7034 7.6161 7.6161 8.2160 8.2160 8.5716 8.5716 9.9341 9.9341 10.1168 10.1168 10.7425 10.7425 12.4318 12.4318 12.7692 12.7692 15.4930 15.4930 19.7335 19.7335 k = 0.1406-0.2372-0.1438 ( 3074 PWs) bands (ev): -81.2407 -81.2407 -46.9034 -46.9034 -45.1985 -45.1985 -45.1282 -45.1282 -40.4274 -40.4274 -12.4875 -12.4875 -12.3174 -12.3174 -12.2373 -12.2373 -8.7600 -8.7600 -7.1788 -7.1788 4.4987 4.4987 5.3390 5.3390 5.7147 5.7147 7.5175 7.5175 8.1751 8.1751 8.5812 8.5812 9.9447 9.9447 10.1484 10.1484 10.7478 10.7478 12.3915 12.3915 12.7600 12.7600 15.5716 15.5716 19.7970 19.7970 k = 0.1484-0.2503-0.1518 ( 3068 PWs) bands (ev): -81.2403 -81.2403 -46.9038 -46.9038 -45.1993 -45.1993 -45.1282 -45.1282 -40.4267 -40.4267 -12.4874 -12.4874 -12.3209 -12.3209 -12.2398 -12.2398 -8.7352 -8.7352 -7.1808 -7.1808 4.5313 4.5313 5.3169 5.3169 5.7267 5.7267 7.4181 7.4181 8.1343 8.1343 8.5893 8.5893 9.9542 9.9542 10.1774 10.1774 10.7535 10.7535 12.3514 12.3514 12.7514 12.7514 15.6525 15.6525 19.8603 19.8603 k = 0.1562-0.2635-0.1598 ( 3063 PWs) bands (ev): -81.2400 -81.2400 -46.9042 -46.9042 -45.2002 -45.2002 -45.1283 -45.1283 -40.4259 -40.4259 -12.4875 -12.4875 -12.3244 -12.3244 -12.2422 -12.2422 -8.7093 -8.7093 -7.1828 -7.1828 4.5648 4.5648 5.2951 5.2951 5.7388 5.7388 7.3180 7.3180 8.0938 8.0938 8.5958 8.5958 9.9628 9.9628 10.2054 10.2054 10.7586 10.7586 12.3120 12.3120 12.7425 12.7425 15.7357 15.7357 19.9231 19.9231 k = 0.1641-0.2767-0.1678 ( 3065 PWs) bands (ev): -81.2399 -81.2399 -46.9047 -46.9047 -45.2011 -45.2011 -45.1284 -45.1284 -40.4251 -40.4251 -12.4879 -12.4879 -12.3280 -12.3280 -12.2445 -12.2445 -8.6826 -8.6826 -7.1849 -7.1849 4.5992 4.5992 5.2736 5.2736 5.7514 5.7514 7.2174 7.2174 8.0537 8.0537 8.6003 8.6003 9.9695 9.9695 10.2316 10.2316 10.7633 10.7633 12.2726 12.2726 12.7338 12.7338 15.8208 15.8208 19.9847 19.9847 k = 0.1719-0.2899-0.1757 ( 3063 PWs) bands (ev): -81.2397 -81.2397 -46.9052 -46.9052 -45.2020 -45.2020 -45.1285 -45.1285 -40.4243 -40.4243 -12.4885 -12.4885 -12.3315 -12.3315 -12.2468 -12.2468 -8.6549 -8.6549 -7.1870 -7.1870 4.6341 4.6341 5.2531 5.2531 5.7642 5.7642 7.1167 7.1167 8.0142 8.0142 8.6027 8.6027 9.9751 9.9751 10.2566 10.2566 10.7680 10.7680 12.2358 12.2358 12.7255 12.7255 15.9078 15.9078 20.0448 20.0448 k = 0.1797-0.3030-0.1837 ( 3061 PWs) bands (ev): -81.2395 -81.2395 -46.9057 -46.9057 -45.2030 -45.2030 -45.1286 -45.1286 -40.4235 -40.4235 -12.4894 -12.4894 -12.3349 -12.3349 -12.2489 -12.2489 -8.6264 -8.6264 -7.1892 -7.1892 4.6693 4.6693 5.2335 5.2335 5.7772 5.7772 7.0162 7.0162 7.9754 7.9754 8.6026 8.6026 9.9801 9.9801 10.2800 10.2800 10.7725 10.7725 12.2001 12.2001 12.7177 12.7177 15.9963 15.9963 20.1029 20.1029 k = 0.1875-0.3162-0.1917 ( 3065 PWs) bands (ev): -81.2395 -81.2395 -46.9062 -46.9062 -45.2040 -45.2040 -45.1287 -45.1287 -40.4227 -40.4227 -12.4907 -12.4907 -12.3382 -12.3382 -12.2510 -12.2510 -8.5970 -8.5970 -7.1914 -7.1914 4.7044 4.7044 5.2151 5.2151 5.7905 5.7905 6.9161 6.9161 7.9373 7.9373 8.5999 8.5999 9.9837 9.9837 10.3013 10.3013 10.7762 10.7762 12.1656 12.1656 12.7102 12.7102 16.0862 16.0862 20.1585 20.1585 k = 0.1953-0.3294-0.1997 ( 3064 PWs) bands (ev): -81.2393 -81.2393 -46.9067 -46.9067 -45.2050 -45.2050 -45.1288 -45.1288 -40.4219 -40.4219 -12.4923 -12.4923 -12.3412 -12.3412 -12.2530 -12.2530 -8.5670 -8.5670 -7.1937 -7.1937 4.7389 4.7389 5.1986 5.1986 5.8041 5.8041 6.8169 6.8169 7.9000 7.9000 8.5944 8.5944 9.9868 9.9868 10.3217 10.3217 10.7795 10.7795 12.1340 12.1340 12.7036 12.7036 16.1775 16.1775 20.2112 20.2112 k = 0.2031-0.3426-0.2077 ( 3066 PWs) bands (ev): -81.2392 -81.2392 -46.9073 -46.9073 -45.2061 -45.2061 -45.1289 -45.1289 -40.4210 -40.4210 -12.4944 -12.4944 -12.3441 -12.3441 -12.2549 -12.2549 -8.5363 -8.5363 -7.1960 -7.1960 4.7721 4.7721 5.1843 5.1843 5.8175 5.8175 6.7187 6.7187 7.8637 7.8637 8.5860 8.5860 9.9891 9.9891 10.3402 10.3402 10.7826 10.7826 12.1041 12.1041 12.6971 12.6971 16.2698 16.2698 20.2607 20.2607 k = 0.2109-0.3557-0.2157 ( 3064 PWs) bands (ev): -81.2390 -81.2390 -46.9079 -46.9079 -45.2071 -45.2071 -45.1289 -45.1289 -40.4201 -40.4201 -12.4969 -12.4969 -12.3466 -12.3466 -12.2566 -12.2566 -8.5049 -8.5049 -7.1983 -7.1983 4.8029 4.8029 5.1734 5.1734 5.8312 5.8312 6.6220 6.6220 7.8283 7.8283 8.5745 8.5745 9.9908 9.9908 10.3566 10.3566 10.7853 10.7853 12.0779 12.0779 12.6920 12.6920 16.3632 16.3632 20.3066 20.3066 k = 0.2188-0.3689-0.2237 ( 3064 PWs) bands (ev): -81.2389 -81.2389 -46.9084 -46.9084 -45.2082 -45.2082 -45.1290 -45.1290 -40.4192 -40.4192 -12.4999 -12.4999 -12.3489 -12.3489 -12.2583 -12.2583 -8.4730 -8.4730 -7.2007 -7.2007 4.8303 4.8303 5.1667 5.1667 5.8448 5.8448 6.5271 6.5271 7.7940 7.7940 8.5599 8.5599 9.9919 9.9919 10.3715 10.3715 10.7871 10.7871 12.0540 12.0540 12.6872 12.6872 16.4574 16.4574 20.3486 20.3486 k = 0.2266-0.3821-0.2317 ( 3058 PWs) bands (ev): -81.2385 -81.2385 -46.9089 -46.9089 -45.2092 -45.2092 -45.1291 -45.1291 -40.4183 -40.4183 -12.5032 -12.5032 -12.3509 -12.3509 -12.2599 -12.2599 -8.4406 -8.4406 -7.2032 -7.2032 4.8527 4.8527 5.1654 5.1654 5.8585 5.8585 6.4345 6.4345 7.7609 7.7609 8.5421 8.5421 9.9928 9.9928 10.3850 10.3850 10.7888 10.7888 12.0336 12.0336 12.6838 12.6838 16.5524 16.5524 20.3865 20.3865 k = 0.2344-0.3953-0.2396 ( 3060 PWs) bands (ev): -81.2384 -81.2384 -46.9095 -46.9095 -45.2104 -45.2104 -45.1292 -45.1292 -40.4174 -40.4174 -12.5070 -12.5070 -12.3525 -12.3525 -12.2613 -12.2613 -8.4077 -8.4077 -7.2057 -7.2057 4.8688 4.8688 5.1704 5.1704 5.8718 5.8718 6.3445 6.3445 7.7288 7.7288 8.5210 8.5210 9.9927 9.9927 10.3961 10.3961 10.7890 10.7890 12.0158 12.0158 12.6803 12.6803 16.6480 16.6480 20.4201 20.4201 k = 0.2422-0.4084-0.2476 ( 3060 PWs) bands (ev): -81.2382 -81.2382 -46.9101 -46.9101 -45.2115 -45.2115 -45.1292 -45.1292 -40.4165 -40.4165 -12.5112 -12.5112 -12.3538 -12.3538 -12.2627 -12.2627 -8.3745 -8.3745 -7.2082 -7.2082 4.8779 4.8779 5.1821 5.1821 5.8851 5.8851 6.2579 6.2579 7.6980 7.6980 8.4967 8.4967 9.9920 9.9920 10.4051 10.4051 10.7888 10.7888 12.0014 12.0014 12.6782 12.6782 16.7442 16.7442 20.4493 20.4493 k = 0.2500-0.4216-0.2556 ( 3060 PWs) bands (ev): -81.2380 -81.2380 -46.9107 -46.9107 -45.2126 -45.2126 -45.1293 -45.1293 -40.4156 -40.4156 -12.5158 -12.5158 -12.3549 -12.3549 -12.2639 -12.2639 -8.3410 -8.3410 -7.2108 -7.2108 4.8801 4.8801 5.1998 5.1998 5.8981 5.8981 6.1752 6.1752 7.6686 7.6686 8.4693 8.4693 9.9908 9.9908 10.4129 10.4129 10.7877 10.7877 11.9902 11.9902 12.6767 12.6767 16.8408 16.8408 20.4740 20.4740 k = 0.2578-0.4348-0.2636 ( 3061 PWs) bands (ev): -81.2379 -81.2379 -46.9112 -46.9112 -45.2137 -45.2137 -45.1294 -45.1294 -40.4147 -40.4147 -12.5207 -12.5207 -12.3557 -12.3557 -12.2651 -12.2651 -8.3072 -8.3072 -7.2135 -7.2135 4.8763 4.8763 5.2216 5.2216 5.9106 5.9106 6.0975 6.0975 7.6404 7.6404 8.4388 8.4388 9.9891 9.9891 10.4185 10.4185 10.7855 10.7855 11.9825 11.9825 12.6756 12.6756 16.9378 16.9378 20.4942 20.4942 k = 0.2656-0.4480-0.2716 ( 3059 PWs) bands (ev): -81.2377 -81.2377 -46.9118 -46.9118 -45.2148 -45.2148 -45.1294 -45.1294 -40.4138 -40.4138 -12.5259 -12.5259 -12.3563 -12.3563 -12.2661 -12.2661 -8.2732 -8.2732 -7.2162 -7.2162 4.8677 4.8677 5.2455 5.2455 5.9230 5.9230 6.0259 6.0259 7.6137 7.6137 8.4055 8.4055 9.9869 9.9869 10.4233 10.4233 10.7830 10.7830 11.9778 11.9778 12.6757 12.6757 17.0351 17.0351 20.5098 20.5098 k = 0.2734-0.4611-0.2796 ( 3057 PWs) bands (ev): -81.2374 -81.2374 -46.9123 -46.9123 -45.2159 -45.2159 -45.1295 -45.1295 -40.4129 -40.4129 -12.5313 -12.5313 -12.3566 -12.3566 -12.2670 -12.2670 -8.2391 -8.2391 -7.2191 -7.2191 4.8551 4.8551 5.2690 5.2690 5.9346 5.9346 5.9621 5.9621 7.5884 7.5884 8.3694 8.3694 9.9840 9.9840 10.4263 10.4263 10.7795 10.7795 11.9763 11.9763 12.6767 12.6767 17.1326 17.1326 20.5210 20.5210 k = 0.2812-0.4743-0.2876 ( 3056 PWs) bands (ev): -81.2372 -81.2372 -46.9129 -46.9129 -45.2169 -45.2169 -45.1296 -45.1296 -40.4120 -40.4120 -12.5370 -12.5370 -12.3568 -12.3568 -12.2677 -12.2677 -8.2049 -8.2049 -7.2220 -7.2220 4.8391 4.8391 5.2898 5.2898 5.9065 5.9065 5.9471 5.9471 7.5645 7.5645 8.3307 8.3307 9.9807 9.9807 10.4278 10.4278 10.7750 10.7750 11.9775 11.9775 12.6784 12.6784 17.2302 17.2302 20.5279 20.5279 k = 0.2891-0.4875-0.2956 ( 3054 PWs) bands (ev): -81.2370 -81.2370 -46.9134 -46.9134 -45.2180 -45.2180 -45.1296 -45.1296 -40.4111 -40.4111 -12.5428 -12.5428 -12.3569 -12.3569 -12.2683 -12.2683 -8.1708 -8.1708 -7.2250 -7.2250 4.8201 4.8201 5.3055 5.3055 5.8634 5.8634 5.9580 5.9580 7.5420 7.5420 8.2897 8.2897 9.9771 9.9771 10.4275 10.4275 10.7700 10.7700 11.9817 11.9817 12.6809 12.6809 17.3279 17.3279 20.5308 20.5308 k = 0.2969-0.5007-0.3036 ( 3059 PWs) bands (ev): -81.2370 -81.2370 -46.9141 -46.9141 -45.2191 -45.2191 -45.1297 -45.1297 -40.4102 -40.4102 -12.5488 -12.5488 -12.3569 -12.3569 -12.2688 -12.2688 -8.1367 -8.1367 -7.2282 -7.2282 4.7980 4.7980 5.3141 5.3141 5.8337 5.8337 5.9684 5.9684 7.5209 7.5209 8.2467 8.2467 9.9726 9.9726 10.4254 10.4254 10.7633 10.7633 11.9881 11.9881 12.6837 12.6837 17.4256 17.4256 20.5297 20.5297 k = 0.3047-0.5138-0.3115 ( 3057 PWs) bands (ev): -81.2368 -81.2368 -46.9146 -46.9146 -45.2202 -45.2202 -45.1297 -45.1297 -40.4093 -40.4093 -12.5548 -12.5548 -12.3568 -12.3568 -12.2692 -12.2692 -8.1027 -8.1027 -7.2314 -7.2314 4.7730 4.7730 5.3145 5.3145 5.8184 5.8184 5.9786 5.9786 7.5014 7.5014 8.2019 8.2019 9.9677 9.9677 10.4221 10.4221 10.7568 10.7568 11.9976 11.9976 12.6879 12.6879 17.5233 17.5233 20.5249 20.5249 k = 0.3125-0.5270-0.3195 ( 3056 PWs) bands (ev): -81.2366 -81.2366 -46.9151 -46.9151 -45.2212 -45.2212 -45.1298 -45.1298 -40.4085 -40.4085 -12.5608 -12.5608 -12.3566 -12.3566 -12.2695 -12.2695 -8.0690 -8.0690 -7.2349 -7.2349 4.7449 4.7449 5.3074 5.3074 5.8171 5.8171 5.9880 5.9880 7.4833 7.4833 8.1555 8.1555 9.9623 9.9623 10.4176 10.4176 10.7502 10.7502 12.0089 12.0089 12.6921 12.6921 17.6209 17.6209 20.5168 20.5168 k = 0.3203-0.5402-0.3275 ( 3058 PWs) bands (ev): -81.2365 -81.2365 -46.9157 -46.9157 -45.2222 -45.2222 -45.1298 -45.1298 -40.4077 -40.4077 -12.5669 -12.5669 -12.3564 -12.3564 -12.2696 -12.2696 -8.0355 -8.0355 -7.2385 -7.2385 4.7136 4.7136 5.2949 5.2949 5.8275 5.8275 5.9966 5.9966 7.4668 7.4668 8.1080 8.1080 9.9565 9.9565 10.4121 10.4121 10.7422 10.7422 12.0224 12.0224 12.6964 12.6964 17.7183 17.7183 20.5055 20.5055 k = 0.3281-0.5534-0.3355 ( 3060 PWs) bands (ev): -81.2364 -81.2364 -46.9162 -46.9162 -45.2232 -45.2232 -45.1299 -45.1299 -40.4068 -40.4068 -12.5729 -12.5729 -12.3562 -12.3562 -12.2696 -12.2696 -8.0023 -8.0023 -7.2423 -7.2423 4.6791 4.6791 5.2796 5.2796 5.8469 5.8469 6.0045 6.0045 7.4517 7.4517 8.0595 8.0595 9.9500 9.9500 10.4061 10.4061 10.7338 10.7338 12.0378 12.0378 12.7008 12.7008 17.8154 17.8154 20.4914 20.4914 k = 0.3359-0.5665-0.3435 ( 3056 PWs) bands (ev): -81.2361 -81.2361 -46.9166 -46.9166 -45.2242 -45.2242 -45.1299 -45.1299 -40.4061 -40.4061 -12.5788 -12.5788 -12.3560 -12.3560 -12.2695 -12.2695 -7.9695 -7.9695 -7.2463 -7.2463 4.6419 4.6419 5.2640 5.2640 5.8727 5.8727 6.0119 6.0119 7.4381 7.4381 8.0104 8.0104 9.9438 9.9438 10.3995 10.3995 10.7248 10.7248 12.0556 12.0556 12.7061 12.7061 17.9124 17.9124 20.4748 20.4748 k = 0.3438-0.5797-0.3515 ( 3054 PWs) bands (ev): -81.2359 -81.2359 -46.9171 -46.9171 -45.2251 -45.2251 -45.1300 -45.1300 -40.4053 -40.4053 -12.5847 -12.5847 -12.3559 -12.3559 -12.2693 -12.2693 -7.9371 -7.9371 -7.2505 -7.2505 4.6022 4.6022 5.2496 5.2496 5.9026 5.9026 6.0186 6.0186 7.4258 7.4258 7.9611 7.9611 9.9369 9.9369 10.3922 10.3922 10.7158 10.7158 12.0736 12.0736 12.7117 12.7117 18.0089 18.0089 20.4560 20.4560 k = 0.3516-0.5929-0.3595 ( 3058 PWs) bands (ev): -81.2359 -81.2359 -46.9176 -46.9176 -45.2260 -45.2260 -45.1300 -45.1300 -40.4045 -40.4045 -12.5904 -12.5904 -12.3557 -12.3557 -12.2690 -12.2690 -7.9053 -7.9053 -7.2550 -7.2550 4.5606 4.5606 5.2374 5.2374 5.9349 5.9349 6.0248 6.0248 7.4148 7.4148 7.9118 7.9118 9.9288 9.9288 10.3834 10.3834 10.7065 10.7065 12.0920 12.0920 12.7174 12.7174 18.1050 18.1050 20.4352 20.4352 k = 0.3594-0.6061-0.3675 ( 3059 PWs) bands (ev): -81.2358 -81.2358 -46.9181 -46.9181 -45.2269 -45.2269 -45.1301 -45.1301 -40.4038 -40.4038 -12.5960 -12.5960 -12.3556 -12.3556 -12.2686 -12.2686 -7.8740 -7.8740 -7.2598 -7.2598 4.5178 4.5178 5.2279 5.2279 5.9685 5.9685 6.0303 6.0303 7.4051 7.4051 7.8628 7.8628 9.9215 9.9215 10.3742 10.3742 10.6973 10.6973 12.1106 12.1106 12.7233 12.7233 18.2006 18.2006 20.4127 20.4127 k = 0.3672-0.6192-0.3754 ( 3059 PWs) bands (ev): -81.2357 -81.2357 -46.9185 -46.9185 -45.2278 -45.2278 -45.1301 -45.1301 -40.4031 -40.4031 -12.6013 -12.6013 -12.3556 -12.3556 -12.2681 -12.2681 -7.8433 -7.8433 -7.2649 -7.2649 4.4743 4.4743 5.2212 5.2212 6.0024 6.0024 6.0354 6.0354 7.3966 7.3966 7.8146 7.8146 9.9134 9.9134 10.3652 10.3652 10.6878 10.6878 12.1304 12.1304 12.7296 12.7296 18.2957 18.2957 20.3888 20.3888 k = 0.3750-0.6324-0.3834 ( 3060 PWs) bands (ev): -81.2356 -81.2356 -46.9190 -46.9190 -45.2286 -45.2286 -45.1301 -45.1301 -40.4025 -40.4025 -12.6065 -12.6065 -12.3555 -12.3555 -12.2676 -12.2676 -7.8132 -7.8132 -7.2703 -7.2703 4.4308 4.4308 5.2170 5.2170 6.0331 6.0331 6.0428 6.0428 7.3892 7.3892 7.7674 7.7674 9.9047 9.9047 10.3559 10.3559 10.6785 10.6785 12.1506 12.1506 12.7356 12.7356 18.3901 18.3901 20.3636 20.3636 k = 0.3828-0.6456-0.3914 ( 3064 PWs) bands (ev): -81.2356 -81.2356 -46.9194 -46.9194 -45.2294 -45.2294 -45.1302 -45.1302 -40.4018 -40.4018 -12.6115 -12.6115 -12.3555 -12.3555 -12.2670 -12.2670 -7.7838 -7.7838 -7.2760 -7.2760 4.3878 4.3878 5.2152 5.2152 6.0418 6.0418 6.0707 6.0707 7.3829 7.3829 7.7215 7.7215 9.8960 9.8960 10.3459 10.3459 10.6691 10.6691 12.1702 12.1702 12.7415 12.7415 18.4838 18.4838 20.3373 20.3373 k = 0.3906-0.6588-0.3994 ( 3068 PWs) bands (ev): -81.2357 -81.2357 -46.9199 -46.9199 -45.2302 -45.2302 -45.1303 -45.1303 -40.4012 -40.4012 -12.6162 -12.6162 -12.3556 -12.3556 -12.2664 -12.2664 -7.7553 -7.7553 -7.2822 -7.2822 4.3460 4.3460 5.2155 5.2155 6.0453 6.0453 6.1021 6.1021 7.3775 7.3775 7.6774 7.6774 9.8871 9.8871 10.3355 10.3355 10.6605 10.6605 12.1893 12.1893 12.7473 12.7473 18.5766 18.5766 20.3101 20.3101 k = 0.3984-0.6719-0.4074 ( 3072 PWs) bands (ev): -81.2357 -81.2357 -46.9203 -46.9203 -45.2309 -45.2309 -45.1303 -45.1303 -40.4007 -40.4007 -12.6207 -12.6207 -12.3556 -12.3556 -12.2658 -12.2658 -7.7275 -7.7275 -7.2887 -7.2887 4.3056 4.3056 5.2176 5.2176 6.0480 6.0480 6.1321 6.1321 7.3730 7.3730 7.6352 7.6352 9.8783 9.8783 10.3255 10.3255 10.6518 10.6518 12.2081 12.2081 12.7527 12.7527 18.6685 18.6685 20.2821 20.2821 k = 0.4062-0.6851-0.4154 ( 3077 PWs) bands (ev): -81.2358 -81.2358 -46.9207 -46.9207 -45.2316 -45.2316 -45.1304 -45.1304 -40.4002 -40.4002 -12.6249 -12.6249 -12.3557 -12.3557 -12.2652 -12.2652 -7.7005 -7.7005 -7.2957 -7.2957 4.2669 4.2669 5.2213 5.2213 6.0502 6.0502 6.1602 6.1602 7.3692 7.3692 7.5954 7.5954 9.8697 9.8697 10.3160 10.3160 10.6425 10.6425 12.2269 12.2269 12.7578 12.7578 18.7592 18.7592 20.2532 20.2532 k = 0.4141-0.6983-0.4234 ( 3075 PWs) bands (ev): -81.2356 -81.2356 -46.9209 -46.9209 -45.2322 -45.2322 -45.1304 -45.1304 -40.3997 -40.3997 -12.6288 -12.6288 -12.3558 -12.3558 -12.2645 -12.2645 -7.6744 -7.6744 -7.3032 -7.3032 4.2305 4.2305 5.2262 5.2262 6.0521 6.0521 6.1863 6.1863 7.3661 7.3661 7.5582 7.5582 9.8613 9.8613 10.3073 10.3073 10.6348 10.6348 12.2455 12.2455 12.7633 12.7633 18.8487 18.8487 20.2236 20.2236 k = 0.4219-0.7115-0.4314 ( 3075 PWs) bands (ev): -81.2355 -81.2355 -46.9212 -46.9212 -45.2327 -45.2327 -45.1304 -45.1304 -40.3992 -40.3992 -12.6325 -12.6325 -12.3559 -12.3559 -12.2639 -12.2639 -7.6493 -7.6493 -7.3111 -7.3111 4.1965 4.1965 5.2320 5.2320 6.0534 6.0534 6.2101 6.2101 7.3635 7.3635 7.5239 7.5239 9.8533 9.8533 10.2992 10.2992 10.6274 10.6274 12.2629 12.2629 12.7676 12.7676 18.9367 18.9367 20.1931 20.1931 k = 0.4297-0.7246-0.4394 ( 3072 PWs) bands (ev): -81.2353 -81.2353 -46.9215 -46.9215 -45.2332 -45.2332 -45.1304 -45.1304 -40.3988 -40.3988 -12.6357 -12.6357 -12.3560 -12.3560 -12.2633 -12.2633 -7.6251 -7.6251 -7.3195 -7.3195 4.1653 4.1653 5.2384 5.2384 6.0546 6.0546 6.2313 6.2313 7.3614 7.3614 7.4927 7.4927 9.8458 9.8458 10.2919 10.2919 10.6208 10.6208 12.2789 12.2789 12.7723 12.7723 19.0230 19.0230 20.1616 20.1616 k = 0.4375-0.7378-0.4473 ( 3071 PWs) bands (ev): -81.2352 -81.2352 -46.9217 -46.9217 -45.2336 -45.2336 -45.1304 -45.1304 -40.3984 -40.3984 -12.6387 -12.6387 -12.3561 -12.3561 -12.2627 -12.2627 -7.6020 -7.6020 -7.3283 -7.3283 4.1368 4.1368 5.2450 5.2450 6.0555 6.0555 6.2500 6.2500 7.3594 7.3594 7.4649 7.4649 9.8385 9.8385 10.2847 10.2847 10.6148 10.6148 12.2938 12.2938 12.7765 12.7765 19.1072 19.1072 20.1290 20.1290 k = 0.4453-0.7510-0.4553 ( 3071 PWs) bands (ev): -81.2352 -81.2352 -46.9219 -46.9219 -45.2340 -45.2340 -45.1305 -45.1305 -40.3981 -40.3981 -12.6414 -12.6414 -12.3563 -12.3563 -12.2622 -12.2622 -7.5800 -7.5800 -7.3376 -7.3376 4.1114 4.1114 5.2517 5.2517 6.0561 6.0561 6.2661 6.2661 7.3575 7.3575 7.4408 7.4408 9.8318 9.8318 10.2782 10.2782 10.6095 10.6095 12.3068 12.3068 12.7802 12.7802 19.1889 19.1889 20.0952 20.0952 k = 0.4531-0.7642-0.4633 ( 3073 PWs) bands (ev): -81.2352 -81.2352 -46.9221 -46.9221 -45.2344 -45.2344 -45.1305 -45.1305 -40.3978 -40.3978 -12.6437 -12.6437 -12.3564 -12.3564 -12.2617 -12.2617 -7.5591 -7.5591 -7.3474 -7.3474 4.0891 4.0891 5.2582 5.2582 6.0564 6.0564 6.2796 6.2796 7.3554 7.3554 7.4204 7.4204 9.8256 9.8256 10.2724 10.2724 10.6047 10.6047 12.3183 12.3183 12.7830 12.7830 19.2676 19.2676 20.0600 20.0600 k = 0.4609-0.7773-0.4713 ( 3074 PWs) bands (ev): -81.2352 -81.2352 -46.9223 -46.9223 -45.2347 -45.2347 -45.1305 -45.1305 -40.3976 -40.3976 -12.6456 -12.6456 -12.3565 -12.3565 -12.2613 -12.2613 -7.5396 -7.5396 -7.3574 -7.3574 4.0701 4.0701 5.2641 5.2641 6.0567 6.0567 6.2908 6.2908 7.3529 7.3529 7.4042 7.4042 9.8205 9.8205 10.2667 10.2667 10.6006 10.6006 12.3287 12.3287 12.7853 12.7853 19.3427 19.3427 20.0236 20.0236 k = 0.4688-0.7905-0.4793 ( 3073 PWs) bands (ev): -81.2351 -81.2351 -46.9224 -46.9224 -45.2349 -45.2349 -45.1305 -45.1305 -40.3974 -40.3974 -12.6473 -12.6473 -12.3566 -12.3566 -12.2610 -12.2610 -7.5216 -7.5216 -7.3676 -7.3676 4.0544 4.0544 5.2694 5.2694 6.0569 6.0569 6.2996 6.2996 7.3497 7.3497 7.3922 7.3922 9.8161 9.8161 10.2626 10.2626 10.5974 10.5974 12.3371 12.3371 12.7877 12.7877 19.4128 19.4128 19.9862 19.9862 k = 0.4766-0.8037-0.4873 ( 3066 PWs) bands (ev): -81.2348 -81.2348 -46.9224 -46.9224 -45.2350 -45.2350 -45.1305 -45.1305 -40.3972 -40.3972 -12.6485 -12.6485 -12.3566 -12.3566 -12.2607 -12.2607 -7.5056 -7.5056 -7.3775 -7.3775 4.0422 4.0422 5.2737 5.2737 6.0572 6.0572 6.3063 6.3063 7.3460 7.3460 7.3842 7.3842 9.8128 9.8128 10.2610 10.2610 10.5954 10.5954 12.3439 12.3439 12.7898 12.7898 19.4764 19.4764 19.9491 19.9491 k = 0.4844-0.8169-0.4953 ( 3064 PWs) bands (ev): -81.2347 -81.2347 -46.9225 -46.9225 -45.2351 -45.2351 -45.1305 -45.1305 -40.3971 -40.3971 -12.6494 -12.6494 -12.3567 -12.3567 -12.2605 -12.2605 -7.4923 -7.4923 -7.3865 -7.3865 4.0335 4.0335 5.2769 5.2769 6.0573 6.0573 6.3109 6.3109 7.3424 7.3424 7.3795 7.3795 9.8103 9.8103 10.2590 10.2590 10.5939 10.5939 12.3488 12.3488 12.7912 12.7912 19.5301 19.5301 19.9147 19.9147 k = 0.4922-0.8300-0.5033 ( 3062 PWs) bands (ev): -81.2346 -81.2346 -46.9225 -46.9225 -45.2352 -45.2352 -45.1305 -45.1305 -40.3970 -40.3970 -12.6499 -12.6499 -12.3567 -12.3567 -12.2604 -12.2604 -7.4831 -7.4831 -7.3931 -7.3931 4.0282 4.0282 5.2789 5.2789 6.0574 6.0574 6.3135 6.3135 7.3398 7.3398 7.3771 7.3771 9.8088 9.8088 10.2584 10.2584 10.5931 10.5931 12.3511 12.3511 12.7922 12.7922 19.5683 19.5683 19.8883 19.8883 k = 0.5000-0.8432-0.5112 ( 3066 PWs) bands (ev): -81.2347 -81.2347 -46.9225 -46.9225 -45.2353 -45.2353 -45.1305 -45.1305 -40.3970 -40.3970 -12.6501 -12.6501 -12.3567 -12.3567 -12.2604 -12.2604 -7.4797 -7.4797 -7.3956 -7.3956 4.0263 4.0263 5.2796 5.2796 6.0573 6.0573 6.3144 6.3144 7.3389 7.3389 7.3764 7.3764 9.8080 9.8080 10.2573 10.2573 10.5926 10.5926 12.3516 12.3516 12.7921 12.7921 19.5826 19.5826 19.8780 19.8780 k = 0.5000-0.8432-0.5112 ( 3066 PWs) bands (ev): -81.2347 -81.2347 -46.9225 -46.9225 -45.2353 -45.2353 -45.1305 -45.1305 -40.3970 -40.3970 -12.6501 -12.6501 -12.3567 -12.3567 -12.2604 -12.2604 -7.4797 -7.4797 -7.3956 -7.3956 4.0263 4.0263 5.2796 5.2796 6.0573 6.0573 6.3144 6.3144 7.3389 7.3389 7.3764 7.3764 9.8080 9.8080 10.2573 10.2573 10.5926 10.5926 12.3516 12.3516 12.7921 12.7921 19.5826 19.5826 19.8780 19.8780 k = 0.5000-0.8342-0.5261 ( 3064 PWs) bands (ev): -81.2347 -81.2347 -46.9225 -46.9225 -45.2352 -45.2352 -45.1305 -45.1305 -40.3970 -40.3970 -12.6500 -12.6500 -12.3568 -12.3568 -12.2604 -12.2604 -7.4795 -7.4795 -7.3955 -7.3955 4.0273 4.0273 5.2786 5.2786 6.0586 6.0586 6.3144 6.3144 7.3373 7.3373 7.3746 7.3746 9.8093 9.8093 10.2578 10.2578 10.5929 10.5929 12.3518 12.3518 12.7912 12.7912 19.5830 19.5830 19.8791 19.8791 k = 0.5000-0.8252-0.5410 ( 3064 PWs) bands (ev): -81.2347 -81.2347 -46.9225 -46.9225 -45.2353 -45.2353 -45.1305 -45.1305 -40.3970 -40.3970 -12.6497 -12.6497 -12.3571 -12.3571 -12.2606 -12.2606 -7.4791 -7.4791 -7.3950 -7.3950 4.0303 4.0303 5.2756 5.2756 6.0619 6.0619 6.3145 6.3145 7.3319 7.3319 7.3698 7.3698 9.8132 9.8132 10.2588 10.2588 10.5933 10.5933 12.3520 12.3520 12.7869 12.7869 19.5842 19.5842 19.8826 19.8826 k = 0.5000-0.8162-0.5558 ( 3058 PWs) bands (ev): -81.2344 -81.2344 -46.9225 -46.9225 -45.2352 -45.2352 -45.1305 -45.1305 -40.3969 -40.3969 -12.6492 -12.6492 -12.3575 -12.3575 -12.2609 -12.2609 -7.4784 -7.4784 -7.3942 -7.3942 4.0353 4.0353 5.2708 5.2708 6.0678 6.0678 6.3146 6.3146 7.3208 7.3208 7.3639 7.3639 9.8197 9.8197 10.2610 10.2610 10.5946 10.5946 12.3524 12.3524 12.7806 12.7806 19.5862 19.5862 19.8883 19.8883 k = 0.5000-0.8072-0.5707 ( 3064 PWs) bands (ev): -81.2347 -81.2347 -46.9226 -46.9226 -45.2353 -45.2353 -45.1306 -45.1306 -40.3969 -40.3969 -12.6486 -12.6486 -12.3582 -12.3582 -12.2613 -12.2613 -7.4774 -7.4774 -7.3931 -7.3931 4.0422 4.0422 5.2641 5.2641 6.0752 6.0752 6.3145 6.3145 7.3026 7.3026 7.3587 7.3587 9.8279 9.8279 10.2630 10.2630 10.5950 10.5950 12.3521 12.3521 12.7703 12.7703 19.5889 19.5889 19.8962 19.8962 k = 0.5000-0.7982-0.5855 ( 3064 PWs) bands (ev): -81.2347 -81.2347 -46.9226 -46.9226 -45.2354 -45.2354 -45.1306 -45.1306 -40.3968 -40.3968 -12.6478 -12.6478 -12.3591 -12.3591 -12.2618 -12.2618 -7.4762 -7.4762 -7.3918 -7.3918 4.0511 4.0511 5.2558 5.2558 6.0847 6.0847 6.3143 6.3143 7.2777 7.2777 7.3543 7.3543 9.8384 9.8384 10.2665 10.2665 10.5966 10.5966 12.3525 12.3525 12.7573 12.7573 19.5925 19.5925 19.9060 19.9060 k = 0.5000-0.7892-0.6004 ( 3066 PWs) bands (ev): -81.2347 -81.2347 -46.9227 -46.9227 -45.2355 -45.2355 -45.1307 -45.1307 -40.3967 -40.3967 -12.6468 -12.6468 -12.3602 -12.3602 -12.2624 -12.2624 -7.4747 -7.4747 -7.3901 -7.3901 4.0619 4.0619 5.2460 5.2460 6.0960 6.0960 6.3137 6.3137 7.2468 7.2468 7.3502 7.3502 9.8501 9.8501 10.2706 10.2706 10.5986 10.5986 12.3523 12.3523 12.7420 12.7420 19.5968 19.5968 19.9177 19.9177 k = 0.5000-0.7802-0.6153 ( 3068 PWs) bands (ev): -81.2348 -81.2348 -46.9228 -46.9228 -45.2355 -45.2355 -45.1307 -45.1307 -40.3966 -40.3966 -12.6456 -12.6456 -12.3614 -12.3614 -12.2630 -12.2630 -7.4729 -7.4729 -7.3882 -7.3882 4.0746 4.0746 5.2348 5.2348 6.1090 6.1090 6.3126 6.3126 7.2111 7.2111 7.3459 7.3459 9.8631 9.8631 10.2755 10.2755 10.6008 10.6008 12.3519 12.3519 12.7245 12.7245 19.6018 19.6018 19.9310 19.9310 k = 0.5000-0.7711-0.6301 ( 3070 PWs) bands (ev): -81.2348 -81.2348 -46.9229 -46.9229 -45.2356 -45.2356 -45.1308 -45.1308 -40.3965 -40.3965 -12.6443 -12.6443 -12.3630 -12.3630 -12.2637 -12.2637 -7.4709 -7.4709 -7.3860 -7.3860 4.0893 4.0893 5.2225 5.2225 6.1234 6.1234 6.3108 6.3108 7.1714 7.1714 7.3412 7.3412 9.8771 9.8771 10.2814 10.2814 10.6037 10.6037 12.3518 12.3518 12.7043 12.7043 19.6076 19.6076 19.9457 19.9457 k = 0.5000-0.7621-0.6450 ( 3066 PWs) bands (ev): -81.2347 -81.2347 -46.9229 -46.9229 -45.2357 -45.2357 -45.1309 -45.1309 -40.3964 -40.3964 -12.6428 -12.6428 -12.3647 -12.3647 -12.2644 -12.2644 -7.4686 -7.4686 -7.3835 -7.3835 4.1059 4.1059 5.2092 5.2092 6.1396 6.1396 6.3080 6.3080 7.1286 7.1286 7.3358 7.3358 9.8916 9.8916 10.2887 10.2887 10.6073 10.6073 12.3518 12.3518 12.6838 12.6838 19.6142 19.6142 19.9615 19.9615 k = 0.5000-0.7531-0.6598 ( 3070 PWs) bands (ev): -81.2348 -81.2348 -46.9230 -46.9230 -45.2359 -45.2359 -45.1310 -45.1310 -40.3963 -40.3963 -12.6411 -12.6411 -12.3667 -12.3667 -12.2651 -12.2651 -7.4660 -7.4660 -7.3809 -7.3809 4.1243 4.1243 5.1950 5.1950 6.1569 6.1569 6.3037 6.3037 7.0836 7.0836 7.3296 7.3296 9.9055 9.9055 10.2955 10.2955 10.6107 10.6107 12.3518 12.3518 12.6607 12.6607 19.6215 19.6215 19.9784 19.9784 k = 0.5000-0.7441-0.6747 ( 3072 PWs) bands (ev): -81.2348 -81.2348 -46.9231 -46.9231 -45.2360 -45.2360 -45.1311 -45.1311 -40.3961 -40.3961 -12.6393 -12.6393 -12.3689 -12.3689 -12.2659 -12.2659 -7.4632 -7.4632 -7.3780 -7.3780 4.1445 4.1445 5.1803 5.1803 6.1754 6.1754 6.2976 6.2976 7.0373 7.0373 7.3225 7.3225 9.9193 9.9193 10.3032 10.3032 10.6150 10.6150 12.3517 12.3517 12.6365 12.6365 19.6296 19.6296 19.9959 19.9959 k = 0.5000-0.7351-0.6896 ( 3070 PWs) bands (ev): -81.2347 -81.2347 -46.9232 -46.9232 -45.2361 -45.2361 -45.1312 -45.1312 -40.3960 -40.3960 -12.6373 -12.6373 -12.3713 -12.3713 -12.2666 -12.2666 -7.4602 -7.4602 -7.3750 -7.3750 4.1666 4.1666 5.1650 5.1650 6.1950 6.1950 6.2890 6.2890 6.9909 6.9909 7.3144 7.3144 9.9326 9.9326 10.3128 10.3128 10.6198 10.6198 12.3515 12.3515 12.6117 12.6117 19.6384 19.6384 20.0139 20.0139 k = 0.5000-0.7261-0.7044 ( 3066 PWs) bands (ev): -81.2346 -81.2346 -46.9232 -46.9232 -45.2362 -45.2362 -45.1312 -45.1312 -40.3958 -40.3958 -12.6352 -12.6352 -12.3740 -12.3740 -12.2673 -12.2673 -7.4570 -7.4570 -7.3719 -7.3719 4.1905 4.1905 5.1494 5.1494 6.2155 6.2155 6.2774 6.2774 6.9454 6.9454 7.3051 7.3051 9.9454 9.9454 10.3232 10.3232 10.6251 10.6251 12.3514 12.3514 12.5865 12.5865 19.6479 19.6479 20.0322 20.0322 k = 0.5000-0.7171-0.7193 ( 3066 PWs) bands (ev): -81.2345 -81.2345 -46.9233 -46.9233 -45.2363 -45.2363 -45.1314 -45.1314 -40.3956 -40.3956 -12.6330 -12.6330 -12.3769 -12.3769 -12.2679 -12.2679 -7.4535 -7.4535 -7.3686 -7.3686 4.2161 4.2161 5.1336 5.1336 6.2354 6.2354 6.2631 6.2631 6.9021 6.9021 7.2947 7.2947 9.9564 9.9564 10.3340 10.3340 10.6307 10.6307 12.3511 12.3511 12.5603 12.5603 19.6582 19.6582 20.0504 20.0504 k = 0.5000-0.7081-0.7341 ( 3064 PWs) bands (ev): -81.2344 -81.2344 -46.9234 -46.9234 -45.2364 -45.2364 -45.1315 -45.1315 -40.3955 -40.3955 -12.6306 -12.6306 -12.3800 -12.3800 -12.2685 -12.2685 -7.4499 -7.4499 -7.3652 -7.3652 4.2434 4.2434 5.1177 5.1177 6.2361 6.2361 6.2640 6.2640 6.8622 6.8622 7.2829 7.2829 9.9664 9.9664 10.3452 10.3452 10.6367 10.6367 12.3511 12.3511 12.5346 12.5346 19.6693 19.6693 20.0683 20.0683 k = 0.5000-0.6991-0.7490 ( 3062 PWs) bands (ev): -81.2343 -81.2343 -46.9235 -46.9235 -45.2365 -45.2365 -45.1316 -45.1316 -40.3953 -40.3953 -12.6281 -12.6281 -12.3834 -12.3834 -12.2690 -12.2690 -7.4460 -7.4460 -7.3618 -7.3618 4.2723 4.2723 5.1019 5.1019 6.2115 6.2115 6.2854 6.2854 6.8267 6.8267 7.2698 7.2698 9.9751 9.9751 10.3573 10.3573 10.6428 10.6428 12.3506 12.3506 12.5091 12.5091 19.6811 19.6811 20.0858 20.0858 k = 0.5000-0.6901-0.7639 ( 3064 PWs) bands (ev): -81.2344 -81.2344 -46.9236 -46.9236 -45.2367 -45.2367 -45.1317 -45.1317 -40.3951 -40.3951 -12.6256 -12.6256 -12.3870 -12.3870 -12.2695 -12.2695 -7.4420 -7.4420 -7.3584 -7.3584 4.3028 4.3028 5.0861 5.0861 6.1793 6.1793 6.3090 6.3090 6.7964 6.7964 7.2552 7.2552 9.9821 9.9821 10.3691 10.3691 10.6488 10.6488 12.3502 12.3502 12.4834 12.4834 19.6938 19.6938 20.1025 20.1025 k = 0.5000-0.6810-0.7787 ( 3064 PWs) bands (ev): -81.2343 -81.2343 -46.9237 -46.9237 -45.2368 -45.2368 -45.1318 -45.1318 -40.3949 -40.3949 -12.6229 -12.6229 -12.3907 -12.3907 -12.2699 -12.2699 -7.4378 -7.4378 -7.3550 -7.3550 4.3349 4.3349 5.0706 5.0706 6.1407 6.1407 6.3336 6.3336 6.7717 6.7717 7.2392 7.2392 9.9879 9.9879 10.3822 10.3822 10.6548 10.6548 12.3496 12.3496 12.4587 12.4587 19.7072 19.7072 20.1181 20.1181 k = 0.5000-0.6720-0.7936 ( 3064 PWs) bands (ev): -81.2343 -81.2343 -46.9239 -46.9239 -45.2370 -45.2370 -45.1319 -45.1319 -40.3947 -40.3947 -12.6202 -12.6202 -12.3946 -12.3946 -12.2702 -12.2702 -7.4334 -7.4334 -7.3516 -7.3516 4.3685 4.3685 5.0554 5.0554 6.0961 6.0961 6.3590 6.3590 6.7525 6.7525 7.2216 7.2216 9.9921 9.9921 10.3953 10.3953 10.6610 10.6610 12.3488 12.3488 12.4352 12.4352 19.7215 19.7215 20.1325 20.1325 k = 0.5000-0.6630-0.8084 ( 3072 PWs) bands (ev): -81.2346 -81.2346 -46.9241 -46.9241 -45.2372 -45.2372 -45.1321 -45.1321 -40.3945 -40.3945 -12.6175 -12.6175 -12.3986 -12.3986 -12.2705 -12.2705 -7.4289 -7.4289 -7.3484 -7.3484 4.4036 4.4036 5.0404 5.0404 6.0463 6.0463 6.3850 6.3850 6.7383 6.7383 7.2026 7.2026 9.9947 9.9947 10.4075 10.4075 10.6664 10.6664 12.3471 12.3471 12.4123 12.4123 19.7367 19.7367 20.1454 20.1454 k = 0.5000-0.6540-0.8233 ( 3070 PWs) bands (ev): -81.2344 -81.2344 -46.9242 -46.9242 -45.2373 -45.2373 -45.1322 -45.1322 -40.3943 -40.3943 -12.6147 -12.6147 -12.4027 -12.4027 -12.2706 -12.2706 -7.4242 -7.4242 -7.3452 -7.3452 4.4400 4.4400 5.0260 5.0260 5.9922 5.9922 6.4118 6.4118 6.7287 6.7287 7.1821 7.1821 9.9964 9.9964 10.4216 10.4216 10.6719 10.6719 12.3452 12.3452 12.3924 12.3924 19.7527 19.7527 20.1564 20.1564 k = 0.5000-0.6450-0.8381 ( 3070 PWs) bands (ev): -81.2344 -81.2344 -46.9243 -46.9243 -45.2375 -45.2375 -45.1323 -45.1323 -40.3941 -40.3941 -12.6119 -12.6119 -12.4069 -12.4069 -12.2707 -12.2707 -7.4195 -7.4195 -7.3423 -7.3423 4.4778 4.4778 5.0121 5.0121 5.9348 5.9348 6.4392 6.4392 6.7228 6.7228 7.1601 7.1601 9.9966 9.9966 10.4358 10.4358 10.6768 10.6768 12.3417 12.3417 12.3753 12.3753 19.7697 19.7697 20.1653 20.1653 k = 0.5000-0.6360-0.8530 ( 3068 PWs) bands (ev): -81.2343 -81.2343 -46.9244 -46.9244 -45.2376 -45.2376 -45.1325 -45.1325 -40.3939 -40.3939 -12.6091 -12.6091 -12.4110 -12.4110 -12.2708 -12.2708 -7.4146 -7.4146 -7.3396 -7.3396 4.5167 4.5167 4.9987 4.9987 5.8750 5.8750 6.4671 6.4671 6.7199 6.7199 7.1367 7.1367 9.9960 9.9960 10.4504 10.4504 10.6815 10.6815 12.3346 12.3346 12.3633 12.3633 19.7876 19.7876 20.1718 20.1718 k = 0.5000-0.6270-0.8679 ( 3068 PWs) bands (ev): -81.2342 -81.2342 -46.9245 -46.9245 -45.2377 -45.2377 -45.1326 -45.1326 -40.3937 -40.3937 -12.6063 -12.6063 -12.4152 -12.4152 -12.2708 -12.2708 -7.4096 -7.4096 -7.3371 -7.3371 4.5568 4.5568 4.9859 4.9859 5.8135 5.8135 6.4957 6.4957 6.7195 6.7195 7.1120 7.1120 9.9943 9.9943 10.4640 10.4640 10.6850 10.6850 12.3241 12.3241 12.3572 12.3572 19.8066 19.8066 20.1756 20.1756 k = 0.5000-0.6180-0.8827 ( 3072 PWs) bands (ev): -81.2344 -81.2344 -46.9246 -46.9246 -45.2379 -45.2379 -45.1327 -45.1327 -40.3936 -40.3936 -12.6036 -12.6036 -12.4193 -12.4193 -12.2708 -12.2708 -7.4046 -7.4046 -7.3349 -7.3349 4.5979 4.5979 4.9738 4.9738 5.7510 5.7510 6.5246 6.5246 6.7210 6.7210 7.0859 7.0859 9.9915 9.9915 10.4770 10.4770 10.6878 10.6878 12.3114 12.3114 12.3539 12.3539 19.8266 19.8266 20.1765 20.1765 k = 0.5000-0.6090-0.8976 ( 3074 PWs) bands (ev): -81.2344 -81.2344 -46.9247 -46.9247 -45.2380 -45.2380 -45.1328 -45.1328 -40.3934 -40.3934 -12.6010 -12.6010 -12.4232 -12.4232 -12.2707 -12.2707 -7.3995 -7.3995 -7.3332 -7.3332 4.6400 4.6400 4.9623 4.9623 5.6881 5.6881 6.5542 6.5542 6.7239 6.7239 7.0589 7.0589 9.9880 9.9880 10.4902 10.4902 10.6896 10.6896 12.2998 12.2998 12.3519 12.3519 19.8477 19.8477 20.1740 20.1740 k = 0.5000-0.6000-0.9124 ( 3072 PWs) bands (ev): -81.2343 -81.2343 -46.9248 -46.9248 -45.2382 -45.2382 -45.1329 -45.1329 -40.3932 -40.3932 -12.5985 -12.5985 -12.4271 -12.4271 -12.2706 -12.2706 -7.3943 -7.3943 -7.3318 -7.3318 4.6830 4.6830 4.9514 4.9514 5.6255 5.6255 6.5842 6.5842 6.7279 6.7279 7.0310 7.0310 9.9847 9.9847 10.5033 10.5033 10.6907 10.6907 12.2896 12.2896 12.3509 12.3509 19.8700 19.8700 20.1679 20.1679 k = 0.5000-0.5910-0.9273 ( 3076 PWs) bands (ev): -81.2344 -81.2344 -46.9249 -46.9249 -45.2383 -45.2383 -45.1330 -45.1330 -40.3931 -40.3931 -12.5961 -12.5961 -12.4307 -12.4307 -12.2705 -12.2705 -7.3891 -7.3891 -7.3308 -7.3308 4.7264 4.7264 4.9412 4.9412 5.5636 5.5636 6.6143 6.6143 6.7326 6.7326 7.0023 7.0023 9.9804 9.9804 10.5153 10.5153 10.6901 10.6901 12.2809 12.2809 12.3499 12.3499 19.8934 19.8934 20.1580 20.1580 k = 0.5000-0.5819-0.9422 ( 3076 PWs) bands (ev): -81.2344 -81.2344 -46.9250 -46.9250 -45.2385 -45.2385 -45.1330 -45.1330 -40.3929 -40.3929 -12.5940 -12.5940 -12.4340 -12.4340 -12.2704 -12.2704 -7.3839 -7.3839 -7.3303 -7.3303 4.7705 4.7705 4.9318 4.9318 5.5029 5.5029 6.6445 6.6445 6.7378 6.7378 6.9734 6.9734 9.9760 9.9760 10.5274 10.5274 10.6890 10.6890 12.2742 12.2742 12.3491 12.3491 19.9182 19.9182 20.1440 20.1440 k = 0.5000-0.5729-0.9570 ( 3076 PWs) bands (ev): -81.2344 -81.2344 -46.9251 -46.9251 -45.2386 -45.2386 -45.1331 -45.1331 -40.3928 -40.3928 -12.5920 -12.5920 -12.4371 -12.4371 -12.2702 -12.2702 -7.3787 -7.3787 -7.3304 -7.3304 4.8147 4.8147 4.9230 4.9230 5.4439 5.4439 6.6742 6.6742 6.7433 6.7433 6.9447 6.9447 9.9721 9.9721 10.5384 10.5384 10.6869 10.6869 12.2692 12.2692 12.3486 12.3486 19.9442 19.9442 20.1258 20.1258 k = 0.5000-0.5639-0.9719 ( 3080 PWs) bands (ev): -81.2345 -81.2345 -46.9252 -46.9252 -45.2387 -45.2387 -45.1331 -45.1331 -40.3927 -40.3927 -12.5903 -12.5903 -12.4398 -12.4398 -12.2701 -12.2701 -7.3735 -7.3735 -7.3310 -7.3310 4.8585 4.8585 4.9151 4.9151 5.3871 5.3871 6.7024 6.7024 6.7491 6.7491 6.9173 6.9173 9.9674 9.9674 10.5477 10.5477 10.6842 10.6842 12.2656 12.2656 12.3481 12.3481 19.9715 19.9715 20.1030 20.1030 k = 0.5000-0.5549-0.9867 ( 3076 PWs) bands (ev): -81.2344 -81.2344 -46.9252 -46.9252 -45.2388 -45.2388 -45.1332 -45.1332 -40.3926 -40.3926 -12.5888 -12.5888 -12.4420 -12.4420 -12.2700 -12.2700 -7.3683 -7.3683 -7.3322 -7.3322 4.8981 4.8981 4.9112 4.9112 5.3335 5.3335 6.7269 6.7269 6.7552 6.7552 6.8935 6.8935 9.9634 9.9634 10.5570 10.5570 10.6812 10.6812 12.2647 12.2647 12.3478 12.3478 20.0003 20.0003 20.0757 20.0757 k = 0.5000-0.5459-1.0016 ( 3076 PWs) bands (ev): -81.2343 -81.2343 -46.9253 -46.9253 -45.2388 -45.2388 -45.1332 -45.1332 -40.3925 -40.3925 -12.5877 -12.5877 -12.4438 -12.4438 -12.2699 -12.2699 -7.3632 -7.3632 -7.3341 -7.3341 4.8989 4.8989 4.9447 4.9447 5.2843 5.2843 6.7425 6.7425 6.7618 6.7618 6.8781 6.8781 9.9596 9.9596 10.5647 10.5647 10.6776 10.6776 12.2644 12.2644 12.3475 12.3475 20.0298 20.0298 20.0444 20.0444 k = 0.5000-0.5369-1.0165 ( 3080 PWs) bands (ev): -81.2345 -81.2345 -46.9253 -46.9253 -45.2389 -45.2389 -45.1333 -45.1333 -40.3925 -40.3925 -12.5868 -12.5868 -12.4452 -12.4452 -12.2698 -12.2698 -7.3583 -7.3583 -7.3366 -7.3366 4.8927 4.8927 4.9810 4.9810 5.2420 5.2420 6.7447 6.7447 6.7662 6.7662 6.8784 6.8784 9.9560 9.9560 10.5703 10.5703 10.6736 10.6736 12.2650 12.2650 12.3470 12.3470 20.0068 20.0068 20.0626 20.0626 k = 0.5000-0.5279-1.0313 ( 3088 PWs) bands (ev): -81.2348 -81.2348 -46.9255 -46.9255 -45.2390 -45.2390 -45.1333 -45.1333 -40.3924 -40.3924 -12.5863 -12.5863 -12.4461 -12.4461 -12.2698 -12.2698 -7.3536 -7.3536 -7.3396 -7.3396 4.8867 4.8867 5.0075 5.0075 5.2123 5.2123 6.7325 6.7325 6.7682 6.7682 6.8955 6.8955 9.9528 9.9528 10.5735 10.5735 10.6692 10.6692 12.2667 12.2667 12.3462 12.3462 19.9658 19.9658 20.0958 20.0958 k = 0.5000-0.5189-1.0462 ( 3082 PWs) bands (ev): -81.2345 -81.2345 -46.9254 -46.9254 -45.2390 -45.2390 -45.1333 -45.1333 -40.3924 -40.3924 -12.5860 -12.5860 -12.4465 -12.4465 -12.2698 -12.2698 -7.3500 -7.3500 -7.3424 -7.3424 4.8812 4.8812 5.0152 5.0152 5.2043 5.2043 6.7106 6.7106 6.7704 6.7704 6.9226 6.9226 9.9508 9.9508 10.5758 10.5758 10.6673 10.6673 12.2706 12.2706 12.3462 12.3462 19.9203 19.9203 20.1307 20.1307 k = 0.5000-0.5099-1.0610 ( 3084 PWs) bands (ev): -81.2346 -81.2346 -46.9254 -46.9254 -45.2390 -45.2390 -45.1333 -45.1333 -40.3924 -40.3924 -12.5861 -12.5861 -12.4463 -12.4463 -12.2699 -12.2699 -7.3513 -7.3513 -7.3412 -7.3412 4.8759 4.8759 5.0013 5.0013 5.2205 5.2205 6.6845 6.6845 6.7721 6.7721 6.9547 6.9547 9.9493 9.9493 10.5742 10.5742 10.6653 10.6653 12.2747 12.2747 12.3460 12.3460 19.8706 19.8706 20.1672 20.1672 k = 0.5000-0.5009-1.0759 ( 3084 PWs) bands (ev): -81.2346 -81.2346 -46.9254 -46.9254 -45.2390 -45.2390 -45.1333 -45.1333 -40.3924 -40.3924 -12.5864 -12.5864 -12.4457 -12.4457 -12.2699 -12.2699 -7.3564 -7.3564 -7.3372 -7.3372 4.8710 4.8710 4.9743 4.9743 5.2524 5.2524 6.6571 6.6571 6.7730 6.7730 6.9894 6.9894 9.9487 9.9487 10.5702 10.5702 10.6650 10.6650 12.2795 12.2795 12.3460 12.3460 19.8169 19.8169 20.2055 20.2055 k = 0.5000-0.4919-1.0908 ( 3078 PWs) bands (ev): -81.2344 -81.2344 -46.9253 -46.9253 -45.2389 -45.2389 -45.1332 -45.1332 -40.3925 -40.3925 -12.5869 -12.5869 -12.4447 -12.4447 -12.2701 -12.2701 -7.3629 -7.3629 -7.3328 -7.3328 4.8662 4.8662 4.9428 4.9428 5.2917 5.2917 6.6297 6.6297 6.7730 6.7730 7.0259 7.0259 9.9493 9.9493 10.5639 10.5639 10.6661 10.6661 12.2854 12.2854 12.3468 12.3468 19.7597 19.7597 20.2455 20.2455 k = 0.5000-0.4828-1.1056 ( 3070 PWs) bands (ev): -81.2341 -81.2341 -46.9252 -46.9252 -45.2387 -45.2387 -45.1331 -45.1331 -40.3926 -40.3926 -12.5875 -12.5875 -12.4432 -12.4432 -12.2703 -12.2703 -7.3704 -7.3704 -7.3283 -7.3283 4.8615 4.8615 4.9107 4.9107 5.3343 5.3343 6.6029 6.6029 6.7719 6.7719 7.0635 7.0635 9.9511 9.9511 10.5559 10.5559 10.6681 10.6681 12.2913 12.2913 12.3481 12.3481 19.6991 19.6991 20.2874 20.2874 k = 0.8162-0.3961-0.9394 ( 3070 PWs) bands (ev): -81.2341 -81.2341 -46.9252 -46.9252 -45.2387 -45.2387 -45.1331 -45.1331 -40.3926 -40.3926 -12.5875 -12.5875 -12.4432 -12.4432 -12.2703 -12.2703 -7.3704 -7.3704 -7.3283 -7.3283 4.8615 4.8615 4.9107 4.9107 5.3343 5.3343 6.6029 6.6029 6.7719 6.7719 7.0635 7.0635 9.9511 9.9511 10.5559 10.5559 10.6681 10.6681 12.2913 12.2913 12.3481 12.3481 19.6991 19.6991 20.2874 20.2874 k = 0.8116-0.3884-0.9246 ( 3070 PWs) bands (ev): -81.2341 -81.2341 -46.9251 -46.9251 -45.2386 -45.2386 -45.1331 -45.1331 -40.3927 -40.3927 -12.5884 -12.5884 -12.4413 -12.4413 -12.2705 -12.2705 -7.3789 -7.3789 -7.3240 -7.3240 4.8563 4.8563 4.8804 4.8804 5.3782 5.3782 6.5772 6.5772 6.7694 6.7694 7.1020 7.1020 9.9537 9.9537 10.5453 10.5453 10.6699 10.6699 12.2968 12.2968 12.3484 12.3484 19.6358 19.6358 20.3308 20.3308 k = 0.8070-0.3807-0.9097 ( 3070 PWs) bands (ev): -81.2341 -81.2341 -46.9250 -46.9250 -45.2385 -45.2385 -45.1330 -45.1330 -40.3928 -40.3928 -12.5893 -12.5893 -12.4391 -12.4391 -12.2709 -12.2709 -7.3884 -7.3884 -7.3198 -7.3198 4.8457 4.8457 4.8575 4.8575 5.4226 5.4226 6.5529 6.5529 6.7657 6.7657 7.1413 7.1413 9.9575 9.9575 10.5335 10.5335 10.6719 10.6719 12.3014 12.3014 12.3491 12.3491 19.5700 19.5700 20.3761 20.3761 k = 0.8024-0.3730-0.8949 ( 3070 PWs) bands (ev): -81.2342 -81.2342 -46.9249 -46.9249 -45.2383 -45.2383 -45.1330 -45.1330 -40.3930 -40.3930 -12.5903 -12.5903 -12.4366 -12.4366 -12.2713 -12.2713 -7.3988 -7.3988 -7.3158 -7.3158 4.8222 4.8222 4.8499 4.8499 5.4670 5.4670 6.5305 6.5305 6.7606 6.7606 7.1811 7.1811 9.9625 9.9625 10.5215 10.5215 10.6732 10.6732 12.3059 12.3059 12.3495 12.3495 19.5020 19.5020 20.4233 20.4233 k = 0.7979-0.3652-0.8801 ( 3066 PWs) bands (ev): -81.2340 -81.2340 -46.9247 -46.9247 -45.2381 -45.2381 -45.1329 -45.1329 -40.3932 -40.3932 -12.5912 -12.5912 -12.4338 -12.4338 -12.2717 -12.2717 -7.4103 -7.4103 -7.3119 -7.3119 4.7990 4.7990 4.8447 4.8447 5.5109 5.5109 6.5101 6.5101 6.7541 6.7541 7.2217 7.2217 9.9688 9.9688 10.5085 10.5085 10.6753 10.6753 12.3104 12.3104 12.3501 12.3501 19.4323 19.4323 20.4724 20.4724 k = 0.7933-0.3575-0.8653 ( 3066 PWs) bands (ev): -81.2341 -81.2341 -46.9246 -46.9246 -45.2379 -45.2379 -45.1328 -45.1328 -40.3934 -40.3934 -12.5921 -12.5921 -12.4308 -12.4308 -12.2723 -12.2723 -7.4227 -7.4227 -7.3083 -7.3083 4.7784 4.7784 4.8396 4.8396 5.5542 5.5542 6.4919 6.4919 6.7461 6.7461 7.2629 7.2629 9.9763 9.9763 10.4947 10.4947 10.6763 10.6763 12.3141 12.3141 12.3504 12.3504 19.3612 19.3612 20.5234 20.5234 k = 0.7887-0.3498-0.8505 ( 3064 PWs) bands (ev): -81.2340 -81.2340 -46.9244 -46.9244 -45.2376 -45.2376 -45.1328 -45.1328 -40.3936 -40.3936 -12.5929 -12.5929 -12.4276 -12.4276 -12.2729 -12.2729 -7.4361 -7.4361 -7.3048 -7.3048 4.7609 4.7609 4.8342 4.8342 5.5966 5.5966 6.4762 6.4762 6.7367 6.7367 7.3046 7.3046 9.9852 9.9852 10.4810 10.4810 10.6765 10.6765 12.3172 12.3172 12.3513 12.3513 19.2891 19.2891 20.5764 20.5764 k = 0.7841-0.3420-0.8356 ( 3066 PWs) bands (ev): -81.2342 -81.2342 -46.9243 -46.9243 -45.2373 -45.2373 -45.1327 -45.1327 -40.3939 -40.3939 -12.5936 -12.5936 -12.4243 -12.4243 -12.2736 -12.2736 -7.4505 -7.4505 -7.3015 -7.3015 4.7466 4.7466 4.8285 4.8285 5.6379 5.6379 6.4631 6.4631 6.7259 6.7259 7.3467 7.3467 9.9950 9.9950 10.4662 10.4662 10.6766 10.6766 12.3185 12.3185 12.3519 12.3519 19.2163 19.2163 20.6313 20.6313 k = 0.7795-0.3343-0.8208 ( 3066 PWs) bands (ev): -81.2342 -81.2342 -46.9241 -46.9241 -45.2370 -45.2370 -45.1326 -45.1326 -40.3942 -40.3942 -12.5942 -12.5942 -12.4208 -12.4208 -12.2744 -12.2744 -7.4659 -7.4659 -7.2985 -7.2985 4.7356 4.7356 4.8225 4.8225 5.6781 5.6781 6.4528 6.4528 6.7136 6.7136 7.3892 7.3892 10.0062 10.0062 10.4522 10.4522 10.6759 10.6759 12.3190 12.3190 12.3525 12.3525 19.1431 19.1431 20.6881 20.6881 k = 0.7750-0.3266-0.8060 ( 3064 PWs) bands (ev): -81.2342 -81.2342 -46.9238 -46.9238 -45.2366 -45.2366 -45.1325 -45.1325 -40.3946 -40.3946 -12.5945 -12.5945 -12.4173 -12.4173 -12.2752 -12.2752 -7.4823 -7.4823 -7.2957 -7.2957 4.7278 4.7278 4.8161 4.8161 5.7168 5.7168 6.4453 6.4453 6.7000 6.7000 7.4321 7.4321 10.0184 10.0184 10.4392 10.4392 10.6747 10.6747 12.3188 12.3188 12.3528 12.3528 19.0697 19.0697 20.7469 20.7469 k = 0.7704-0.3189-0.7912 ( 3064 PWs) bands (ev): -81.2343 -81.2343 -46.9236 -46.9236 -45.2362 -45.2362 -45.1324 -45.1324 -40.3950 -40.3950 -12.5947 -12.5947 -12.4136 -12.4136 -12.2761 -12.2761 -7.4997 -7.4997 -7.2931 -7.2931 4.7234 4.7234 4.8093 4.8093 5.7540 5.7540 6.4408 6.4408 6.6851 6.6851 7.4753 7.4753 10.0313 10.0313 10.4261 10.4261 10.6730 10.6730 12.3171 12.3171 12.3534 12.3534 18.9966 18.9966 20.8075 20.8075 k = 0.7658-0.3111-0.7764 ( 3072 PWs) bands (ev): -81.2347 -81.2347 -46.9234 -46.9234 -45.2358 -45.2358 -45.1324 -45.1324 -40.3954 -40.3954 -12.5946 -12.5946 -12.4100 -12.4100 -12.2771 -12.2771 -7.5181 -7.5181 -7.2908 -7.2908 4.7222 4.7222 4.8020 4.8020 5.7895 5.7895 6.4392 6.4392 6.6689 6.6689 7.5185 7.5185 10.0444 10.0444 10.4133 10.4133 10.6696 10.6696 12.3132 12.3132 12.3534 12.3534 18.9238 18.9238 20.8698 20.8698 k = 0.7612-0.3034-0.7615 ( 3070 PWs) bands (ev): -81.2347 -81.2347 -46.9232 -46.9232 -45.2353 -45.2353 -45.1323 -45.1323 -40.3958 -40.3958 -12.5943 -12.5943 -12.4063 -12.4063 -12.2781 -12.2781 -7.5373 -7.5373 -7.2887 -7.2887 4.7244 4.7244 4.7944 4.7944 5.8232 5.8232 6.4409 6.4409 6.6516 6.6516 7.5620 7.5620 10.0583 10.0583 10.4029 10.4029 10.6662 10.6662 12.3092 12.3092 12.3544 12.3544 18.8516 18.8516 20.9338 20.9338 k = 0.7566-0.2957-0.7467 ( 3066 PWs) bands (ev): -81.2346 -81.2346 -46.9228 -46.9228 -45.2348 -45.2348 -45.1322 -45.1322 -40.3963 -40.3963 -12.5937 -12.5937 -12.4026 -12.4026 -12.2791 -12.2791 -7.5575 -7.5575 -7.2869 -7.2869 4.7299 4.7299 4.7866 4.7866 5.8551 5.8551 6.4457 6.4457 6.6333 6.6333 7.6056 7.6056 10.0724 10.0724 10.3947 10.3947 10.6625 10.6625 12.3034 12.3034 12.3554 12.3554 18.7802 18.7802 20.9995 20.9995 k = 0.7520-0.2880-0.7319 ( 3064 PWs) bands (ev): -81.2346 -81.2346 -46.9225 -46.9225 -45.2342 -45.2342 -45.1320 -45.1320 -40.3968 -40.3968 -12.5928 -12.5928 -12.3990 -12.3990 -12.2802 -12.2802 -7.5786 -7.5786 -7.2853 -7.2853 4.7386 4.7386 4.7785 4.7785 5.8849 5.8849 6.4536 6.4536 6.6141 6.6141 7.6490 7.6490 10.0860 10.0860 10.3879 10.3879 10.6579 10.6579 12.2962 12.2962 12.3568 12.3568 18.7097 18.7097 21.0665 21.0665 k = 0.7475-0.2802-0.7171 ( 3064 PWs) bands (ev): -81.2347 -81.2347 -46.9221 -46.9221 -45.2336 -45.2336 -45.1319 -45.1319 -40.3973 -40.3973 -12.5916 -12.5916 -12.3954 -12.3954 -12.2813 -12.2813 -7.6005 -7.6005 -7.2841 -7.2841 4.7503 4.7503 4.7703 4.7703 5.9125 5.9125 6.4643 6.4643 6.5942 6.5942 7.6924 7.6924 10.0990 10.0990 10.3836 10.3836 10.6526 10.6526 12.2864 12.2864 12.3582 12.3582 18.6403 18.6403 21.1345 21.1345 k = 0.7429-0.2725-0.7023 ( 3076 PWs) bands (ev): -81.2353 -81.2353 -46.9219 -46.9219 -45.2331 -45.2331 -45.1319 -45.1319 -40.3979 -40.3979 -12.5903 -12.5903 -12.3920 -12.3920 -12.2824 -12.2824 -7.6233 -7.6233 -7.2831 -7.2831 4.7605 4.7605 4.7665 4.7665 5.9376 5.9376 6.4778 6.4778 6.5738 6.5738 7.7354 7.7354 10.1096 10.1096 10.3815 10.3815 10.6451 10.6451 12.2746 12.2746 12.3589 12.3589 18.5719 18.5719 21.2029 21.2029 k = 0.7383-0.2648-0.6875 ( 3072 PWs) bands (ev): -81.2352 -81.2352 -46.9215 -46.9215 -45.2324 -45.2324 -45.1318 -45.1318 -40.3985 -40.3985 -12.5885 -12.5885 -12.3885 -12.3885 -12.2836 -12.2836 -7.6469 -7.6469 -7.2824 -7.2824 4.7531 4.7531 4.7836 4.7836 5.9604 5.9604 6.4942 6.4942 6.5536 6.5536 7.7782 7.7782 10.1192 10.1192 10.3832 10.3832 10.6397 10.6397 12.2627 12.2627 12.3609 12.3609 18.5050 18.5050 21.2710 21.2710 k = 0.7337-0.2570-0.6726 ( 3066 PWs) bands (ev): -81.2351 -81.2351 -46.9210 -46.9210 -45.2316 -45.2316 -45.1317 -45.1317 -40.3991 -40.3991 -12.5865 -12.5865 -12.3852 -12.3852 -12.2847 -12.2847 -7.6711 -7.6711 -7.2819 -7.2819 4.7451 4.7451 4.8044 4.8044 5.9807 5.9807 6.5113 6.5113 6.5354 6.5354 7.8205 7.8205 10.1265 10.1265 10.3903 10.3903 10.6333 10.6333 12.2486 12.2486 12.3636 12.3636 18.4393 18.4393 21.3373 21.3373 k = 0.7291-0.2493-0.6578 ( 3066 PWs) bands (ev): -81.2352 -81.2352 -46.9206 -46.9206 -45.2309 -45.2309 -45.1315 -45.1315 -40.3998 -40.3998 -12.5842 -12.5842 -12.3821 -12.3821 -12.2857 -12.2857 -7.6962 -7.6962 -7.2818 -7.2818 4.7372 4.7372 4.8279 4.8279 5.9980 5.9980 6.5083 6.5083 6.5404 6.5404 7.8621 7.8621 10.1313 10.1313 10.3996 10.3996 10.6258 10.6258 12.2327 12.2327 12.3668 12.3668 18.3749 18.3749 21.3995 21.3995 k = 0.7245-0.2416-0.6430 ( 3072 PWs) bands (ev): -81.2356 -81.2356 -46.9203 -46.9203 -45.2302 -45.2302 -45.1314 -45.1314 -40.4005 -40.4005 -12.5816 -12.5816 -12.3791 -12.3791 -12.2867 -12.2867 -7.7218 -7.7218 -7.2820 -7.2820 4.7298 4.7298 4.8540 4.8540 6.0122 6.0122 6.4901 6.4901 6.5638 6.5638 7.9029 7.9029 10.1341 10.1341 10.4104 10.4104 10.6179 10.6179 12.2154 12.2154 12.3701 12.3701 18.3119 18.3119 21.4533 21.4533 k = 0.7200-0.2339-0.6282 ( 3078 PWs) bands (ev): -81.2360 -81.2360 -46.9199 -46.9199 -45.2295 -45.2295 -45.1313 -45.1313 -40.4012 -40.4012 -12.5788 -12.5788 -12.3764 -12.3764 -12.2876 -12.2876 -7.7481 -7.7481 -7.2824 -7.2824 4.7227 4.7227 4.8825 4.8825 6.0233 6.0233 6.4718 6.4718 6.5909 6.5909 7.9427 7.9427 10.1344 10.1344 10.4252 10.4252 10.6096 10.6096 12.1965 12.1965 12.3738 12.3738 18.2502 18.2502 21.4917 21.4917 k = 0.7154-0.2261-0.6134 ( 3080 PWs) bands (ev): -81.2362 -81.2362 -46.9195 -46.9195 -45.2286 -45.2286 -45.1313 -45.1313 -40.4019 -40.4019 -12.5757 -12.5757 -12.3738 -12.3738 -12.2884 -12.2884 -7.7749 -7.7749 -7.2831 -7.2831 4.7164 4.7164 4.9132 4.9132 6.0309 6.0309 6.4549 6.4549 6.6204 6.6204 7.9815 7.9815 10.1336 10.1336 10.4424 10.4424 10.6018 10.6018 12.1771 12.1771 12.3784 12.3784 18.1900 18.1900 21.5054 21.5054 k = 0.7108-0.2184-0.5985 ( 3072 PWs) bands (ev): -81.2360 -81.2360 -46.9189 -46.9189 -45.2277 -45.2277 -45.1311 -45.1311 -40.4027 -40.4027 -12.5724 -12.5724 -12.3714 -12.3714 -12.2890 -12.2890 -7.8023 -7.8023 -7.2841 -7.2841 4.7108 4.7108 4.9460 4.9460 6.0351 6.0351 6.4401 6.4401 6.6529 6.6529 8.0190 8.0190 10.1319 10.1319 10.4605 10.4605 10.5956 10.5956 12.1586 12.1586 12.3839 12.3839 18.1312 18.1312 21.4878 21.4878 k = 0.7062-0.2107-0.5837 ( 3072 PWs) bands (ev): -81.2362 -81.2362 -46.9184 -46.9184 -45.2268 -45.2268 -45.1310 -45.1310 -40.4034 -40.4034 -12.5688 -12.5688 -12.3693 -12.3693 -12.2894 -12.2894 -7.8300 -7.8300 -7.2854 -7.2854 4.7061 4.7061 4.9803 4.9803 6.0354 6.0354 6.4278 6.4278 6.6873 6.6873 8.0548 8.0548 10.1291 10.1291 10.4776 10.4776 10.5908 10.5908 12.1383 12.1383 12.3896 12.3896 18.0737 18.0737 21.4403 21.4403 k = 0.7016-0.2029-0.5689 ( 3070 PWs) bands (ev): -81.2362 -81.2362 -46.9179 -46.9179 -45.2259 -45.2259 -45.1308 -45.1308 -40.4042 -40.4042 -12.5650 -12.5650 -12.3675 -12.3675 -12.2896 -12.2896 -7.8582 -7.8582 -7.2870 -7.2870 4.7024 4.7024 5.0159 5.0159 6.0321 6.0321 6.4183 6.4183 6.7238 6.7238 8.0890 8.0890 10.1258 10.1258 10.4921 10.4921 10.5898 10.5898 12.1177 12.1177 12.3960 12.3960 18.0175 18.0175 21.3712 21.3712 k = 0.6971-0.1952-0.5541 ( 3072 PWs) bands (ev): -81.2365 -81.2365 -46.9174 -46.9174 -45.2249 -45.2249 -45.1307 -45.1307 -40.4051 -40.4051 -12.5611 -12.5611 -12.3660 -12.3660 -12.2896 -12.2896 -7.8868 -7.8868 -7.2888 -7.2888 4.6998 4.6998 5.0524 5.0524 6.0251 6.0251 6.4121 6.4121 6.7622 6.7622 8.1211 8.1211 10.1221 10.1221 10.5002 10.5002 10.5945 10.5945 12.0969 12.0969 12.4030 12.4030 17.9625 17.9625 21.2884 21.2884 k = 0.6925-0.1875-0.5393 ( 3070 PWs) bands (ev): -81.2366 -81.2366 -46.9168 -46.9168 -45.2239 -45.2239 -45.1306 -45.1306 -40.4059 -40.4059 -12.5569 -12.5569 -12.3647 -12.3647 -12.2894 -12.2894 -7.9156 -7.9156 -7.2910 -7.2910 4.6983 4.6983 5.0894 5.0894 6.0149 6.0149 6.4094 6.4094 6.8024 6.8024 8.1510 8.1510 10.1182 10.1182 10.5020 10.5020 10.6068 10.6068 12.0766 12.0766 12.4107 12.4107 17.9088 17.9088 21.1972 21.1972 k = 0.6879-0.1798-0.5244 ( 3066 PWs) bands (ev): -81.2366 -81.2366 -46.9162 -46.9162 -45.2229 -45.2229 -45.1305 -45.1305 -40.4068 -40.4068 -12.5527 -12.5527 -12.3637 -12.3637 -12.2889 -12.2889 -7.9446 -7.9446 -7.2933 -7.2933 4.6981 4.6981 5.1264 5.1264 6.0019 6.0019 6.4102 6.4102 6.8443 6.8443 8.1785 8.1785 10.1144 10.1144 10.4984 10.4984 10.6250 10.6250 12.0569 12.0569 12.4194 12.4194 17.8563 17.8563 21.1007 21.1007 k = 0.6833-0.1720-0.5096 ( 3066 PWs) bands (ev): -81.2367 -81.2367 -46.9157 -46.9157 -45.2218 -45.2218 -45.1304 -45.1304 -40.4077 -40.4077 -12.5483 -12.5483 -12.3629 -12.3629 -12.2882 -12.2882 -7.9738 -7.9738 -7.2960 -7.2960 4.6992 4.6992 5.1627 5.1627 5.9868 5.9868 6.4145 6.4145 6.8877 6.8877 8.2032 8.2032 10.1106 10.1106 10.4908 10.4908 10.6452 10.6452 12.0381 12.0381 12.4287 12.4287 17.8048 17.8048 21.0007 21.0007 k = 0.6787-0.1643-0.4948 ( 3064 PWs) bands (ev): -81.2368 -81.2368 -46.9151 -46.9151 -45.2208 -45.2208 -45.1303 -45.1303 -40.4085 -40.4085 -12.5439 -12.5439 -12.3624 -12.3624 -12.2872 -12.2872 -8.0032 -8.0032 -7.2988 -7.2988 4.7018 4.7018 5.1977 5.1977 5.9702 5.9702 6.4226 6.4226 6.9327 6.9327 8.2249 8.2249 10.1068 10.1068 10.4817 10.4817 10.6673 10.6673 12.0204 12.0204 12.4387 12.4387 17.7545 17.7545 20.8983 20.8983 k = 0.6741-0.1566-0.4800 ( 3058 PWs) bands (ev): -81.2367 -81.2367 -46.9144 -46.9144 -45.2196 -45.2196 -45.1301 -45.1301 -40.4094 -40.4094 -12.5394 -12.5394 -12.3620 -12.3620 -12.2860 -12.2860 -8.0325 -8.0325 -7.3019 -7.3019 4.7058 4.7058 5.2307 5.2307 5.9528 5.9528 6.4345 6.4345 6.9791 6.9791 8.2434 8.2434 10.1033 10.1033 10.4718 10.4718 10.6903 10.6903 12.0043 12.0043 12.4497 12.4497 17.7050 17.7050 20.7945 20.7945 k = 0.6696-0.1488-0.4652 ( 3058 PWs) bands (ev): -81.2369 -81.2369 -46.9139 -46.9139 -45.2186 -45.2186 -45.1300 -45.1300 -40.4104 -40.4104 -12.5350 -12.5350 -12.3618 -12.3618 -12.2846 -12.2846 -8.0619 -8.0619 -7.3053 -7.3053 4.7112 4.7112 5.2609 5.2609 5.9350 5.9350 6.4505 6.4505 7.0266 7.0266 8.2585 8.2585 10.0997 10.0997 10.4600 10.4600 10.7130 10.7130 11.9895 11.9895 12.4610 12.4610 17.6564 17.6564 20.6894 20.6894 k = 0.6650-0.1411-0.4504 ( 3058 PWs) bands (ev): -81.2371 -81.2371 -46.9133 -46.9133 -45.2175 -45.2175 -45.1299 -45.1299 -40.4113 -40.4113 -12.5307 -12.5307 -12.3616 -12.3616 -12.2829 -12.2829 -8.0912 -8.0912 -7.3088 -7.3088 4.7182 4.7182 5.2875 5.2875 5.9177 5.9177 6.4708 6.4708 7.0753 7.0753 8.2700 8.2700 10.0957 10.0957 10.4477 10.4477 10.7349 10.7349 11.9774 11.9774 12.4730 12.4730 17.6088 17.6088 20.5836 20.5836 k = 0.6604-0.1334-0.4355 ( 3060 PWs) bands (ev): -81.2373 -81.2373 -46.9127 -46.9127 -45.2164 -45.2164 -45.1298 -45.1298 -40.4122 -40.4122 -12.5265 -12.5265 -12.3614 -12.3614 -12.2812 -12.2812 -8.1204 -8.1204 -7.3126 -7.3126 4.7268 4.7268 5.3099 5.3099 5.9012 5.9012 6.4956 6.4956 7.1249 7.1249 8.2777 8.2777 10.0920 10.0920 10.4348 10.4348 10.7556 10.7556 11.9672 11.9672 12.4859 12.4859 17.5619 17.5619 20.4773 20.4773 k = 0.6558-0.1257-0.4207 ( 3060 PWs) bands (ev): -81.2375 -81.2375 -46.9121 -46.9121 -45.2153 -45.2153 -45.1297 -45.1297 -40.4131 -40.4131 -12.5225 -12.5225 -12.3611 -12.3611 -12.2792 -12.2792 -8.1494 -8.1494 -7.3165 -7.3165 4.7370 4.7370 5.3274 5.3274 5.8859 5.8859 6.5254 6.5254 7.1754 7.1754 8.2815 8.2815 10.0883 10.0883 10.4211 10.4211 10.7759 10.7759 11.9601 11.9601 12.4997 12.4997 17.5157 17.5157 20.3707 20.3707 k = 0.6512-0.1179-0.4059 ( 3064 PWs) bands (ev): -81.2378 -81.2378 -46.9116 -46.9116 -45.2142 -45.2142 -45.1296 -45.1296 -40.4141 -40.4141 -12.5187 -12.5187 -12.3608 -12.3608 -12.2772 -12.2772 -8.1782 -8.1782 -7.3206 -7.3206 4.7489 4.7489 5.3396 5.3396 5.8720 5.8720 6.5603 6.5603 7.2265 7.2265 8.2812 8.2812 10.0842 10.0842 10.4070 10.4070 10.7945 10.7945 11.9553 11.9553 12.5140 12.5140 17.4703 17.4703 20.2641 20.2641 k = 0.6466-0.1102-0.3911 ( 3062 PWs) bands (ev): -81.2379 -81.2379 -46.9110 -46.9110 -45.2131 -45.2131 -45.1295 -45.1295 -40.4150 -40.4150 -12.5151 -12.5151 -12.3602 -12.3602 -12.2750 -12.2750 -8.2067 -8.2067 -7.3249 -7.3249 4.7624 4.7624 5.3465 5.3465 5.8596 5.8596 6.6006 6.6006 7.2784 7.2784 8.2768 8.2768 10.0804 10.0804 10.3926 10.3926 10.8123 10.8123 11.9547 11.9547 12.5295 12.5295 17.4255 17.4255 20.1577 20.1577 k = 0.6421-0.1025-0.3763 ( 3060 PWs) bands (ev): -81.2380 -81.2380 -46.9104 -46.9104 -45.2120 -45.2120 -45.1294 -45.1294 -40.4160 -40.4160 -12.5119 -12.5119 -12.3595 -12.3595 -12.2727 -12.2727 -8.2349 -8.2349 -7.3293 -7.3293 4.7777 4.7777 5.3481 5.3481 5.8485 5.8485 6.6462 6.6462 7.3311 7.3311 8.2684 8.2684 10.0765 10.0765 10.3776 10.3776 10.8285 10.8285 11.9580 11.9580 12.5452 12.5452 17.3814 17.3814 20.0516 20.0516 k = 0.6375-0.0947-0.3614 ( 3058 PWs) bands (ev): -81.2381 -81.2381 -46.9098 -46.9098 -45.2108 -45.2108 -45.1293 -45.1293 -40.4169 -40.4169 -12.5090 -12.5090 -12.3584 -12.3584 -12.2703 -12.2703 -8.2627 -8.2627 -7.3339 -7.3339 4.7946 4.7946 5.3448 5.3448 5.8385 5.8385 6.6970 6.6970 7.3841 7.3841 8.2559 8.2559 10.0724 10.0724 10.3621 10.3621 10.8433 10.8433 11.9647 11.9647 12.5614 12.5614 17.3378 17.3378 19.9460 19.9460 k = 0.6329-0.0870-0.3466 ( 3060 PWs) bands (ev): -81.2384 -81.2384 -46.9092 -46.9092 -45.2097 -45.2097 -45.1292 -45.1292 -40.4178 -40.4178 -12.5066 -12.5066 -12.3570 -12.3570 -12.2679 -12.2679 -8.2900 -8.2900 -7.3385 -7.3385 4.8132 4.8132 5.3371 5.3371 5.8293 5.8293 6.7528 6.7528 7.4373 7.4373 8.2395 8.2395 10.0673 10.0673 10.3453 10.3453 10.8568 10.8568 11.9751 11.9751 12.5778 12.5778 17.2947 17.2947 19.8410 19.8410 k = 0.6283-0.0793-0.3318 ( 3062 PWs) bands (ev): -81.2386 -81.2386 -46.9086 -46.9086 -45.2086 -45.2086 -45.1291 -45.1291 -40.4187 -40.4187 -12.5046 -12.5046 -12.3554 -12.3554 -12.2655 -12.2655 -8.3169 -8.3169 -7.3433 -7.3433 4.8335 4.8335 5.3258 5.3258 5.8206 5.8206 6.8133 6.8133 7.4906 7.4906 8.2193 8.2193 10.0627 10.0627 10.3271 10.3271 10.8681 10.8681 11.9896 11.9896 12.5948 12.5948 17.2522 17.2522 19.7368 19.7368 k = 0.6237-0.0716-0.3170 ( 3068 PWs) bands (ev): -81.2390 -81.2390 -46.9081 -46.9081 -45.2076 -45.2076 -45.1290 -45.1290 -40.4197 -40.4197 -12.5031 -12.5031 -12.3534 -12.3534 -12.2630 -12.2630 -8.3432 -8.3432 -7.3481 -7.3481 4.8552 4.8552 5.3114 5.3114 5.8120 5.8120 6.8780 6.8780 7.5438 7.5438 8.1956 8.1956 10.0574 10.0574 10.3076 10.3076 10.8780 10.8780 12.0073 12.0073 12.6118 12.6118 17.2100 17.2100 19.6336 19.6336 k = 0.6191-0.0638-0.3022 ( 3060 PWs) bands (ev): -81.2389 -81.2389 -46.9075 -46.9075 -45.2065 -45.2065 -45.1289 -45.1289 -40.4206 -40.4206 -12.5019 -12.5019 -12.3510 -12.3510 -12.2604 -12.2604 -8.3690 -8.3690 -7.3529 -7.3529 4.8787 4.8787 5.2948 5.2948 5.8037 5.8037 6.9467 6.9467 7.5970 7.5970 8.1688 8.1688 10.0526 10.0526 10.2882 10.2882 10.8869 10.8869 12.0304 12.0304 12.6302 12.6302 17.1685 17.1685 19.5317 19.5317 k = 0.6146-0.0561-0.2873 ( 3060 PWs) bands (ev): -81.2390 -81.2390 -46.9069 -46.9069 -45.2054 -45.2054 -45.1288 -45.1288 -40.4214 -40.4214 -12.5012 -12.5012 -12.3484 -12.3484 -12.2577 -12.2577 -8.3941 -8.3941 -7.3579 -7.3579 4.9037 4.9037 5.2763 5.2763 5.7951 5.7951 7.0188 7.0188 7.6493 7.6493 8.1392 8.1392 10.0465 10.0465 10.2670 10.2670 10.8944 10.8944 12.0561 12.0561 12.6480 12.6480 17.1273 17.1273 19.4312 19.4312 k = 0.6100-0.0484-0.2725 ( 3060 PWs) bands (ev): -81.2392 -81.2392 -46.9063 -46.9063 -45.2044 -45.2044 -45.1287 -45.1287 -40.4223 -40.4223 -12.5009 -12.5009 -12.3454 -12.3454 -12.2551 -12.2551 -8.4186 -8.4186 -7.3628 -7.3628 4.9303 4.9303 5.2565 5.2565 5.7862 5.7862 7.0937 7.0937 7.7003 7.7003 8.1078 8.1078 10.0398 10.0398 10.2450 10.2450 10.9002 10.9002 12.0856 12.0856 12.6655 12.6655 17.0866 17.0866 19.3322 19.3322 k = 0.6054-0.0407-0.2577 ( 3068 PWs) bands (ev): -81.2396 -81.2396 -46.9059 -46.9059 -45.2034 -45.2034 -45.1286 -45.1286 -40.4232 -40.4232 -12.5010 -12.5010 -12.3423 -12.3423 -12.2524 -12.2524 -8.4424 -8.4424 -7.3677 -7.3677 4.9581 4.9581 5.2359 5.2359 5.7770 5.7770 7.1711 7.1711 7.7487 7.7487 8.0757 8.0757 10.0323 10.0323 10.2212 10.2212 10.9039 10.9039 12.1173 12.1173 12.6826 12.6826 17.0463 17.0463 19.2350 19.2350 k = 0.6008-0.0329-0.2429 ( 3068 PWs) bands (ev): -81.2398 -81.2398 -46.9054 -46.9054 -45.2025 -45.2025 -45.1285 -45.1285 -40.4240 -40.4240 -12.5014 -12.5014 -12.3390 -12.3390 -12.2497 -12.2497 -8.4654 -8.4654 -7.3726 -7.3726 4.9875 4.9875 5.2148 5.2148 5.7675 5.7675 7.2507 7.2507 7.7922 7.7922 8.0459 8.0459 10.0245 10.0245 10.1972 10.1972 10.9067 10.9067 12.1531 12.1531 12.6998 12.6998 17.0066 17.0066 19.1398 19.1398 k = 0.5962-0.0252-0.2281 ( 3070 PWs) bands (ev): -81.2400 -81.2400 -46.9049 -46.9049 -45.2015 -45.2015 -45.1284 -45.1284 -40.4248 -40.4248 -12.5021 -12.5021 -12.3356 -12.3356 -12.2470 -12.2470 -8.4877 -8.4877 -7.3775 -7.3775 5.0183 5.0183 5.1934 5.1934 5.7579 5.7579 7.3319 7.3319 7.8246 7.8246 8.0243 8.0243 10.0156 10.0156 10.1719 10.1719 10.9081 10.9081 12.1916 12.1916 12.7166 12.7166 16.9674 16.9674 19.0467 19.0467 k = 0.5917-0.0175-0.2133 ( 3068 PWs) bands (ev): -81.2401 -81.2401 -46.9044 -46.9044 -45.2006 -45.2006 -45.1283 -45.1283 -40.4256 -40.4256 -12.5031 -12.5031 -12.3321 -12.3321 -12.2442 -12.2442 -8.5091 -8.5091 -7.3823 -7.3823 5.0504 5.0504 5.1721 5.1721 5.7482 5.7482 7.4145 7.4145 7.8357 7.8357 8.0216 8.0216 10.0062 10.0062 10.1459 10.1459 10.9084 10.9084 12.2331 12.2331 12.7332 12.7332 16.9288 16.9288 18.9560 18.9560 k = 0.5871-0.0097-0.1984 ( 3070 PWs) bands (ev): -81.2403 -81.2403 -46.9039 -46.9039 -45.1997 -45.1997 -45.1282 -45.1282 -40.4264 -40.4264 -12.5042 -12.5042 -12.3285 -12.3285 -12.2414 -12.2414 -8.5297 -8.5297 -7.3870 -7.3870 5.0836 5.0836 5.1510 5.1510 5.7384 5.7384 7.4978 7.4978 7.8206 7.8206 8.0428 8.0428 9.9956 9.9956 10.1189 10.1189 10.9075 10.9075 12.2758 12.2758 12.7493 12.7493 16.8908 16.8908 18.8678 18.8678 k = 0.5825-0.0020-0.1836 ( 3072 PWs) bands (ev): -81.2405 -81.2405 -46.9035 -46.9035 -45.1988 -45.1988 -45.1281 -45.1281 -40.4271 -40.4271 -12.5056 -12.5056 -12.3250 -12.3250 -12.2386 -12.2386 -8.5495 -8.5495 -7.3916 -7.3916 5.1177 5.1177 5.1303 5.1303 5.7286 5.7286 7.5816 7.5816 7.7883 7.7883 8.0793 8.0793 9.9842 9.9842 10.0911 10.0911 10.9052 10.9052 12.3201 12.3201 12.7651 12.7651 16.8533 16.8533 18.7825 18.7825 k = 0.5779 0.0057-0.1688 ( 3066 PWs) bands (ev): -81.2404 -81.2404 -46.9029 -46.9029 -45.1979 -45.1979 -45.1279 -45.1279 -40.4278 -40.4278 -12.5070 -12.5070 -12.3216 -12.3216 -12.2358 -12.2358 -8.5683 -8.5683 -7.3961 -7.3961 5.1102 5.1102 5.1529 5.1529 5.7190 5.7190 7.6644 7.6644 7.7485 7.7485 8.1228 8.1228 9.9719 9.9719 10.0637 10.0637 10.9024 10.9024 12.3666 12.3666 12.7806 12.7806 16.8167 16.8167 18.7003 18.7003 k = 0.5733 0.0134-0.1540 ( 3068 PWs) bands (ev): -81.2406 -81.2406 -46.9025 -46.9025 -45.1972 -45.1972 -45.1279 -45.1279 -40.4285 -40.4285 -12.5085 -12.5085 -12.3183 -12.3183 -12.2330 -12.2330 -8.5862 -8.5862 -7.4004 -7.4004 5.0907 5.0907 5.1887 5.1887 5.7094 5.7094 7.6966 7.6966 7.7547 7.7547 8.1688 8.1688 9.9584 9.9584 10.0354 10.0354 10.8981 10.8981 12.4127 12.4127 12.7948 12.7948 16.7808 16.7808 18.6212 18.6212 k = 0.5687 0.0212-0.1392 ( 3070 PWs) bands (ev): -81.2408 -81.2408 -46.9022 -46.9022 -45.1964 -45.1964 -45.1278 -45.1278 -40.4291 -40.4291 -12.5101 -12.5101 -12.3151 -12.3151 -12.2302 -12.2302 -8.6031 -8.6031 -7.4046 -7.4046 5.0719 5.0719 5.2251 5.2251 5.7000 5.7000 7.6512 7.6512 7.8357 7.8357 8.2155 8.2155 9.9437 9.9437 10.0065 10.0065 10.8931 10.8931 12.4594 12.4594 12.8086 12.8086 16.7459 16.7459 18.5456 18.5456 k = 0.5642 0.0289-0.1243 ( 3074 PWs) bands (ev): -81.2411 -81.2411 -46.9018 -46.9018 -45.1957 -45.1957 -45.1277 -45.1277 -40.4297 -40.4297 -12.5118 -12.5118 -12.3120 -12.3120 -12.2275 -12.2275 -8.6191 -8.6191 -7.4086 -7.4086 5.0540 5.0540 5.2618 5.2618 5.6910 5.6910 7.6025 7.6025 7.9179 7.9179 8.2621 8.2621 9.9277 9.9277 9.9775 9.9775 10.8871 10.8871 12.5055 12.5055 12.8216 12.8216 16.7119 16.7119 18.4736 18.4736 k = 0.5596 0.0366-0.1095 ( 3068 PWs) bands (ev): -81.2409 -81.2409 -46.9014 -46.9014 -45.1950 -45.1950 -45.1276 -45.1276 -40.4303 -40.4303 -12.5134 -12.5134 -12.3092 -12.3092 -12.2248 -12.2248 -8.6340 -8.6340 -7.4124 -7.4124 5.0371 5.0371 5.2987 5.2987 5.6824 5.6824 7.5532 7.5532 7.9990 7.9990 8.3081 8.3081 9.9113 9.9113 9.9500 9.9500 10.8813 10.8813 12.5518 12.5518 12.8342 12.8342 16.6792 16.6792 18.4056 18.4056 k = 0.5550 0.0444-0.0947 ( 3070 PWs) bands (ev): -81.2411 -81.2411 -46.9011 -46.9011 -45.1944 -45.1944 -45.1275 -45.1275 -40.4308 -40.4308 -12.5150 -12.5150 -12.3065 -12.3065 -12.2222 -12.2222 -8.6479 -8.6479 -7.4160 -7.4160 5.0212 5.0212 5.3353 5.3353 5.6741 5.6741 7.5040 7.5040 8.0784 8.0784 8.3529 8.3529 9.8932 9.8932 9.9217 9.9217 10.8747 10.8747 12.5963 12.5963 12.8455 12.8455 16.6477 16.6477 18.3417 18.3417 k = 0.5504 0.0521-0.0799 ( 3066 PWs) bands (ev): -81.2410 -81.2410 -46.9007 -46.9007 -45.1938 -45.1938 -45.1274 -45.1274 -40.4313 -40.4313 -12.5165 -12.5165 -12.3041 -12.3041 -12.2197 -12.2197 -8.6608 -8.6608 -7.4194 -7.4194 5.0064 5.0064 5.3718 5.3718 5.6664 5.6664 7.4555 7.4555 8.1557 8.1557 8.3962 8.3962 9.8747 9.8747 9.8940 9.8940 10.8683 10.8683 12.6401 12.6401 12.8565 12.8565 16.6178 16.6178 18.2820 18.2820 k = 0.5458 0.0598-0.0651 ( 3072 PWs) bands (ev): -81.2413 -81.2413 -46.9005 -46.9005 -45.1932 -45.1932 -45.1275 -45.1275 -40.4318 -40.4318 -12.5180 -12.5180 -12.3019 -12.3019 -12.2173 -12.2173 -8.6726 -8.6726 -7.4225 -7.4225 4.9925 4.9925 5.4073 5.4073 5.6592 5.6592 7.4084 7.4084 8.2301 8.2301 8.4376 8.4376 9.8542 9.8542 9.8667 9.8667 10.8605 10.8605 12.6816 12.6816 12.8660 12.8660 16.5894 16.5894 18.2267 18.2267 k = 0.5412 0.0675-0.0502 ( 3068 PWs) bands (ev): -81.2413 -81.2413 -46.9002 -46.9002 -45.1927 -45.1927 -45.1274 -45.1274 -40.4322 -40.4322 -12.5194 -12.5194 -12.2998 -12.2998 -12.2150 -12.2150 -8.6833 -8.6833 -7.4254 -7.4254 4.9799 4.9799 5.4419 5.4419 5.6526 5.6526 7.3631 7.3631 8.3014 8.3014 8.4771 8.4771 9.8329 9.8329 9.8415 9.8415 10.8540 10.8540 12.7213 12.7213 12.8755 12.8755 16.5630 16.5630 18.1762 18.1762 k = 0.5367 0.0753-0.0354 ( 3070 PWs) bands (ev): -81.2414 -81.2414 -46.9000 -46.9000 -45.1923 -45.1923 -45.1273 -45.1273 -40.4326 -40.4326 -12.5206 -12.5206 -12.2981 -12.2981 -12.2129 -12.2129 -8.6930 -8.6930 -7.4280 -7.4280 4.9686 4.9686 5.4748 5.4748 5.6464 5.6464 7.3201 7.3201 8.3685 8.3685 8.5141 8.5141 9.8103 9.8103 9.8179 9.8179 10.8475 10.8475 12.7571 12.7571 12.8837 12.8837 16.5386 16.5386 18.1304 18.1304 k = 0.5321 0.0830-0.0206 ( 3068 PWs) bands (ev): -81.2414 -81.2414 -46.8997 -46.8997 -45.1918 -45.1918 -45.1273 -45.1273 -40.4329 -40.4329 -12.5218 -12.5218 -12.2965 -12.2965 -12.2110 -12.2110 -8.7015 -8.7015 -7.4304 -7.4304 4.9585 4.9585 5.5056 5.5056 5.6412 5.6412 7.2802 7.2802 8.4310 8.4310 8.5484 8.5484 9.7879 9.7879 9.7960 9.7960 10.8412 10.8412 12.7901 12.7901 12.8920 12.8920 16.5164 16.5164 18.0896 18.0896 k = 0.5275 0.0907-0.0058 ( 3068 PWs) bands (ev): -81.2414 -81.2414 -46.8996 -46.8996 -45.1915 -45.1915 -45.1272 -45.1272 -40.4332 -40.4332 -12.5228 -12.5228 -12.2951 -12.2951 -12.2093 -12.2093 -8.7089 -8.7089 -7.4324 -7.4324 4.9498 4.9498 5.5339 5.5339 5.6366 5.6366 7.2438 7.2438 8.4879 8.4879 8.5797 8.5797 9.7664 9.7664 9.7751 9.7751 10.8357 10.8357 12.8189 12.8189 12.8994 12.8994 16.4967 16.4967 18.0541 18.0541 k = 0.5229 0.0985 0.0090 ( 3068 PWs) bands (ev): -81.2415 -81.2415 -46.8994 -46.8994 -45.1912 -45.1912 -45.1272 -45.1272 -40.4335 -40.4335 -12.5237 -12.5237 -12.2940 -12.2940 -12.2078 -12.2078 -8.7152 -8.7152 -7.4342 -7.4342 4.9422 4.9422 5.5590 5.5590 5.6329 5.6329 7.2116 7.2116 8.5381 8.5381 8.6077 8.6077 9.7468 9.7468 9.7563 9.7563 10.8299 10.8299 12.8433 12.8433 12.9066 12.9066 16.4796 16.4796 18.0237 18.0237 k = 0.5183 0.1062 0.0238 ( 3074 PWs) bands (ev): -81.2418 -81.2418 -46.8993 -46.8993 -45.1910 -45.1910 -45.1273 -45.1273 -40.4337 -40.4337 -12.5245 -12.5245 -12.2931 -12.2931 -12.2066 -12.2066 -8.7204 -8.7204 -7.4356 -7.4356 4.9360 4.9360 5.5802 5.5802 5.6299 5.6299 7.1842 7.1842 8.5802 8.5802 8.6323 8.6323 9.7290 9.7290 9.7389 9.7389 10.8248 10.8248 12.8621 12.8621 12.9131 12.9131 16.4654 16.4654 17.9985 17.9985 k = 0.5137 0.1139 0.0387 ( 3076 PWs) bands (ev): -81.2419 -81.2419 -46.8993 -46.8993 -45.1908 -45.1908 -45.1273 -45.1273 -40.4338 -40.4338 -12.5251 -12.5251 -12.2924 -12.2924 -12.2057 -12.2057 -8.7244 -8.7244 -7.4367 -7.4367 4.9311 4.9311 5.5967 5.5967 5.6283 5.6283 7.1621 7.1621 8.6130 8.6130 8.6535 8.6535 9.7147 9.7147 9.7246 9.7246 10.8208 10.8208 12.8760 12.8760 12.9197 12.9197 16.4541 16.4541 17.9789 17.9789 k = 0.5092 0.1216 0.0535 ( 3076 PWs) bands (ev): -81.2419 -81.2419 -46.8992 -46.8992 -45.1907 -45.1907 -45.1272 -45.1272 -40.4340 -40.4340 -12.5255 -12.5255 -12.2919 -12.2919 -12.2050 -12.2050 -8.7273 -8.7273 -7.4375 -7.4375 4.9277 4.9277 5.6077 5.6077 5.6283 5.6283 7.1460 7.1460 8.6356 8.6356 8.6707 8.6707 9.7038 9.7038 9.7140 9.7140 10.8183 10.8183 12.8850 12.8850 12.9257 12.9257 16.4459 16.4459 17.9649 17.9649 k = 0.5046 0.1294 0.0683 ( 3076 PWs) bands (ev): -81.2419 -81.2419 -46.8991 -46.8991 -45.1906 -45.1906 -45.1272 -45.1272 -40.4340 -40.4340 -12.5257 -12.5257 -12.2916 -12.2916 -12.2045 -12.2045 -8.7290 -8.7290 -7.4380 -7.4380 4.9257 4.9257 5.6126 5.6126 5.6298 5.6298 7.1361 7.1361 8.6483 8.6483 8.6823 8.6823 9.6973 9.6973 9.7078 9.7078 10.8172 10.8172 12.8893 12.8893 12.9294 12.9294 16.4410 16.4410 17.9566 17.9566 k = 0.5000 0.1371 0.0831 ( 3082 PWs) bands (ev): -81.2421 -81.2421 -46.8992 -46.8992 -45.1906 -45.1906 -45.1272 -45.1272 -40.4341 -40.4341 -12.5258 -12.5258 -12.2915 -12.2915 -12.2044 -12.2044 -8.7296 -8.7296 -7.4382 -7.4382 4.9250 4.9250 5.6136 5.6136 5.6306 5.6306 7.1328 7.1328 8.6524 8.6524 8.6864 8.6864 9.6949 9.6949 9.7056 9.7056 10.8161 10.8161 12.8899 12.8899 12.9299 12.9299 16.4394 16.4394 17.9537 17.9537 k = 0.5000 0.1371 0.0831 ( 3082 PWs) bands (ev): -81.2421 -81.2421 -46.8992 -46.8992 -45.1906 -45.1906 -45.1272 -45.1272 -40.4341 -40.4341 -12.5258 -12.5258 -12.2915 -12.2915 -12.2044 -12.2044 -8.7296 -8.7296 -7.4382 -7.4382 4.9250 4.9250 5.6136 5.6136 5.6306 5.6306 7.1328 7.1328 8.6524 8.6524 8.6864 8.6864 9.6949 9.6949 9.7056 9.7056 10.8161 10.8161 12.8899 12.8899 12.9299 12.9299 16.4394 16.4394 17.9537 17.9537 k = 0.4839 0.1327 0.0804 ( 3079 PWs) bands (ev): -81.2420 -81.2420 -46.8992 -46.8992 -45.1906 -45.1906 -45.1272 -45.1272 -40.4341 -40.4341 -12.5258 -12.5258 -12.2915 -12.2915 -12.2044 -12.2044 -8.7304 -8.7304 -7.4373 -7.4373 4.9223 4.9223 5.6138 5.6138 5.6307 5.6307 7.1366 7.1366 8.6526 8.6526 8.6866 8.6866 9.6942 9.6942 9.7049 9.7049 10.8169 10.8169 12.8906 12.8906 12.9306 12.9306 16.4315 16.4315 17.9607 17.9607 k = 0.4677 0.1283 0.0778 ( 3067 PWs) bands (ev): -81.2416 -81.2416 -46.8990 -46.8990 -45.1906 -45.1906 -45.1271 -45.1271 -40.4341 -40.4341 -12.5255 -12.5255 -12.2914 -12.2914 -12.2044 -12.2044 -8.7328 -8.7328 -7.4348 -7.4348 4.9147 4.9147 5.6137 5.6137 5.6306 5.6306 7.1480 7.1480 8.6530 8.6530 8.6870 8.6870 9.6948 9.6948 9.7055 9.7055 10.8189 10.8189 12.8906 12.8906 12.9306 12.9306 16.4087 16.4087 17.9816 17.9816 k = 0.4516 0.1238 0.0751 ( 3055 PWs) bands (ev): -81.2411 -81.2411 -46.8989 -46.8989 -45.1905 -45.1905 -45.1269 -45.1269 -40.4341 -40.4341 -12.5250 -12.5250 -12.2913 -12.2913 -12.2044 -12.2044 -8.7367 -8.7367 -7.4307 -7.4307 4.9017 4.9017 5.6138 5.6138 5.6308 5.6308 7.1667 7.1667 8.6537 8.6537 8.6877 8.6877 9.6952 9.6952 9.7059 9.7059 10.8190 10.8190 12.8911 12.8911 12.9311 12.9311 16.3720 16.3720 18.0143 18.0143 k = 0.4355 0.1194 0.0724 ( 3055 PWs) bands (ev): -81.2412 -81.2412 -46.8989 -46.8989 -45.1905 -45.1905 -45.1269 -45.1269 -40.4341 -40.4341 -12.5245 -12.5245 -12.2912 -12.2912 -12.2044 -12.2044 -8.7421 -8.7421 -7.4249 -7.4249 4.8837 4.8837 5.6135 5.6135 5.6304 5.6304 7.1924 7.1924 8.6547 8.6547 8.6887 8.6887 9.6951 9.6951 9.7058 9.7058 10.8175 10.8175 12.8903 12.8903 12.9303 12.9303 16.3233 16.3233 18.0569 18.0569 k = 0.4194 0.1150 0.0697 ( 3055 PWs) bands (ev): -81.2412 -81.2412 -46.8989 -46.8989 -45.1905 -45.1905 -45.1270 -45.1270 -40.4341 -40.4341 -12.5238 -12.5238 -12.2911 -12.2911 -12.2044 -12.2044 -8.7489 -8.7489 -7.4177 -7.4177 4.8615 4.8615 5.6130 5.6130 5.6299 5.6299 7.2245 7.2245 8.6560 8.6560 8.6900 8.6900 9.6951 9.6951 9.7057 9.7057 10.8156 10.8156 12.8894 12.8894 12.9293 12.9293 16.2649 16.2649 18.1075 18.1075 k = 0.4032 0.1106 0.0670 ( 3052 PWs) bands (ev): -81.2411 -81.2411 -46.8989 -46.8989 -45.1905 -45.1905 -45.1269 -45.1269 -40.4341 -40.4341 -12.5230 -12.5230 -12.2909 -12.2909 -12.2044 -12.2044 -8.7570 -8.7570 -7.4092 -7.4092 4.8355 4.8355 5.6124 5.6124 5.6293 5.6293 7.2624 7.2624 8.6575 8.6575 8.6915 8.6915 9.6954 9.6954 9.7061 9.7061 10.8135 10.8135 12.8882 12.8882 12.9282 12.9282 16.1988 16.1988 18.1640 18.1640 k = 0.3871 0.1061 0.0644 ( 3052 PWs) bands (ev): -81.2411 -81.2411 -46.8989 -46.8989 -45.1905 -45.1905 -45.1269 -45.1269 -40.4341 -40.4341 -12.5221 -12.5221 -12.2907 -12.2907 -12.2044 -12.2044 -8.7663 -8.7663 -7.3994 -7.3994 4.8062 4.8062 5.6118 5.6118 5.6286 5.6286 7.3057 7.3057 8.6593 8.6593 8.6933 8.6933 9.6953 9.6953 9.7060 9.7060 10.8108 10.8108 12.8869 12.8869 12.9269 12.9269 16.1267 16.1267 18.2246 18.2246 k = 0.3710 0.1017 0.0617 ( 3052 PWs) bands (ev): -81.2411 -81.2411 -46.8989 -46.8989 -45.1905 -45.1905 -45.1269 -45.1269 -40.4341 -40.4341 -12.5210 -12.5210 -12.2905 -12.2905 -12.2044 -12.2044 -8.7765 -8.7765 -7.3885 -7.3885 4.7743 4.7743 5.6110 5.6110 5.6279 5.6279 7.3535 7.3535 8.6613 8.6613 8.6953 8.6953 9.6952 9.6952 9.7059 9.7059 10.8076 10.8076 12.8854 12.8854 12.9254 12.9254 16.0501 16.0501 18.2875 18.2875 k = 0.3548 0.0973 0.0590 ( 3052 PWs) bands (ev): -81.2411 -81.2411 -46.8989 -46.8989 -45.1905 -45.1905 -45.1269 -45.1269 -40.4341 -40.4341 -12.5198 -12.5198 -12.2903 -12.2903 -12.2044 -12.2044 -8.7877 -8.7877 -7.3767 -7.3767 4.7403 4.7403 5.6102 5.6102 5.6271 5.6271 7.4052 7.4052 8.6635 8.6635 8.6975 8.6975 9.6951 9.6951 9.7058 9.7058 10.8041 10.8041 12.8838 12.8838 12.9237 12.9237 15.9706 15.9706 18.3514 18.3514 k = 0.3387 0.0929 0.0563 ( 3058 PWs) bands (ev): -81.2413 -81.2413 -46.8990 -46.8990 -45.1905 -45.1905 -45.1270 -45.1270 -40.4341 -40.4341 -12.5186 -12.5186 -12.2900 -12.2900 -12.2044 -12.2044 -8.7996 -8.7996 -7.3642 -7.3642 4.7047 4.7047 5.6092 5.6092 5.6260 5.6260 7.4603 7.4603 8.6658 8.6658 8.6999 8.6999 9.6944 9.6944 9.7051 9.7051 10.8000 10.8000 12.8815 12.8815 12.9215 12.9215 15.8890 15.8890 18.4152 18.4152 k = 0.3226 0.0884 0.0536 ( 3064 PWs) bands (ev): -81.2415 -81.2415 -46.8990 -46.8990 -45.1906 -45.1906 -45.1270 -45.1270 -40.4341 -40.4341 -12.5173 -12.5173 -12.2898 -12.2898 -12.2044 -12.2044 -8.8120 -8.8120 -7.3510 -7.3510 4.6679 4.6679 5.6082 5.6082 5.6250 5.6250 7.5180 7.5180 8.6683 8.6683 8.7024 8.7024 9.6935 9.6935 9.7041 9.7041 10.7955 10.7955 12.8794 12.8794 12.9193 12.9193 15.8065 15.8065 18.4778 18.4778 k = 0.3065 0.0840 0.0509 ( 3070 PWs) bands (ev): -81.2418 -81.2418 -46.8991 -46.8991 -45.1906 -45.1906 -45.1271 -45.1271 -40.4341 -40.4341 -12.5159 -12.5159 -12.2895 -12.2895 -12.2044 -12.2044 -8.8248 -8.8248 -7.3374 -7.3374 4.6307 4.6307 5.6071 5.6071 5.6239 5.6239 7.5778 7.5778 8.6710 8.6710 8.7050 8.7050 9.6923 9.6923 9.7030 9.7030 10.7907 10.7907 12.8771 12.8771 12.9171 12.9171 15.7238 15.7238 18.5386 18.5386 k = 0.2903 0.0796 0.0483 ( 3064 PWs) bands (ev): -81.2415 -81.2415 -46.8990 -46.8990 -45.1906 -45.1906 -45.1270 -45.1270 -40.4341 -40.4341 -12.5144 -12.5144 -12.2892 -12.2892 -12.2044 -12.2044 -8.8379 -8.8379 -7.3234 -7.3234 4.5935 4.5935 5.6062 5.6062 5.6230 5.6230 7.6390 7.6390 8.6737 8.6737 8.7078 8.7078 9.6923 9.6923 9.7030 9.7030 10.7861 10.7861 12.8756 12.8756 12.9155 12.9155 15.6415 15.6415 18.5970 18.5970 k = 0.2742 0.0752 0.0456 ( 3064 PWs) bands (ev): -81.2415 -81.2415 -46.8990 -46.8990 -45.1906 -45.1906 -45.1270 -45.1270 -40.4341 -40.4341 -12.5129 -12.5129 -12.2888 -12.2888 -12.2044 -12.2044 -8.8512 -8.8512 -7.3093 -7.3093 4.5563 4.5563 5.6052 5.6052 5.6220 5.6220 7.7012 7.7012 8.6766 8.6766 8.7106 8.7106 9.6922 9.6922 9.7029 9.7029 10.7805 10.7805 12.8734 12.8734 12.9134 12.9134 15.5604 15.5604 18.6523 18.6523 k = 0.2581 0.0708 0.0429 ( 3064 PWs) bands (ev): -81.2415 -81.2415 -46.8990 -46.8990 -45.1906 -45.1906 -45.1270 -45.1270 -40.4341 -40.4341 -12.5114 -12.5114 -12.2885 -12.2885 -12.2044 -12.2044 -8.8644 -8.8644 -7.2952 -7.2952 4.5198 4.5198 5.6041 5.6041 5.6209 5.6209 7.7637 7.7637 8.6794 8.6794 8.7135 8.7135 9.6920 9.6920 9.7027 9.7027 10.7744 10.7744 12.8712 12.8712 12.9112 12.9112 15.4809 15.4809 18.7041 18.7041 k = 0.2419 0.0663 0.0402 ( 3076 PWs) bands (ev): -81.2420 -81.2420 -46.8992 -46.8992 -45.1907 -45.1907 -45.1272 -45.1272 -40.4341 -40.4341 -12.5099 -12.5099 -12.2882 -12.2882 -12.2044 -12.2044 -8.8775 -8.8775 -7.2813 -7.2813 4.4840 4.4840 5.6029 5.6029 5.6196 5.6196 7.8260 7.8260 8.6823 8.6823 8.7164 8.7164 9.6904 9.6904 9.7012 9.7012 10.7677 10.7677 12.8681 12.8681 12.9081 12.9081 15.4034 15.4034 18.7522 18.7522 k = 0.2258 0.0619 0.0375 ( 3088 PWs) bands (ev): -81.2424 -81.2424 -46.8993 -46.8993 -45.1908 -45.1908 -45.1272 -45.1272 -40.4341 -40.4341 -12.5084 -12.5084 -12.2879 -12.2879 -12.2045 -12.2045 -8.8903 -8.8903 -7.2676 -7.2676 4.4495 4.4495 5.6015 5.6015 5.6182 5.6182 7.8876 7.8876 8.6852 8.6852 8.7192 8.7192 9.6892 9.6892 9.7000 9.7000 10.7604 10.7604 12.8648 12.8648 12.9048 12.9048 15.3287 15.3287 18.7966 18.7966 k = 0.2097 0.0575 0.0349 ( 3088 PWs) bands (ev): -81.2424 -81.2424 -46.8993 -46.8993 -45.1908 -45.1908 -45.1272 -45.1272 -40.4341 -40.4341 -12.5069 -12.5069 -12.2875 -12.2875 -12.2045 -12.2045 -8.9028 -8.9028 -7.2544 -7.2544 4.4164 4.4164 5.6004 5.6004 5.6172 5.6172 7.9480 7.9480 8.6881 8.6881 8.7221 8.7221 9.6890 9.6890 9.6998 9.6998 10.7533 10.7533 12.8626 12.8626 12.9026 12.9026 15.2570 15.2570 18.8371 18.8371 k = 0.1935 0.0531 0.0322 ( 3100 PWs) bands (ev): -81.2429 -81.2429 -46.8994 -46.8994 -45.1909 -45.1909 -45.1273 -45.1273 -40.4341 -40.4341 -12.5055 -12.5055 -12.2872 -12.2872 -12.2045 -12.2045 -8.9147 -8.9147 -7.2416 -7.2416 4.3847 4.3847 5.5994 5.5994 5.6161 5.6161 8.0067 8.0067 8.6909 8.6909 8.7249 8.7249 9.6873 9.6873 9.6981 9.6981 10.7449 10.7449 12.8603 12.8603 12.9003 12.9003 15.1887 15.1887 18.8735 18.8735 k = 0.1774 0.0486 0.0295 ( 3100 PWs) bands (ev): -81.2429 -81.2429 -46.8994 -46.8994 -45.1909 -45.1909 -45.1273 -45.1273 -40.4341 -40.4341 -12.5041 -12.5041 -12.2869 -12.2869 -12.2045 -12.2045 -8.9261 -8.9261 -7.2295 -7.2295 4.3552 4.3552 5.5984 5.5984 5.6151 5.6151 8.0631 8.0631 8.6936 8.6936 8.7275 8.7275 9.6871 9.6871 9.6979 9.6979 10.7375 10.7375 12.8582 12.8582 12.8983 12.8983 15.1244 15.1244 18.9063 18.9063 k = 0.1613 0.0442 0.0268 ( 3097 PWs) bands (ev): -81.2428 -81.2428 -46.8994 -46.8994 -45.1908 -45.1908 -45.1274 -45.1274 -40.4341 -40.4341 -12.5028 -12.5028 -12.2865 -12.2865 -12.2044 -12.2044 -8.9367 -8.9367 -7.2180 -7.2180 4.3275 4.3275 5.5976 5.5976 5.6142 5.6142 8.1169 8.1169 8.6961 8.6961 8.7301 8.7301 9.6876 9.6876 9.6985 9.6985 10.7295 10.7295 12.8566 12.8566 12.8967 12.8967 15.0643 15.0643 18.9353 18.9353 k = 0.1452 0.0398 0.0241 ( 3103 PWs) bands (ev): -81.2430 -81.2430 -46.8995 -46.8995 -45.1908 -45.1908 -45.1275 -45.1275 -40.4341 -40.4341 -12.5016 -12.5016 -12.2862 -12.2862 -12.2044 -12.2044 -8.9466 -8.9466 -7.2074 -7.2074 4.3020 4.3020 5.5966 5.5966 5.6133 5.6133 8.1673 8.1673 8.6985 8.6985 8.7324 8.7324 9.6870 9.6870 9.6980 9.6980 10.7215 10.7215 12.8543 12.8543 12.8944 12.8944 15.0087 15.0087 18.9607 18.9607 k = 0.1290 0.0354 0.0215 ( 3103 PWs) bands (ev): -81.2430 -81.2430 -46.8995 -46.8995 -45.1908 -45.1908 -45.1274 -45.1274 -40.4341 -40.4341 -12.5004 -12.5004 -12.2860 -12.2860 -12.2044 -12.2044 -8.9557 -8.9557 -7.1977 -7.1977 4.2789 4.2789 5.5958 5.5958 5.6125 5.6125 8.2141 8.2141 8.7008 8.7008 8.7346 8.7346 9.6868 9.6868 9.6978 9.6978 10.7143 10.7143 12.8526 12.8526 12.8927 12.8927 14.9581 14.9581 18.9829 18.9829 k = 0.1129 0.0310 0.0188 ( 3103 PWs) bands (ev): -81.2430 -81.2430 -46.8995 -46.8995 -45.1908 -45.1908 -45.1274 -45.1274 -40.4341 -40.4341 -12.4994 -12.4994 -12.2857 -12.2857 -12.2044 -12.2044 -8.9639 -8.9639 -7.1890 -7.1890 4.2583 4.2583 5.5951 5.5951 5.6117 5.6117 8.2568 8.2568 8.7029 8.7029 8.7366 8.7366 9.6867 9.6867 9.6977 9.6977 10.7074 10.7074 12.8511 12.8511 12.8912 12.8912 14.9127 14.9127 19.0018 19.0018 k = 0.0968 0.0265 0.0161 ( 3097 PWs) bands (ev): -81.2428 -81.2428 -46.8994 -46.8994 -45.1908 -45.1908 -45.1274 -45.1274 -40.4341 -40.4341 -12.4984 -12.4984 -12.2854 -12.2854 -12.2044 -12.2044 -8.9710 -8.9710 -7.1813 -7.1813 4.2403 4.2403 5.5945 5.5945 5.6112 5.6112 8.2948 8.2948 8.7047 8.7047 8.7384 8.7384 9.6873 9.6873 9.6984 9.6984 10.7011 10.7011 12.8503 12.8503 12.8904 12.8904 14.8727 14.8727 19.0178 19.0178 k = 0.0806 0.0221 0.0134 ( 3097 PWs) bands (ev): -81.2428 -81.2428 -46.8994 -46.8994 -45.1908 -45.1908 -45.1274 -45.1274 -40.4341 -40.4341 -12.4976 -12.4976 -12.2852 -12.2852 -12.2044 -12.2044 -8.9772 -8.9772 -7.1746 -7.1746 4.2249 4.2249 5.5940 5.5940 5.6106 5.6106 8.3277 8.3277 8.7063 8.7063 8.7400 8.7400 9.6872 9.6872 9.6983 9.6983 10.6954 10.6954 12.8491 12.8491 12.8892 12.8892 14.8384 14.8384 19.0310 19.0310 k = 0.0645 0.0177 0.0107 ( 3094 PWs) bands (ev): -81.2427 -81.2427 -46.8994 -46.8994 -45.1907 -45.1907 -45.1273 -45.1273 -40.4341 -40.4341 -12.4970 -12.4970 -12.2850 -12.2850 -12.2044 -12.2044 -8.9823 -8.9823 -7.1692 -7.1692 4.2122 4.2122 5.5936 5.5936 5.6102 5.6102 8.3553 8.3553 8.7077 8.7077 8.7412 8.7412 9.6873 9.6873 9.6985 9.6985 10.6907 10.6907 12.8485 12.8485 12.8886 12.8886 14.8101 14.8101 19.0416 19.0416 k = 0.0484 0.0133 0.0080 ( 3094 PWs) bands (ev): -81.2427 -81.2427 -46.8994 -46.8994 -45.1907 -45.1907 -45.1273 -45.1273 -40.4341 -40.4341 -12.4964 -12.4964 -12.2849 -12.2849 -12.2044 -12.2044 -8.9863 -8.9863 -7.1648 -7.1648 4.2023 4.2023 5.5932 5.5932 5.6098 5.6098 8.3770 8.3770 8.7087 8.7087 8.7422 8.7422 9.6873 9.6873 9.6984 9.6984 10.6867 10.6867 12.8478 12.8478 12.8878 12.8878 14.7879 14.7879 19.0496 19.0496 k = 0.0323 0.0088 0.0054 ( 3097 PWs) bands (ev): -81.2428 -81.2428 -46.8994 -46.8994 -45.1908 -45.1908 -45.1274 -45.1274 -40.4341 -40.4341 -12.4961 -12.4961 -12.2848 -12.2848 -12.2044 -12.2044 -8.9892 -8.9892 -7.1618 -7.1618 4.1951 4.1951 5.5930 5.5930 5.6096 5.6096 8.3928 8.3928 8.7095 8.7095 8.7430 8.7430 9.6867 9.6867 9.6978 9.6978 10.6838 10.6838 12.8472 12.8472 12.8873 12.8873 14.7719 14.7719 19.0553 19.0553 k = 0.0161 0.0044 0.0027 ( 3100 PWs) bands (ev): -81.2429 -81.2429 -46.8994 -46.8994 -45.1908 -45.1908 -45.1274 -45.1274 -40.4341 -40.4341 -12.4959 -12.4959 -12.2847 -12.2847 -12.2044 -12.2044 -8.9909 -8.9909 -7.1599 -7.1599 4.1908 4.1908 5.5928 5.5928 5.6094 5.6094 8.4023 8.4023 8.7100 8.7100 8.7434 8.7434 9.6865 9.6865 9.6977 9.6977 10.6811 10.6811 12.8469 12.8469 12.8870 12.8870 14.7622 14.7622 19.0586 19.0586 k = 0.0000 0.0000 0.0000 ( 3093 PWs) bands (ev): -81.2426 -81.2426 -46.8993 -46.8993 -45.1907 -45.1907 -45.1273 -45.1273 -40.4341 -40.4341 -12.4958 -12.4958 -12.2847 -12.2847 -12.2044 -12.2044 -8.9915 -8.9915 -7.1593 -7.1593 4.1894 4.1894 5.5930 5.5930 5.6096 5.6096 8.4055 8.4055 8.7102 8.7102 8.7436 8.7436 9.6873 9.6873 9.6985 9.6985 10.6804 10.6804 12.8476 12.8476 12.8877 12.8877 14.7591 14.7591 19.0597 19.0597 k = 0.0000 0.0000 0.0000 ( 3093 PWs) bands (ev): -81.2426 -81.2426 -46.8993 -46.8993 -45.1907 -45.1907 -45.1273 -45.1273 -40.4341 -40.4341 -12.4958 -12.4958 -12.2847 -12.2847 -12.2044 -12.2044 -8.9915 -8.9915 -7.1593 -7.1593 4.1894 4.1894 5.5930 5.5930 5.6096 5.6096 8.4055 8.4055 8.7102 8.7102 8.7436 8.7436 9.6873 9.6873 9.6985 9.6985 10.6804 10.6804 12.8476 12.8476 12.8877 12.8877 14.7591 14.7591 19.0597 19.0597 k = 0.0046-0.0077-0.0147 ( 3095 PWs) bands (ev): -81.2427 -81.2427 -46.8994 -46.8994 -45.1908 -45.1908 -45.1273 -45.1273 -40.4341 -40.4341 -12.4957 -12.4957 -12.2848 -12.2848 -12.2046 -12.2046 -8.9908 -8.9908 -7.1593 -7.1593 4.1904 4.1904 5.5925 5.5925 5.6092 5.6092 8.4064 8.4064 8.7058 8.7058 8.7391 8.7391 9.6894 9.6894 9.7004 9.7004 10.6812 10.6812 12.8462 12.8462 12.8863 12.8863 14.7618 14.7618 19.0627 19.0627 k = 0.0091-0.0154-0.0295 ( 3097 PWs) bands (ev): -81.2428 -81.2428 -46.8994 -46.8994 -45.1909 -45.1909 -45.1274 -45.1274 -40.4340 -40.4340 -12.4956 -12.4956 -12.2851 -12.2851 -12.2050 -12.2050 -8.9885 -8.9885 -7.1595 -7.1595 4.1934 4.1934 5.5910 5.5910 5.6086 5.6086 8.4090 8.4090 8.6921 8.6921 8.7268 8.7268 9.6968 9.6968 9.7074 9.7074 10.6819 10.6819 12.8423 12.8423 12.8828 12.8828 14.7702 14.7702 19.0715 19.0715 k = 0.0137-0.0231-0.0442 ( 3099 PWs) bands (ev): -81.2428 -81.2428 -46.8995 -46.8995 -45.1910 -45.1910 -45.1274 -45.1274 -40.4339 -40.4339 -12.4954 -12.4954 -12.2856 -12.2856 -12.2057 -12.2057 -8.9847 -8.9847 -7.1597 -7.1597 4.1984 4.1984 5.5875 5.5875 5.6085 5.6085 8.4133 8.4133 8.6679 8.6679 8.7088 8.7088 9.7089 9.7089 9.7187 9.7187 10.6830 10.6830 12.8355 12.8355 12.8775 12.8775 14.7841 14.7841 19.0861 19.0861 k = 0.0182-0.0308-0.0590 ( 3101 PWs) bands (ev): -81.2429 -81.2429 -46.8996 -46.8996 -45.1912 -45.1912 -45.1274 -45.1274 -40.4338 -40.4338 -12.4950 -12.4950 -12.2863 -12.2863 -12.2067 -12.2067 -8.9795 -8.9795 -7.1601 -7.1601 4.2053 4.2053 5.5815 5.5815 5.6098 5.6098 8.4190 8.4190 8.6327 8.6327 8.6870 8.6870 9.7246 9.7246 9.7336 9.7336 10.6846 10.6846 12.8257 12.8257 12.8716 12.8716 14.8035 14.8035 19.1064 19.1064 k = 0.0228-0.0384-0.0737 ( 3101 PWs) bands (ev): -81.2428 -81.2428 -46.8998 -46.8998 -45.1915 -45.1915 -45.1275 -45.1275 -40.4336 -40.4336 -12.4947 -12.4947 -12.2872 -12.2872 -12.2080 -12.2080 -8.9727 -8.9727 -7.1606 -7.1606 4.2143 4.2143 5.5731 5.5731 5.6124 5.6124 8.4256 8.4256 8.5877 8.5877 8.6621 8.6621 9.7438 9.7438 9.7517 9.7517 10.6868 10.6868 12.8123 12.8123 12.8651 12.8651 14.8282 14.8282 19.1322 19.1322 k = 0.0274-0.0461-0.0884 ( 3099 PWs) bands (ev): -81.2427 -81.2427 -46.8999 -46.8999 -45.1917 -45.1917 -45.1275 -45.1275 -40.4333 -40.4333 -12.4942 -12.4942 -12.2883 -12.2883 -12.2094 -12.2094 -8.9645 -8.9645 -7.1612 -7.1612 4.2252 4.2252 5.5627 5.5627 5.6162 5.6162 8.4323 8.4323 8.5349 8.5349 8.6346 8.6346 9.7654 9.7654 9.7723 9.7723 10.6896 10.6896 12.7954 12.7954 12.8584 12.8584 14.8582 14.8582 19.1634 19.1634 k = 0.0319-0.0538-0.1032 ( 3097 PWs) bands (ev): -81.2426 -81.2426 -46.9001 -46.9001 -45.1921 -45.1921 -45.1275 -45.1275 -40.4330 -40.4330 -12.4936 -12.4936 -12.2896 -12.2896 -12.2112 -12.2112 -8.9548 -8.9548 -7.1618 -7.1618 4.2380 4.2380 5.5502 5.5502 5.6207 5.6207 8.4355 8.4355 8.4779 8.4779 8.6055 8.6055 9.7883 9.7883 9.7952 9.7952 10.6932 10.6932 12.7751 12.7751 12.8510 12.8510 14.8932 14.8932 19.1996 19.1996 k = 0.0365-0.0615-0.1179 ( 3093 PWs) bands (ev): -81.2424 -81.2424 -46.9002 -46.9002 -45.1924 -45.1924 -45.1276 -45.1276 -40.4327 -40.4327 -12.4930 -12.4930 -12.2911 -12.2911 -12.2131 -12.2131 -8.9436 -8.9436 -7.1626 -7.1626 4.2528 4.2528 5.5363 5.5363 5.6260 5.6260 8.4004 8.4004 8.4507 8.4507 8.5772 8.5772 9.8112 9.8112 9.8210 9.8210 10.6968 10.6968 12.7525 12.7525 12.8431 12.8431 14.9331 14.9331 19.2406 19.2406 k = 0.0410-0.0692-0.1327 ( 3091 PWs) bands (ev): -81.2422 -81.2422 -46.9004 -46.9004 -45.1928 -45.1928 -45.1276 -45.1276 -40.4323 -40.4323 -12.4924 -12.4924 -12.2929 -12.2929 -12.2152 -12.2152 -8.9310 -8.9310 -7.1635 -7.1635 4.2694 4.2694 5.5206 5.5206 5.6320 5.6320 8.3315 8.3315 8.4449 8.4449 8.5545 8.5545 9.8335 9.8335 9.8491 9.8491 10.7004 10.7004 12.7268 12.7268 12.8341 12.8341 14.9777 14.9777 19.2861 19.2861 k = 0.0456-0.0769-0.1474 ( 3091 PWs) bands (ev): -81.2421 -81.2421 -46.9007 -46.9007 -45.1933 -45.1933 -45.1277 -45.1277 -40.4319 -40.4319 -12.4917 -12.4917 -12.2948 -12.2948 -12.2175 -12.2175 -8.9171 -8.9171 -7.1645 -7.1645 4.2880 4.2880 5.5035 5.5035 5.6387 5.6387 8.2561 8.2561 8.4280 8.4280 8.5434 8.5434 9.8550 9.8550 9.8785 9.8785 10.7042 10.7042 12.6983 12.6983 12.8244 12.8244 15.0267 15.0267 19.3358 19.3358 k = 0.0501-0.0846-0.1622 ( 3095 PWs) bands (ev): -81.2422 -81.2422 -46.9010 -46.9010 -45.1939 -45.1939 -45.1278 -45.1278 -40.4315 -40.4315 -12.4910 -12.4910 -12.2970 -12.2970 -12.2199 -12.2199 -8.9017 -8.9017 -7.1656 -7.1656 4.3084 4.3084 5.4853 5.4853 5.6458 5.6458 8.1765 8.1765 8.3978 8.3978 8.5442 8.5442 9.8751 9.8751 9.9087 9.9087 10.7081 10.7081 12.6681 12.6681 12.8128 12.8128 15.0800 15.0800 19.3894 19.3894 k = 0.0547-0.0923-0.1769 ( 3089 PWs) bands (ev): -81.2419 -81.2419 -46.9013 -46.9013 -45.1944 -45.1944 -45.1278 -45.1278 -40.4310 -40.4310 -12.4903 -12.4903 -12.2994 -12.2994 -12.2224 -12.2224 -8.8850 -8.8850 -7.1668 -7.1668 4.3306 4.3306 5.4664 5.4664 5.6537 5.6537 8.0938 8.0938 8.3592 8.3592 8.5519 8.5519 9.8952 9.8952 9.9403 9.9403 10.7126 10.7126 12.6377 12.6377 12.8013 12.8013 15.1372 15.1372 19.4464 19.4464 k = 0.0593-0.0999-0.1916 ( 3087 PWs) bands (ev): -81.2417 -81.2417 -46.9016 -46.9016 -45.1950 -45.1950 -45.1279 -45.1279 -40.4304 -40.4304 -12.4896 -12.4896 -12.3020 -12.3020 -12.2250 -12.2250 -8.8670 -8.8670 -7.1681 -7.1681 4.3546 4.3546 5.4465 5.4465 5.6620 5.6620 8.0084 8.0084 8.3158 8.3158 8.5628 8.5628 9.9139 9.9139 9.9719 9.9719 10.7170 10.7170 12.6060 12.6060 12.7883 12.7883 15.1981 15.1981 19.5066 19.5066 k = 0.0638-0.1076-0.2064 ( 3087 PWs) bands (ev): -81.2416 -81.2416 -46.9020 -46.9020 -45.1957 -45.1957 -45.1280 -45.1280 -40.4299 -40.4299 -12.4890 -12.4890 -12.3048 -12.3048 -12.2276 -12.2276 -8.8477 -8.8477 -7.1695 -7.1695 4.3803 4.3803 5.4259 5.4259 5.6707 5.6707 7.9207 7.9207 8.2694 8.2694 8.5750 8.5750 9.9317 9.9317 10.0034 10.0034 10.7212 10.7212 12.5736 12.5736 12.7742 12.7742 15.2625 15.2625 19.5695 19.5695 k = 0.0684-0.1153-0.2211 ( 3085 PWs) bands (ev): -81.2414 -81.2414 -46.9023 -46.9023 -45.1964 -45.1964 -45.1280 -45.1280 -40.4292 -40.4292 -12.4883 -12.4883 -12.3077 -12.3077 -12.2303 -12.2303 -8.8271 -8.8271 -7.1710 -7.1710 4.4078 4.4078 5.4048 5.4048 5.6797 5.6797 7.8313 7.8313 8.2210 8.2210 8.5874 8.5874 9.9483 9.9483 10.0352 10.0352 10.7256 10.7256 12.5414 12.5414 12.7591 12.7591 15.3301 15.3301 19.6348 19.6348 k = 0.0729-0.1230-0.2359 ( 3083 PWs) bands (ev): -81.2412 -81.2412 -46.9027 -46.9027 -45.1971 -45.1971 -45.1281 -45.1281 -40.4286 -40.4286 -12.4878 -12.4878 -12.3108 -12.3108 -12.2330 -12.2330 -8.8054 -8.8054 -7.1726 -7.1726 4.4369 4.4369 5.3834 5.3834 5.6891 5.6891 7.7406 7.7406 8.1711 8.1711 8.5993 8.5993 9.9640 9.9640 10.0672 10.0672 10.7296 10.7296 12.5091 12.5091 12.7430 12.7430 15.4006 15.4006 19.7022 19.7022 k = 0.0775-0.1307-0.2506 ( 3081 PWs) bands (ev): -81.2410 -81.2410 -46.9031 -46.9031 -45.1979 -45.1979 -45.1282 -45.1282 -40.4279 -40.4279 -12.4874 -12.4874 -12.3141 -12.3141 -12.2358 -12.2358 -8.7824 -8.7824 -7.1743 -7.1743 4.4675 4.4675 5.3618 5.3618 5.6986 5.6986 7.6489 7.6489 8.1200 8.1200 8.6104 8.6104 9.9786 9.9786 10.0988 10.0988 10.7335 10.7335 12.4776 12.4776 12.7260 12.7260 15.4739 15.4739 19.7711 19.7711 k = 0.0821-0.1384-0.2653 ( 3075 PWs) bands (ev): -81.2407 -81.2407 -46.9035 -46.9035 -45.1987 -45.1987 -45.1282 -45.1282 -40.4272 -40.4272 -12.4871 -12.4871 -12.3174 -12.3174 -12.2385 -12.2385 -8.7583 -8.7583 -7.1761 -7.1761 4.4998 4.4998 5.3402 5.3402 5.7083 5.7083 7.5566 7.5566 8.0681 8.0681 8.6202 8.6202 9.9920 9.9920 10.1306 10.1306 10.7376 10.7376 12.4473 12.4473 12.7084 12.7084 15.5496 15.5496 19.8413 19.8413 k = 0.0866-0.1461-0.2801 ( 3071 PWs) bands (ev): -81.2404 -81.2404 -46.9039 -46.9039 -45.1995 -45.1995 -45.1283 -45.1283 -40.4265 -40.4265 -12.4870 -12.4870 -12.3208 -12.3208 -12.2411 -12.2411 -8.7331 -8.7331 -7.1780 -7.1780 4.5335 4.5335 5.3187 5.3187 5.7180 5.7180 7.4640 7.4640 8.0152 8.0152 8.6283 8.6283 10.0052 10.0052 10.1613 10.1613 10.7410 10.7410 12.4179 12.4179 12.6898 12.6898 15.6275 15.6275 19.9124 19.9124 k = 0.0912-0.1538-0.2948 ( 3069 PWs) bands (ev): -81.2402 -81.2402 -46.9043 -46.9043 -45.2004 -45.2004 -45.1284 -45.1284 -40.4257 -40.4257 -12.4870 -12.4870 -12.3242 -12.3242 -12.2438 -12.2438 -8.7069 -8.7069 -7.1800 -7.1800 4.5687 4.5687 5.2973 5.2973 5.7273 5.7273 7.3714 7.3714 7.9617 7.9617 8.6347 8.6347 10.0169 10.0169 10.1915 10.1915 10.7444 10.7444 12.3899 12.3899 12.6699 12.6699 15.7074 15.7074 19.9839 19.9839 k = 0.0957-0.1614-0.3096 ( 3071 PWs) bands (ev): -81.2401 -81.2401 -46.9048 -46.9048 -45.2013 -45.2013 -45.1285 -45.1285 -40.4250 -40.4250 -12.4873 -12.4873 -12.3275 -12.3275 -12.2464 -12.2464 -8.6797 -8.6797 -7.1821 -7.1821 4.6051 4.6051 5.2763 5.2763 5.7363 5.7363 7.2792 7.2792 7.9077 7.9077 8.6389 8.6389 10.0269 10.0269 10.2209 10.2209 10.7470 10.7470 12.3641 12.3641 12.6489 12.6489 15.7891 15.7891 20.0554 20.0554 k = 0.1003-0.1691-0.3243 ( 3073 PWs) bands (ev): -81.2401 -81.2401 -46.9054 -46.9054 -45.2023 -45.2023 -45.1286 -45.1286 -40.4242 -40.4242 -12.4879 -12.4879 -12.3309 -12.3309 -12.2490 -12.2490 -8.6515 -8.6515 -7.1842 -7.1842 4.6429 4.6429 5.2557 5.2557 5.7447 5.7447 7.1877 7.1877 7.8533 7.8533 8.6407 8.6407 10.0373 10.0373 10.2493 10.2493 10.7486 10.7486 12.3398 12.3398 12.6271 12.6271 15.8725 15.8725 20.1267 20.1267 k = 0.1048-0.1768-0.3391 ( 3065 PWs) bands (ev): -81.2396 -81.2396 -46.9058 -46.9058 -45.2032 -45.2032 -45.1286 -45.1286 -40.4233 -40.4233 -12.4888 -12.4888 -12.3340 -12.3340 -12.2516 -12.2516 -8.6224 -8.6224 -7.1865 -7.1865 4.6818 4.6818 5.2358 5.2358 5.7528 5.7528 7.0974 7.0974 7.7990 7.7990 8.6401 8.6401 10.0465 10.0465 10.2783 10.2783 10.7505 10.7505 12.3187 12.3187 12.6056 12.6056 15.9573 15.9573 20.1973 20.1973 k = 0.1094-0.1845-0.3538 ( 3061 PWs) bands (ev): -81.2393 -81.2393 -46.9063 -46.9063 -45.2042 -45.2042 -45.1287 -45.1287 -40.4225 -40.4225 -12.4900 -12.4900 -12.3370 -12.3370 -12.2541 -12.2541 -8.5925 -8.5925 -7.1888 -7.1888 4.7218 4.7218 5.2164 5.2164 5.7599 5.7599 7.0087 7.0087 7.7445 7.7445 8.6368 8.6368 10.0550 10.0550 10.3061 10.3061 10.7515 10.7515 12.2996 12.2996 12.5833 12.5833 16.0434 16.0434 20.2668 20.2668 k = 0.1140-0.1922-0.3685 ( 3064 PWs) bands (ev): -81.2393 -81.2393 -46.9069 -46.9069 -45.2053 -45.2053 -45.1288 -45.1288 -40.4216 -40.4216 -12.4915 -12.4915 -12.3398 -12.3398 -12.2566 -12.2566 -8.5617 -8.5617 -7.1913 -7.1913 4.7627 4.7627 5.1976 5.1976 5.7655 5.7655 6.9218 6.9218 7.6898 7.6898 8.6307 8.6307 10.0627 10.0627 10.3325 10.3325 10.7513 10.7513 12.2825 12.2825 12.5598 12.5598 16.1306 16.1306 20.3348 20.3348 k = 0.1185-0.1999-0.3833 ( 3070 PWs) bands (ev): -81.2393 -81.2393 -46.9075 -46.9075 -45.2064 -45.2064 -45.1290 -45.1290 -40.4207 -40.4207 -12.4935 -12.4935 -12.3424 -12.3424 -12.2591 -12.2591 -8.5303 -8.5303 -7.1938 -7.1938 4.8045 4.8045 5.1794 5.1794 5.7698 5.7698 6.8374 6.8374 7.6351 7.6351 8.6217 8.6217 10.0697 10.0697 10.3572 10.3572 10.7501 10.7501 12.2673 12.2673 12.5365 12.5365 16.2188 16.2188 20.4010 20.4010 k = 0.1231-0.2076-0.3980 ( 3064 PWs) bands (ev): -81.2390 -81.2390 -46.9080 -46.9080 -45.2074 -45.2074 -45.1291 -45.1291 -40.4198 -40.4198 -12.4957 -12.4957 -12.3447 -12.3447 -12.2615 -12.2615 -8.4981 -8.4981 -7.1964 -7.1964 4.8469 4.8469 5.1624 5.1624 5.7724 5.7724 6.7561 6.7561 7.5809 7.5809 8.6099 8.6099 10.0764 10.0764 10.3824 10.3824 10.7491 10.7491 12.2560 12.2560 12.5136 12.5136 16.3080 16.3080 20.4650 20.4650 k = 0.1276-0.2153-0.4128 ( 3064 PWs) bands (ev): -81.2388 -81.2388 -46.9086 -46.9086 -45.2085 -45.2085 -45.1292 -45.1292 -40.4189 -40.4189 -12.4984 -12.4984 -12.3468 -12.3468 -12.2638 -12.2638 -8.4653 -8.4653 -7.1991 -7.1991 4.8898 4.8898 5.1463 5.1463 5.7727 5.7727 6.6783 6.6783 7.5268 7.5268 8.5951 8.5951 10.0824 10.0824 10.4066 10.4066 10.7463 10.7463 12.2470 12.2470 12.4901 12.4901 16.3978 16.3978 20.5263 20.5263 k = 0.1322-0.2229-0.4275 ( 3064 PWs) bands (ev): -81.2387 -81.2387 -46.9092 -46.9092 -45.2096 -45.2096 -45.1293 -45.1293 -40.4180 -40.4180 -12.5014 -12.5014 -12.3485 -12.3485 -12.2661 -12.2661 -8.4320 -8.4320 -7.2018 -7.2018 4.9330 4.9330 5.1309 5.1309 5.7702 5.7702 6.6046 6.6046 7.4732 7.4732 8.5774 8.5774 10.0882 10.0882 10.4297 10.4297 10.7428 10.7428 12.2399 12.2399 12.4669 12.4669 16.4884 16.4884 20.5847 20.5847 k = 0.1368-0.2306-0.4422 ( 3064 PWs) bands (ev): -81.2385 -81.2385 -46.9098 -46.9098 -45.2107 -45.2107 -45.1294 -45.1294 -40.4171 -40.4171 -12.5048 -12.5048 -12.3501 -12.3501 -12.2683 -12.2683 -8.3981 -8.3981 -7.2047 -7.2047 4.9760 4.9760 5.1166 5.1166 5.7648 5.7648 6.5360 6.5360 7.4200 7.4200 8.5568 8.5568 10.0935 10.0935 10.4517 10.4517 10.7381 10.7381 12.2356 12.2356 12.4441 12.4441 16.5795 16.5795 20.6397 20.6397 k = 0.1413-0.2383-0.4570 ( 3066 PWs) bands (ev): -81.2384 -81.2384 -46.9104 -46.9104 -45.2118 -45.2118 -45.1295 -45.1295 -40.4162 -40.4162 -12.5084 -12.5084 -12.3514 -12.3514 -12.2705 -12.2705 -8.3639 -8.3639 -7.2076 -7.2076 5.0186 5.0186 5.1033 5.1033 5.7559 5.7559 6.4731 6.4731 7.3673 7.3673 8.5335 8.5335 10.0986 10.0986 10.4722 10.4722 10.7324 10.7324 12.2335 12.2335 12.4216 12.4216 16.6712 16.6712 20.6911 20.6911 k = 0.1459-0.2460-0.4717 ( 3066 PWs) bands (ev): -81.2382 -81.2382 -46.9110 -46.9110 -45.2129 -45.2129 -45.1296 -45.1296 -40.4152 -40.4152 -12.5124 -12.5124 -12.3524 -12.3524 -12.2726 -12.2726 -8.3292 -8.3292 -7.2105 -7.2105 5.0601 5.0601 5.0910 5.0910 5.7436 5.7436 6.4164 6.4164 7.3154 7.3154 8.5075 8.5075 10.1034 10.1034 10.4920 10.4920 10.7256 10.7256 12.2338 12.2338 12.3998 12.3998 16.7632 16.7632 20.7385 20.7385 k = 0.1504-0.2537-0.4865 ( 3066 PWs) bands (ev): -81.2381 -81.2381 -46.9116 -46.9116 -45.2141 -45.2141 -45.1297 -45.1297 -40.4143 -40.4143 -12.5165 -12.5165 -12.3534 -12.3534 -12.2746 -12.2746 -8.2942 -8.2942 -7.2136 -7.2136 5.0798 5.0798 5.0998 5.0998 5.7280 5.7280 6.3666 6.3666 7.2642 7.2642 8.4789 8.4789 10.1079 10.1079 10.5106 10.5106 10.7179 10.7179 12.2361 12.2361 12.3787 12.3787 16.8557 16.8557 20.7817 20.7817 k = 0.1550-0.2614-0.5012 ( 3068 PWs) bands (ev): -81.2380 -81.2380 -46.9122 -46.9122 -45.2152 -45.2152 -45.1298 -45.1298 -40.4133 -40.4133 -12.5209 -12.5209 -12.3542 -12.3542 -12.2764 -12.2764 -8.2590 -8.2590 -7.2167 -7.2167 5.0697 5.0697 5.1366 5.1366 5.7100 5.7100 6.3236 6.3236 7.2140 7.2140 8.4478 8.4478 10.1123 10.1123 10.5279 10.5279 10.7091 10.7091 12.2397 12.2397 12.3583 12.3583 16.9484 16.9484 20.8203 20.8203 k = 0.1596-0.2691-0.5160 ( 3070 PWs) bands (ev): -81.2379 -81.2379 -46.9128 -46.9128 -45.2163 -45.2163 -45.1299 -45.1299 -40.4124 -40.4124 -12.5254 -12.5254 -12.3549 -12.3549 -12.2782 -12.2782 -8.2237 -8.2237 -7.2198 -7.2198 5.0607 5.0607 5.1688 5.1688 5.6916 5.6916 6.2872 6.2872 7.1647 7.1647 8.4145 8.4145 10.1165 10.1165 10.5435 10.5435 10.6994 10.6994 12.2454 12.2454 12.3388 12.3388 17.0414 17.0414 20.8543 20.8543 k = 0.1641-0.2768-0.5307 ( 3074 PWs) bands (ev): -81.2379 -81.2379 -46.9134 -46.9134 -45.2174 -45.2174 -45.1301 -45.1301 -40.4115 -40.4115 -12.5300 -12.5300 -12.3556 -12.3556 -12.2798 -12.2798 -8.1882 -8.1882 -7.2230 -7.2230 5.0527 5.0527 5.1944 5.1944 5.6754 5.6754 6.2568 6.2568 7.1163 7.1163 8.3791 8.3791 10.1205 10.1205 10.5566 10.5566 10.6894 10.6894 12.2522 12.2522 12.3205 12.3205 17.1346 17.1346 20.8835 20.8835 k = 0.1687-0.2845-0.5454 ( 3074 PWs) bands (ev): -81.2377 -81.2377 -46.9140 -46.9140 -45.2185 -45.2185 -45.1302 -45.1302 -40.4106 -40.4106 -12.5346 -12.5346 -12.3563 -12.3563 -12.2813 -12.2813 -8.1527 -8.1527 -7.2263 -7.2263 5.0458 5.0458 5.2106 5.2106 5.6648 5.6648 6.2316 6.2316 7.0693 7.0693 8.3417 8.3417 10.1248 10.1248 10.5674 10.5674 10.6804 10.6804 12.2600 12.2600 12.3041 12.3041 17.2280 17.2280 20.9078 20.9078 k = 0.1732-0.2921-0.5602 ( 3070 PWs) bands (ev): -81.2374 -81.2374 -46.9145 -46.9145 -45.2196 -45.2196 -45.1303 -45.1303 -40.4097 -40.4097 -12.5393 -12.5393 -12.3571 -12.3571 -12.2825 -12.2825 -8.1172 -8.1172 -7.2296 -7.2296 5.0401 5.0401 5.2153 5.2153 5.6630 5.6630 6.2106 6.2106 7.0236 7.0236 8.3026 8.3026 10.1293 10.1293 10.5745 10.5745 10.6734 10.6734 12.2672 12.2672 12.2913 12.2913 17.3214 17.3214 20.9273 20.9273 k = 0.1778-0.2998-0.5749 ( 3074 PWs) bands (ev): -81.2374 -81.2374 -46.9151 -46.9151 -45.2207 -45.2207 -45.1304 -45.1304 -40.4088 -40.4088 -12.5440 -12.5440 -12.3580 -12.3580 -12.2836 -12.2836 -8.0818 -8.0818 -7.2330 -7.2330 5.0352 5.0352 5.2075 5.2075 5.6720 5.6720 6.1924 6.1924 6.9791 6.9791 8.2618 8.2618 10.1335 10.1335 10.5756 10.5756 10.6688 10.6688 12.2640 12.2640 12.2896 12.2896 17.4150 17.4150 20.9418 20.9418 k = 0.1823-0.3075-0.5897 ( 3074 PWs) bands (ev): -81.2372 -81.2372 -46.9157 -46.9157 -45.2217 -45.2217 -45.1305 -45.1305 -40.4079 -40.4079 -12.5486 -12.5486 -12.3590 -12.3590 -12.2845 -12.2845 -8.0466 -8.0466 -7.2363 -7.2363 5.0313 5.0313 5.1883 5.1883 5.6914 5.6914 6.1766 6.1766 6.9363 6.9363 8.2195 8.2195 10.1380 10.1380 10.5708 10.5708 10.6689 10.6689 12.2534 12.2534 12.2977 12.2977 17.5086 17.5086 20.9515 20.9515 k = 0.1869-0.3152-0.6044 ( 3074 PWs) bands (ev): -81.2370 -81.2370 -46.9162 -46.9162 -45.2227 -45.2227 -45.1306 -45.1306 -40.4070 -40.4070 -12.5531 -12.5531 -12.3603 -12.3603 -12.2851 -12.2851 -8.0117 -8.0117 -7.2398 -7.2398 5.0283 5.0283 5.1604 5.1604 5.7193 5.7193 6.1621 6.1621 6.8952 6.8952 8.1760 8.1760 10.1429 10.1429 10.5603 10.5603 10.6725 10.6725 12.2417 12.2417 12.3083 12.3083 17.6022 17.6022 20.9566 20.9566 k = 0.1915-0.3229-0.6191 ( 3064 PWs) bands (ev): -81.2365 -81.2365 -46.9167 -46.9167 -45.2236 -45.2236 -45.1306 -45.1306 -40.4061 -40.4061 -12.5574 -12.5574 -12.3617 -12.3617 -12.2856 -12.2856 -7.9771 -7.9771 -7.2432 -7.2432 5.0263 5.0263 5.1264 5.1264 5.7537 5.7537 6.1484 6.1484 6.8561 6.8561 8.1313 8.1313 10.1482 10.1482 10.5467 10.5467 10.6790 10.6790 12.2317 12.2317 12.3211 12.3211 17.6958 17.6958 20.9573 20.9573 k = 0.1960-0.3306-0.6339 ( 3064 PWs) bands (ev): -81.2363 -81.2363 -46.9172 -46.9172 -45.2246 -45.2246 -45.1307 -45.1307 -40.4053 -40.4053 -12.5616 -12.5616 -12.3633 -12.3633 -12.2858 -12.2858 -7.9428 -7.9428 -7.2467 -7.2467 5.0248 5.0248 5.0888 5.0888 5.7923 5.7923 6.1347 6.1347 6.8186 6.8186 8.0857 8.0857 10.1530 10.1530 10.5300 10.5300 10.6860 10.6860 12.2217 12.2217 12.3327 12.3327 17.7893 17.7893 20.9538 20.9538 k = 0.2006-0.3383-0.6486 ( 3060 PWs) bands (ev): -81.2360 -81.2360 -46.9177 -46.9177 -45.2255 -45.2255 -45.1308 -45.1308 -40.4045 -40.4045 -12.5656 -12.5656 -12.3652 -12.3652 -12.2858 -12.2858 -7.9090 -7.9090 -7.2502 -7.2502 5.0241 5.0241 5.0495 5.0495 5.8337 5.8337 6.1209 6.1209 6.7832 6.7832 8.0392 8.0392 10.1579 10.1579 10.5124 10.5124 10.6935 10.6935 12.2130 12.2130 12.3445 12.3445 17.8827 17.8827 20.9464 20.9464 k = 0.2051-0.3460-0.6634 ( 3062 PWs) bands (ev): -81.2360 -81.2360 -46.9182 -46.9182 -45.2265 -45.2265 -45.1310 -45.1310 -40.4036 -40.4036 -12.5694 -12.5694 -12.3673 -12.3673 -12.2857 -12.2857 -7.8758 -7.8758 -7.2538 -7.2538 5.0093 5.0093 5.0243 5.0243 5.8768 5.8768 6.1064 6.1064 6.7497 6.7497 7.9921 7.9921 10.1631 10.1631 10.4927 10.4927 10.7006 10.7006 12.2051 12.2051 12.3554 12.3554 17.9758 17.9758 20.9354 20.9354 k = 0.2097-0.3536-0.6781 ( 3062 PWs) bands (ev): -81.2358 -81.2358 -46.9187 -46.9187 -45.2274 -45.2274 -45.1311 -45.1311 -40.4029 -40.4029 -12.5731 -12.5731 -12.3696 -12.3696 -12.2854 -12.2854 -7.8431 -7.8431 -7.2573 -7.2573 4.9702 4.9702 5.0246 5.0246 5.9206 5.9206 6.0914 6.0914 6.7186 6.7186 7.9443 7.9443 10.1677 10.1677 10.4731 10.4731 10.7073 10.7073 12.1984 12.1984 12.3664 12.3664 18.0688 18.0688 20.9210 20.9210 k = 0.2143-0.3613-0.6929 ( 3068 PWs) bands (ev): -81.2359 -81.2359 -46.9192 -46.9192 -45.2283 -45.2283 -45.1312 -45.1312 -40.4021 -40.4021 -12.5765 -12.5765 -12.3722 -12.3722 -12.2849 -12.2849 -7.8111 -7.8111 -7.2609 -7.2609 4.9320 4.9320 5.0253 5.0253 5.9638 5.9638 6.0762 6.0762 6.6898 6.6898 7.8961 7.8961 10.1715 10.1715 10.4531 10.4531 10.7127 10.7127 12.1926 12.1926 12.3764 12.3764 18.1615 18.1615 20.9036 20.9036 k = 0.2188-0.3690-0.7076 ( 3066 PWs) bands (ev): -81.2357 -81.2357 -46.9197 -46.9197 -45.2292 -45.2292 -45.1313 -45.1313 -40.4014 -40.4014 -12.5796 -12.5796 -12.3749 -12.3749 -12.2843 -12.2843 -7.7798 -7.7798 -7.2645 -7.2645 4.8957 4.8957 5.0265 5.0265 6.0024 6.0024 6.0645 6.0645 6.6636 6.6636 7.8477 7.8477 10.1747 10.1747 10.4351 10.4351 10.7187 10.7187 12.1880 12.1880 12.3860 12.3860 18.2538 18.2538 20.8834 20.8834 k = 0.2234-0.3767-0.7223 ( 3066 PWs) bands (ev): -81.2356 -81.2356 -46.9201 -46.9201 -45.2300 -45.2300 -45.1314 -45.1314 -40.4006 -40.4006 -12.5824 -12.5824 -12.3778 -12.3778 -12.2836 -12.2836 -7.7493 -7.7493 -7.2680 -7.2680 4.8615 4.8615 5.0279 5.0279 6.0166 6.0166 6.0755 6.0755 6.6400 6.6400 7.7990 7.7990 10.1766 10.1766 10.4187 10.4187 10.7238 10.7238 12.1844 12.1844 12.3947 12.3947 18.3458 18.3458 20.8608 20.8608 k = 0.2279-0.3844-0.7371 ( 3064 PWs) bands (ev): -81.2354 -81.2354 -46.9205 -46.9205 -45.2307 -45.2307 -45.1315 -45.1315 -40.4000 -40.4000 -12.5850 -12.5850 -12.3808 -12.3808 -12.2828 -12.2828 -7.7196 -7.7196 -7.2716 -7.2716 4.8298 4.8298 5.0295 5.0295 6.0027 6.0027 6.1123 6.1123 6.6191 6.6191 7.7501 7.7501 10.1769 10.1769 10.4047 10.4047 10.7282 10.7282 12.1821 12.1821 12.4026 12.4026 18.4373 18.4373 20.8359 20.8359 k = 0.2325-0.3921-0.7518 ( 3066 PWs) bands (ev): -81.2353 -81.2353 -46.9210 -46.9210 -45.2315 -45.2315 -45.1316 -45.1316 -40.3993 -40.3993 -12.5873 -12.5873 -12.3841 -12.3841 -12.2820 -12.2820 -7.6909 -7.6909 -7.2752 -7.2752 4.8008 4.8008 5.0311 5.0311 5.9812 5.9812 6.1544 6.1544 6.6011 6.6011 7.7013 7.7013 10.1747 10.1747 10.3930 10.3930 10.7318 10.7318 12.1801 12.1801 12.4093 12.4093 18.5283 18.5283 20.8090 20.8090 k = 0.2371-0.3998-0.7666 ( 3064 PWs) bands (ev): -81.2351 -81.2351 -46.9213 -46.9213 -45.2322 -45.2322 -45.1317 -45.1317 -40.3987 -40.3987 -12.5894 -12.5894 -12.3874 -12.3874 -12.2811 -12.2811 -7.6630 -7.6630 -7.2787 -7.2787 4.7747 4.7747 5.0326 5.0326 5.9566 5.9566 6.1970 6.1970 6.5860 6.5860 7.6525 7.6525 10.1697 10.1697 10.3859 10.3859 10.7350 10.7350 12.1793 12.1793 12.4152 12.4152 18.6186 18.6186 20.7804 20.7804 k = 0.2416-0.4075-0.7813 ( 3064 PWs) bands (ev): -81.2350 -81.2350 -46.9217 -46.9217 -45.2328 -45.2328 -45.1318 -45.1318 -40.3981 -40.3981 -12.5911 -12.5911 -12.3908 -12.3908 -12.2801 -12.2801 -7.6362 -7.6362 -7.2823 -7.2823 4.7517 4.7517 5.0340 5.0340 5.9296 5.9296 6.2391 6.2391 6.5739 6.5739 7.6038 7.6038 10.1615 10.1615 10.3830 10.3830 10.7372 10.7372 12.1793 12.1793 12.4194 12.4194 18.7083 18.7083 20.7501 20.7501 k = 0.2462-0.4151-0.7960 ( 3066 PWs) bands (ev): -81.2349 -81.2349 -46.9221 -46.9221 -45.2335 -45.2335 -45.1319 -45.1319 -40.3975 -40.3975 -12.5925 -12.5925 -12.3944 -12.3944 -12.2792 -12.2792 -7.6104 -7.6104 -7.2858 -7.2858 4.7319 4.7319 5.0352 5.0352 5.9004 5.9004 6.2803 6.2803 6.5648 6.5648 7.5553 7.5553 10.1508 10.1508 10.3832 10.3832 10.7386 10.7386 12.1796 12.1796 12.4228 12.4228 18.7972 18.7972 20.7184 20.7184 k = 0.2507-0.4228-0.8108 ( 3070 PWs) bands (ev): -81.2349 -81.2349 -46.9225 -46.9225 -45.2341 -45.2341 -45.1321 -45.1321 -40.3970 -40.3970 -12.5937 -12.5937 -12.3980 -12.3980 -12.2783 -12.2783 -7.5857 -7.5857 -7.2893 -7.2893 4.7154 4.7154 5.0360 5.0360 5.8693 5.8693 6.3204 6.3204 6.5587 6.5587 7.5072 7.5072 10.1381 10.1381 10.3874 10.3874 10.7384 10.7384 12.1803 12.1803 12.4243 12.4243 18.8852 18.8852 20.6853 20.6853 k = 0.2553-0.4305-0.8255 ( 3072 PWs) bands (ev): -81.2349 -81.2349 -46.9228 -46.9228 -45.2347 -45.2347 -45.1322 -45.1322 -40.3964 -40.3964 -12.5946 -12.5946 -12.4016 -12.4016 -12.2774 -12.2774 -7.5621 -7.5621 -7.2928 -7.2928 4.7022 4.7022 5.0365 5.0365 5.8362 5.8362 6.3592 6.3592 6.5559 6.5559 7.4594 7.4594 10.1241 10.1241 10.3939 10.3939 10.7381 10.7381 12.1817 12.1817 12.4252 12.4252 18.9721 18.9721 20.6510 20.6510 k = 0.2598-0.4382-0.8403 ( 3076 PWs) bands (ev): -81.2350 -81.2350 -46.9231 -46.9231 -45.2352 -45.2352 -45.1323 -45.1323 -40.3960 -40.3960 -12.5952 -12.5952 -12.4053 -12.4053 -12.2765 -12.2765 -7.5397 -7.5397 -7.2963 -7.2963 4.6925 4.6925 5.0368 5.0368 5.8012 5.8012 6.3965 6.3965 6.5562 6.5562 7.4120 7.4120 10.1079 10.1079 10.4028 10.4028 10.7378 10.7378 12.1837 12.1837 12.4245 12.4245 19.0579 19.0579 20.6156 20.6156 k = 0.2644-0.4459-0.8550 ( 3080 PWs) bands (ev): -81.2350 -81.2350 -46.9235 -46.9235 -45.2358 -45.2358 -45.1324 -45.1324 -40.3955 -40.3955 -12.5955 -12.5955 -12.4090 -12.4090 -12.2757 -12.2757 -7.5185 -7.5185 -7.2997 -7.2997 4.6863 4.6863 5.0365 5.0365 5.7646 5.7646 6.4324 6.4324 6.5596 6.5596 7.3650 7.3650 10.0921 10.0921 10.4133 10.4133 10.7355 10.7355 12.1862 12.1862 12.4234 12.4234 19.1424 19.1424 20.5791 20.5791 k = 0.2690-0.4536-0.8698 ( 3074 PWs) bands (ev): -81.2347 -81.2347 -46.9237 -46.9237 -45.2361 -45.2361 -45.1325 -45.1325 -40.3951 -40.3951 -12.5956 -12.5956 -12.4126 -12.4126 -12.2749 -12.2749 -7.4985 -7.4985 -7.3031 -7.3031 4.6836 4.6836 5.0360 5.0360 5.7263 5.7263 6.4666 6.4666 6.5663 6.5663 7.3187 7.3187 10.0769 10.0769 10.4253 10.4253 10.7342 10.7342 12.1896 12.1896 12.4226 12.4226 19.2256 19.2256 20.5416 20.5416 k = 0.2735-0.4613-0.8845 ( 3074 PWs) bands (ev): -81.2346 -81.2346 -46.9239 -46.9239 -45.2366 -45.2366 -45.1326 -45.1326 -40.3947 -40.3947 -12.5954 -12.5954 -12.4163 -12.4163 -12.2741 -12.2741 -7.4797 -7.4797 -7.3065 -7.3065 4.6844 4.6844 5.0351 5.0351 5.6864 5.6864 6.4991 6.4991 6.5759 6.5759 7.2729 7.2729 10.0616 10.0616 10.4377 10.4377 10.7318 10.7318 12.1931 12.1931 12.4200 12.4200 19.3070 19.3070 20.5031 20.5031 k = 0.2781-0.4690-0.8992 ( 3074 PWs) bands (ev): -81.2346 -81.2346 -46.9241 -46.9241 -45.2369 -45.2369 -45.1327 -45.1327 -40.3944 -40.3944 -12.5951 -12.5951 -12.4198 -12.4198 -12.2734 -12.2734 -7.4621 -7.4621 -7.3098 -7.3098 4.6886 4.6886 5.0338 5.0338 5.6452 5.6452 6.5299 6.5299 6.5884 6.5884 7.2277 7.2277 10.0469 10.0469 10.4513 10.4513 10.7286 10.7286 12.1970 12.1970 12.4164 12.4164 19.3867 19.3867 20.4637 20.4637 k = 0.2826-0.4767-0.9140 ( 3072 PWs) bands (ev): -81.2344 -81.2344 -46.9243 -46.9243 -45.2373 -45.2373 -45.1327 -45.1327 -40.3940 -40.3940 -12.5945 -12.5945 -12.4233 -12.4233 -12.2728 -12.2728 -7.4458 -7.4458 -7.3130 -7.3130 4.6963 4.6963 5.0322 5.0322 5.6027 5.6027 6.5588 6.5588 6.6036 6.6036 7.1832 7.1832 10.0334 10.0334 10.4660 10.4660 10.7248 10.7248 12.2013 12.2013 12.4117 12.4117 19.4646 19.4646 20.4233 20.4233 k = 0.2872-0.4843-0.9287 ( 3072 PWs) bands (ev): -81.2344 -81.2344 -46.9245 -46.9245 -45.2376 -45.2376 -45.1328 -45.1328 -40.3937 -40.3937 -12.5938 -12.5938 -12.4267 -12.4267 -12.2722 -12.2722 -7.4308 -7.4308 -7.3163 -7.3163 4.7072 4.7072 5.0304 5.0304 5.5592 5.5592 6.5858 6.5858 6.6214 6.6214 7.1394 7.1394 10.0205 10.0205 10.4800 10.4800 10.7204 10.7204 12.2061 12.2061 12.4067 12.4067 19.5402 19.5402 20.3820 20.3820 k = 0.2918-0.4920-0.9435 ( 3070 PWs) bands (ev): -81.2342 -81.2342 -46.9246 -46.9246 -45.2378 -45.2378 -45.1328 -45.1328 -40.3935 -40.3935 -12.5930 -12.5930 -12.4299 -12.4299 -12.2717 -12.2717 -7.4170 -7.4170 -7.3194 -7.3194 4.7214 4.7214 5.0285 5.0285 5.5149 5.5149 6.6109 6.6109 6.6417 6.6417 7.0965 7.0965 10.0092 10.0092 10.4941 10.4941 10.7152 10.7152 12.2113 12.2113 12.4016 12.4016 19.6136 19.6136 20.3397 20.3397 k = 0.2963-0.4997-0.9582 ( 3072 PWs) bands (ev): -81.2343 -81.2343 -46.9248 -46.9248 -45.2381 -45.2381 -45.1329 -45.1329 -40.3932 -40.3932 -12.5920 -12.5920 -12.4329 -12.4329 -12.2712 -12.2712 -7.4045 -7.4045 -7.3226 -7.3226 4.7385 4.7385 5.0265 5.0265 5.4700 5.4700 6.6341 6.6341 6.6640 6.6640 7.0545 7.0545 9.9981 9.9981 10.5074 10.5074 10.7100 10.7100 12.2166 12.2166 12.3957 12.3957 19.6842 19.6842 20.2965 20.2965 k = 0.3009-0.5074-0.9729 ( 3070 PWs) bands (ev): -81.2342 -81.2342 -46.9249 -46.9249 -45.2383 -45.2383 -45.1330 -45.1330 -40.3930 -40.3930 -12.5910 -12.5910 -12.4358 -12.4358 -12.2708 -12.2708 -7.3932 -7.3932 -7.3256 -7.3256 4.7584 4.7584 5.0245 5.0245 5.4250 5.4250 6.6555 6.6555 6.6880 6.6880 7.0136 7.0136 9.9887 9.9887 10.5210 10.5210 10.7047 10.7047 12.2224 12.2224 12.3892 12.3892 19.7522 19.7522 20.2524 20.2524 k = 0.3054-0.5151-0.9877 ( 3060 PWs) bands (ev): -81.2338 -81.2338 -46.9249 -46.9249 -45.2384 -45.2384 -45.1329 -45.1329 -40.3929 -40.3929 -12.5900 -12.5900 -12.4383 -12.4383 -12.2704 -12.2704 -7.3832 -7.3832 -7.3286 -7.3286 4.7807 4.7807 5.0225 5.0225 5.3804 5.3804 6.6752 6.6752 6.7134 6.7134 6.9742 6.9742 9.9812 9.9812 10.5345 10.5345 10.6991 10.6991 12.2298 12.2298 12.3834 12.3834 19.8173 19.8173 20.2073 20.2073 k = 0.3100-0.5228-1.0024 ( 3060 PWs) bands (ev): -81.2337 -81.2337 -46.9250 -46.9250 -45.2386 -45.2386 -45.1329 -45.1329 -40.3927 -40.3927 -12.5890 -12.5890 -12.4406 -12.4406 -12.2702 -12.2702 -7.3744 -7.3744 -7.3315 -7.3315 4.8044 4.8044 5.0207 5.0207 5.3368 5.3368 6.6928 6.6928 6.7391 6.7391 6.9370 6.9370 9.9740 9.9740 10.5459 10.5459 10.6927 10.6927 12.2364 12.2364 12.3770 12.3770 19.8790 19.8790 20.1612 20.1612 k = 0.3145-0.5305-1.0172 ( 3064 PWs) bands (ev): -81.2339 -81.2339 -46.9251 -46.9251 -45.2387 -45.2387 -45.1330 -45.1330 -40.3926 -40.3926 -12.5881 -12.5881 -12.4426 -12.4426 -12.2700 -12.2700 -7.3667 -7.3667 -7.3343 -7.3343 4.8287 4.8287 5.0190 5.0190 5.2955 5.2955 6.7085 6.7085 6.7630 6.7630 6.9039 6.9039 9.9675 9.9675 10.5561 10.5561 10.6861 10.6861 12.2430 12.2430 12.3699 12.3699 19.9373 19.9373 20.1141 20.1141 k = 0.3191-0.5382-1.0319 ( 3062 PWs) bands (ev): -81.2338 -81.2338 -46.9251 -46.9251 -45.2388 -45.2388 -45.1330 -45.1330 -40.3925 -40.3925 -12.5873 -12.5873 -12.4442 -12.4442 -12.2698 -12.2698 -7.3603 -7.3603 -7.3370 -7.3370 4.8518 4.8518 5.0177 5.0177 5.2581 5.2581 6.7224 6.7224 6.7792 6.7792 6.8811 6.8811 9.9627 9.9627 10.5645 10.5645 10.6801 10.6801 12.2502 12.2502 12.3644 12.3644 19.9920 19.9920 20.0661 20.0661 k = 0.3237-0.5458-1.0466 ( 3064 PWs) bands (ev): -81.2338 -81.2338 -46.9252 -46.9252 -45.2389 -45.2389 -45.1330 -45.1330 -40.3924 -40.3924 -12.5866 -12.5866 -12.4454 -12.4454 -12.2697 -12.2697 -7.3552 -7.3552 -7.3395 -7.3395 4.8708 4.8708 5.0166 5.0166 5.2276 5.2276 6.7341 6.7341 6.7754 6.7754 6.8805 6.8805 9.9589 9.9589 10.5713 10.5713 10.6746 10.6746 12.2574 12.2574 12.3579 12.3579 20.0165 20.0165 20.0435 20.0435 k = 0.3282-0.5535-1.0614 ( 3068 PWs) bands (ev): -81.2340 -81.2340 -46.9252 -46.9252 -45.2390 -45.2390 -45.1331 -45.1331 -40.3924 -40.3924 -12.5862 -12.5862 -12.4462 -12.4462 -12.2697 -12.2697 -7.3515 -7.3515 -7.3416 -7.3416 4.8816 4.8816 5.0160 5.0160 5.2083 5.2083 6.7406 6.7406 6.7562 6.7562 6.9007 6.9007 9.9555 9.9555 10.5750 10.5750 10.6700 10.6700 12.2649 12.2649 12.3524 12.3524 19.9668 19.9668 20.0902 20.0902 k = 0.3328-0.5612-1.0761 ( 3066 PWs) bands (ev): -81.2339 -81.2339 -46.9252 -46.9252 -45.2389 -45.2389 -45.1330 -45.1330 -40.3924 -40.3924 -12.5860 -12.5860 -12.4465 -12.4465 -12.2697 -12.2697 -7.3498 -7.3498 -7.3426 -7.3426 4.8801 4.8801 5.0158 5.0158 5.2043 5.2043 6.7190 6.7190 6.7563 6.7563 6.9299 6.9299 9.9535 9.9535 10.5763 10.5763 10.6674 10.6674 12.2728 12.2728 12.3480 12.3480 19.9159 19.9159 20.1330 20.1330 k = 0.3373-0.5689-1.0909 ( 3066 PWs) bands (ev): -81.2339 -81.2339 -46.9252 -46.9252 -45.2389 -45.2389 -45.1331 -45.1331 -40.3924 -40.3924 -12.5861 -12.5861 -12.4463 -12.4463 -12.2698 -12.2698 -7.3504 -7.3504 -7.3422 -7.3422 4.8644 4.8644 5.0160 5.0160 5.2174 5.2174 6.6873 6.6873 6.7629 6.7629 6.9628 6.9628 9.9522 9.9522 10.5747 10.5747 10.6664 10.6664 12.2804 12.2804 12.3439 12.3439 19.8639 19.8639 20.1717 20.1717 k = 0.3419-0.5766-1.1056 ( 3068 PWs) bands (ev): -81.2340 -81.2340 -46.9252 -46.9252 -45.2389 -45.2389 -45.1331 -45.1331 -40.3924 -40.3924 -12.5865 -12.5865 -12.4456 -12.4456 -12.2699 -12.2699 -7.3523 -7.3523 -7.3414 -7.3414 4.8368 4.8368 5.0167 5.0167 5.2451 5.2451 6.6547 6.6547 6.7687 6.7687 6.9973 6.9973 9.9514 9.9514 10.5697 10.5697 10.6661 10.6661 12.2886 12.2886 12.3411 12.3411 19.8111 19.8111 20.2061 20.2061 k = 0.6581-0.4395-1.0225 ( 3068 PWs) bands (ev): -81.2340 -81.2340 -46.9252 -46.9252 -45.2389 -45.2389 -45.1331 -45.1331 -40.3924 -40.3924 -12.5865 -12.5865 -12.4456 -12.4456 -12.2699 -12.2699 -7.3523 -7.3523 -7.3414 -7.3414 4.8368 4.8368 5.0167 5.0167 5.2451 5.2451 6.6547 6.6547 6.7687 6.7687 6.9973 6.9973 9.9514 9.9514 10.5697 10.5697 10.6661 10.6661 12.2886 12.2886 12.3411 12.3411 19.8111 19.8111 20.2061 20.2061 k = 0.6536-0.4230-1.0225 ( 3072 PWs) bands (ev): -81.2341 -81.2341 -46.9252 -46.9252 -45.2389 -45.2389 -45.1331 -45.1331 -40.3925 -40.3925 -12.5871 -12.5871 -12.4444 -12.4444 -12.2700 -12.2700 -7.3544 -7.3544 -7.3412 -7.3412 4.8015 4.8015 5.0180 5.0180 5.2835 5.2835 6.6223 6.6223 6.7731 6.7731 7.0324 7.0324 9.9512 9.9512 10.5625 10.5625 10.6667 10.6667 12.2964 12.2964 12.3388 12.3388 19.7578 19.7578 20.2360 20.2360 k = 0.6491-0.4065-1.0225 ( 3070 PWs) bands (ev): -81.2341 -81.2341 -46.9252 -46.9252 -45.2388 -45.2388 -45.1331 -45.1331 -40.3926 -40.3926 -12.5881 -12.5881 -12.4428 -12.4428 -12.2701 -12.2701 -7.3567 -7.3567 -7.3417 -7.3417 4.7613 4.7613 5.0200 5.0200 5.3296 5.3296 6.5906 6.5906 6.7765 6.7765 7.0679 7.0679 9.9506 9.9506 10.5538 10.5538 10.6680 10.6680 12.3052 12.3052 12.3396 12.3396 19.7037 19.7037 20.2617 20.2617 k = 0.6445-0.3901-1.0225 ( 3072 PWs) bands (ev): -81.2342 -81.2342 -46.9251 -46.9251 -45.2387 -45.2387 -45.1330 -45.1330 -40.3926 -40.3926 -12.5894 -12.5894 -12.4408 -12.4408 -12.2703 -12.2703 -7.3589 -7.3589 -7.3428 -7.3428 4.7181 4.7181 5.0225 5.0225 5.3814 5.3814 6.5595 6.5595 6.7788 6.7788 7.1035 7.1035 9.9507 9.9507 10.5431 10.5431 10.6687 10.6687 12.3132 12.3132 12.3414 12.3414 19.6488 19.6488 20.2833 20.2833 k = 0.6400-0.3736-1.0225 ( 3070 PWs) bands (ev): -81.2341 -81.2341 -46.9250 -46.9250 -45.2386 -45.2386 -45.1330 -45.1330 -40.3927 -40.3927 -12.5909 -12.5909 -12.4383 -12.4383 -12.2705 -12.2705 -7.3611 -7.3611 -7.3446 -7.3446 4.6733 4.6733 5.0255 5.0255 5.4374 5.4374 6.5291 6.5291 6.7803 6.7803 7.1390 7.1390 9.9519 9.9519 10.5318 10.5318 10.6695 10.6695 12.3209 12.3209 12.3447 12.3447 19.5932 19.5932 20.3010 20.3010 k = 0.6355-0.3571-1.0225 ( 3076 PWs) bands (ev): -81.2344 -81.2344 -46.9250 -46.9250 -45.2385 -45.2385 -45.1330 -45.1330 -40.3929 -40.3929 -12.5927 -12.5927 -12.4355 -12.4355 -12.2707 -12.2707 -7.3633 -7.3633 -7.3471 -7.3471 4.6276 4.6276 5.0292 5.0292 5.4968 5.4968 6.4995 6.4995 6.7807 6.7807 7.1740 7.1740 9.9525 9.9525 10.5190 10.5190 10.6691 10.6691 12.3275 12.3275 12.3493 12.3493 19.5368 19.5368 20.3149 20.3149 k = 0.6310-0.3407-1.0225 ( 3068 PWs) bands (ev): -81.2341 -81.2341 -46.9249 -46.9249 -45.2383 -45.2383 -45.1329 -45.1329 -40.3930 -40.3930 -12.5946 -12.5946 -12.4323 -12.4323 -12.2708 -12.2708 -7.3654 -7.3654 -7.3501 -7.3501 4.5817 4.5817 5.0336 5.0336 5.5590 5.5590 6.4708 6.4708 6.7807 6.7807 7.2086 7.2086 9.9538 9.9538 10.5068 10.5068 10.6691 10.6691 12.3355 12.3355 12.3570 12.3570 19.4799 19.4799 20.3252 20.3252 k = 0.6265-0.3242-1.0225 ( 3068 PWs) bands (ev): -81.2341 -81.2341 -46.9248 -46.9248 -45.2382 -45.2382 -45.1328 -45.1328 -40.3931 -40.3931 -12.5968 -12.5968 -12.4289 -12.4289 -12.2710 -12.2710 -7.3675 -7.3675 -7.3536 -7.3536 4.5359 4.5359 5.0384 5.0384 5.6234 5.6234 6.4429 6.4429 6.7800 6.7800 7.2425 7.2425 9.9545 9.9545 10.4940 10.4940 10.6675 10.6675 12.3428 12.3428 12.3647 12.3647 19.4224 19.4224 20.3320 20.3320 k = 0.6220-0.3077-1.0225 ( 3062 PWs) bands (ev): -81.2339 -81.2339 -46.9246 -46.9246 -45.2380 -45.2380 -45.1327 -45.1327 -40.3933 -40.3933 -12.5992 -12.5992 -12.4252 -12.4252 -12.2712 -12.2712 -7.3696 -7.3696 -7.3576 -7.3576 4.4905 4.4905 5.0438 5.0438 5.6896 5.6896 6.4160 6.4160 6.7791 6.7791 7.2755 7.2755 9.9556 9.9556 10.4816 10.4816 10.6655 10.6655 12.3511 12.3511 12.3739 12.3739 19.3645 19.3645 20.3358 20.3358 k = 0.6174-0.2912-1.0225 ( 3060 PWs) bands (ev): -81.2339 -81.2339 -46.9245 -46.9245 -45.2379 -45.2379 -45.1326 -45.1326 -40.3935 -40.3935 -12.6016 -12.6016 -12.4214 -12.4214 -12.2713 -12.2713 -7.3717 -7.3717 -7.3619 -7.3619 4.4456 4.4456 5.0498 5.0498 5.7571 5.7571 6.3900 6.3900 6.7779 6.7779 7.3074 7.3074 9.9557 9.9557 10.4685 10.4685 10.6621 10.6621 12.3599 12.3599 12.3838 12.3838 19.3062 19.3062 20.3365 20.3365 k = 0.6129-0.2748-1.0225 ( 3062 PWs) bands (ev): -81.2340 -81.2340 -46.9244 -46.9244 -45.2377 -45.2377 -45.1325 -45.1325 -40.3936 -40.3936 -12.6042 -12.6042 -12.4174 -12.4174 -12.2714 -12.2714 -7.3740 -7.3740 -7.3663 -7.3663 4.4015 4.4015 5.0562 5.0562 5.8256 5.8256 6.3648 6.3648 6.7767 6.7767 7.3382 7.3382 9.9550 9.9550 10.4544 10.4544 10.6580 10.6580 12.3691 12.3691 12.3943 12.3943 19.2476 19.2476 20.3345 20.3345 k = 0.6084-0.2583-1.0225 ( 3062 PWs) bands (ev): -81.2340 -81.2340 -46.9243 -46.9243 -45.2376 -45.2376 -45.1325 -45.1325 -40.3938 -40.3938 -12.6068 -12.6068 -12.4133 -12.4133 -12.2714 -12.2714 -7.3768 -7.3768 -7.3706 -7.3706 4.3583 4.3583 5.0632 5.0632 5.8946 5.8946 6.3406 6.3406 6.7759 6.7759 7.3677 7.3677 9.9531 9.9531 10.4415 10.4415 10.6535 10.6535 12.3787 12.3787 12.4057 12.4057 19.1890 19.1890 20.3300 20.3300 k = 0.6039-0.2418-1.0225 ( 3060 PWs) bands (ev): -81.2340 -81.2340 -46.9242 -46.9242 -45.2374 -45.2374 -45.1324 -45.1324 -40.3940 -40.3940 -12.6095 -12.6095 -12.4092 -12.4092 -12.2714 -12.2714 -7.3806 -7.3806 -7.3739 -7.3739 4.3162 4.3162 5.0705 5.0705 5.9636 5.9636 6.3174 6.3174 6.7757 6.7757 7.3959 7.3959 9.9508 9.9508 10.4285 10.4285 10.6486 10.6486 12.3885 12.3885 12.4187 12.4187 19.1304 19.1304 20.3235 20.3235 k = 0.5994-0.2253-1.0225 ( 3062 PWs) bands (ev): -81.2341 -81.2341 -46.9241 -46.9241 -45.2373 -45.2373 -45.1323 -45.1323 -40.3942 -40.3942 -12.6122 -12.6122 -12.4052 -12.4052 -12.2714 -12.2714 -7.3855 -7.3855 -7.3763 -7.3763 4.2753 4.2753 5.0782 5.0782 6.0320 6.0320 6.2950 6.2950 6.7766 6.7766 7.4226 7.4226 9.9473 9.9473 10.4146 10.4146 10.6433 10.6433 12.3978 12.3978 12.4329 12.4329 19.0719 19.0719 20.3152 20.3152 k = 0.5949-0.2089-1.0225 ( 3062 PWs) bands (ev): -81.2341 -81.2341 -46.9240 -46.9240 -45.2371 -45.2371 -45.1322 -45.1322 -40.3944 -40.3944 -12.6150 -12.6150 -12.4011 -12.4011 -12.2713 -12.2713 -7.3910 -7.3910 -7.3783 -7.3783 4.2356 4.2356 5.0863 5.0863 6.0991 6.0991 6.2738 6.2738 6.7788 6.7788 7.4477 7.4477 9.9426 9.9426 10.4009 10.4009 10.6379 10.6379 12.4068 12.4068 12.4494 12.4494 19.0136 19.0136 20.3052 20.3052 k = 0.5903-0.1924-1.0225 ( 3066 PWs) bands (ev): -81.2343 -81.2343 -46.9239 -46.9239 -45.2370 -45.2370 -45.1321 -45.1321 -40.3946 -40.3946 -12.6177 -12.6177 -12.3971 -12.3971 -12.2711 -12.2711 -7.3968 -7.3968 -7.3799 -7.3799 4.1973 4.1973 5.0947 5.0947 6.1639 6.1639 6.2537 6.2537 6.7831 6.7831 7.4713 7.4713 9.9365 9.9365 10.3878 10.3878 10.6321 10.6321 12.4145 12.4145 12.4665 12.4665 18.9559 18.9559 20.2938 20.2938 k = 0.5858-0.1759-1.0225 ( 3064 PWs) bands (ev): -81.2343 -81.2343 -46.9238 -46.9238 -45.2369 -45.2369 -45.1320 -45.1320 -40.3948 -40.3948 -12.6203 -12.6203 -12.3932 -12.3932 -12.2709 -12.2709 -7.4027 -7.4027 -7.3815 -7.3815 4.1604 4.1604 5.1033 5.1033 6.2211 6.2211 6.2394 6.2394 6.7904 6.7904 7.4934 7.4934 9.9292 9.9292 10.3754 10.3754 10.6264 10.6264 12.4224 12.4224 12.4861 12.4861 18.8989 18.8989 20.2815 20.2815 k = 0.5813-0.1594-1.0225 ( 3064 PWs) bands (ev): -81.2343 -81.2343 -46.9237 -46.9237 -45.2367 -45.2367 -45.1318 -45.1318 -40.3950 -40.3950 -12.6229 -12.6229 -12.3895 -12.3895 -12.2706 -12.2706 -7.4086 -7.4086 -7.3829 -7.3829 4.1250 4.1250 5.1120 5.1120 6.2141 6.2141 6.2860 6.2860 6.8015 6.8015 7.5138 7.5138 9.9205 9.9205 10.3630 10.3630 10.6209 10.6209 12.4295 12.4295 12.5066 12.5066 18.8427 18.8427 20.2683 20.2683 k = 0.5768-0.1430-1.0225 ( 3060 PWs) bands (ev): -81.2342 -81.2342 -46.9235 -46.9235 -45.2365 -45.2365 -45.1317 -45.1317 -40.3952 -40.3952 -12.6254 -12.6254 -12.3859 -12.3859 -12.2702 -12.2702 -7.4146 -7.4146 -7.3842 -7.3842 4.0911 4.0911 5.1209 5.1209 6.1972 6.1972 6.3381 6.3381 6.8175 6.8175 7.5326 7.5326 9.9104 9.9104 10.3520 10.3520 10.6156 10.6156 12.4364 12.4364 12.5285 12.5285 18.7875 18.7875 20.2545 20.2545 k = 0.5723-0.1265-1.0225 ( 3066 PWs) bands (ev): -81.2345 -81.2345 -46.9235 -46.9235 -45.2365 -45.2365 -45.1316 -45.1316 -40.3953 -40.3953 -12.6279 -12.6279 -12.3824 -12.3824 -12.2697 -12.2697 -7.4204 -7.4204 -7.3854 -7.3854 4.0588 4.0588 5.1298 5.1298 6.1807 6.1807 6.3838 6.3838 6.8391 6.8391 7.5498 7.5498 9.8986 9.8986 10.3409 10.3409 10.6096 10.6096 12.4416 12.4416 12.5500 12.5500 18.7336 18.7336 20.2402 20.2402 k = 0.5678-0.1100-1.0225 ( 3070 PWs) bands (ev): -81.2347 -81.2347 -46.9235 -46.9235 -45.2364 -45.2364 -45.1315 -45.1315 -40.3955 -40.3955 -12.6303 -12.6303 -12.3792 -12.3792 -12.2692 -12.2692 -7.4262 -7.4262 -7.3865 -7.3865 4.0283 4.0283 5.1385 5.1385 6.1651 6.1651 6.4218 6.4218 6.8673 6.8673 7.5654 7.5654 9.8859 9.8859 10.3300 10.3300 10.6043 10.6043 12.4470 12.4470 12.5719 12.5719 18.6812 18.6812 20.2258 20.2258 k = 0.5632-0.0935-1.0225 ( 3062 PWs) bands (ev): -81.2344 -81.2344 -46.9233 -46.9233 -45.2362 -45.2362 -45.1314 -45.1314 -40.3957 -40.3957 -12.6325 -12.6325 -12.3762 -12.3762 -12.2686 -12.2686 -7.4318 -7.4318 -7.3876 -7.3876 3.9996 3.9996 5.1472 5.1472 6.1507 6.1507 6.4524 6.4524 6.9020 6.9020 7.5796 7.5796 9.8722 9.8722 10.3216 10.3216 10.6000 10.6000 12.4531 12.4531 12.5951 12.5951 18.6306 18.6306 20.2116 20.2116 k = 0.5587-0.0771-1.0225 ( 3066 PWs) bands (ev): -81.2346 -81.2346 -46.9232 -46.9232 -45.2361 -45.2361 -45.1313 -45.1313 -40.3959 -40.3959 -12.6347 -12.6347 -12.3734 -12.3734 -12.2680 -12.2680 -7.4372 -7.4372 -7.3886 -7.3886 3.9726 3.9726 5.1557 5.1557 6.1370 6.1370 6.4755 6.4755 6.9421 6.9421 7.5922 7.5922 9.8568 9.8568 10.3116 10.3116 10.5958 10.5958 12.4576 12.4576 12.6173 12.6173 18.5819 18.5819 20.1974 20.1974 k = 0.5542-0.0606-1.0225 ( 3070 PWs) bands (ev): -81.2348 -81.2348 -46.9232 -46.9232 -45.2360 -45.2360 -45.1312 -45.1312 -40.3960 -40.3960 -12.6367 -12.6367 -12.3709 -12.3709 -12.2673 -12.2673 -7.4423 -7.4423 -7.3895 -7.3895 3.9474 3.9474 5.1640 5.1640 6.1243 6.1243 6.4925 6.4925 6.9861 6.9861 7.6035 7.6035 9.8398 9.8398 10.3025 10.3025 10.5923 10.5923 12.4619 12.4619 12.6392 12.6392 18.5354 18.5354 20.1835 20.1835 k = 0.5497-0.0441-1.0225 ( 3072 PWs) bands (ev): -81.2349 -81.2349 -46.9231 -46.9231 -45.2359 -45.2359 -45.1311 -45.1311 -40.3962 -40.3962 -12.6386 -12.6386 -12.3685 -12.3685 -12.2666 -12.2666 -7.4471 -7.4471 -7.3903 -7.3903 3.9241 3.9241 5.1719 5.1719 6.1128 6.1128 6.5046 6.5046 7.0326 7.0326 7.6134 7.6134 9.8228 9.8228 10.2942 10.2942 10.5885 10.5885 12.4656 12.4656 12.6618 12.6618 18.4914 18.4914 20.1701 20.1701 k = 0.5452-0.0276-1.0225 ( 3074 PWs) bands (ev): -81.2350 -81.2350 -46.9231 -46.9231 -45.2358 -45.2358 -45.1311 -45.1311 -40.3963 -40.3963 -12.6403 -12.6403 -12.3665 -12.3665 -12.2659 -12.2659 -7.4517 -7.4517 -7.3911 -7.3911 3.9027 3.9027 5.1794 5.1794 6.1021 6.1021 6.5130 6.5130 7.0798 7.0798 7.6221 7.6221 9.8049 9.8049 10.2873 10.2873 10.5856 10.5856 12.4690 12.4690 12.6827 12.6827 18.4501 18.4501 20.1574 20.1574 k = 0.5407-0.0112-1.0225 ( 3076 PWs) bands (ev): -81.2351 -81.2351 -46.9230 -46.9230 -45.2358 -45.2358 -45.1310 -45.1310 -40.3965 -40.3965 -12.6419 -12.6419 -12.3646 -12.3646 -12.2651 -12.2651 -7.4559 -7.4559 -7.3918 -7.3918 3.8833 3.8833 5.1864 5.1864 6.0925 6.0925 6.5188 6.5188 7.1262 7.1262 7.6297 7.6297 9.7873 9.7873 10.2805 10.2805 10.5831 10.5831 12.4720 12.4720 12.7029 12.7029 18.4119 18.4119 20.1455 20.1455 k = 0.5361 0.0053-1.0225 ( 3078 PWs) bands (ev): -81.2352 -81.2352 -46.9230 -46.9230 -45.2357 -45.2357 -45.1309 -45.1309 -40.3966 -40.3966 -12.6434 -12.6434 -12.3630 -12.3630 -12.2644 -12.2644 -7.4597 -7.4597 -7.3924 -7.3924 3.8658 3.8658 5.1929 5.1929 6.0839 6.0839 6.5226 6.5226 7.1709 7.1709 7.6362 7.6362 9.7702 9.7702 10.2747 10.2747 10.5808 10.5808 12.4746 12.4746 12.7214 12.7214 18.3769 18.3769 20.1345 20.1345 k = 0.5316 0.0218-1.0225 ( 3078 PWs) bands (ev): -81.2353 -81.2353 -46.9229 -46.9229 -45.2356 -45.2356 -45.1308 -45.1308 -40.3967 -40.3967 -12.6446 -12.6446 -12.3615 -12.3615 -12.2637 -12.2637 -7.4632 -7.4632 -7.3929 -7.3929 3.8503 3.8503 5.1987 5.1987 6.0763 6.0763 6.5251 6.5251 7.2126 7.2126 7.6417 7.6417 9.7538 9.7538 10.2697 10.2697 10.5791 10.5791 12.4769 12.4769 12.7388 12.7388 18.3453 18.3453 20.1246 20.1246 k = 0.5271 0.0383-1.0225 ( 3072 PWs) bands (ev): -81.2351 -81.2351 -46.9228 -46.9228 -45.2355 -45.2355 -45.1308 -45.1308 -40.3968 -40.3968 -12.6458 -12.6458 -12.3603 -12.3603 -12.2631 -12.2631 -7.4662 -7.4662 -7.3934 -7.3934 3.8369 3.8369 5.2040 5.2040 6.0699 6.0699 6.5268 6.5268 7.2506 7.2506 7.6463 7.6463 9.7389 9.7389 10.2664 10.2664 10.5777 10.5777 12.4794 12.4794 12.7549 12.7549 18.3175 18.3175 20.1159 20.1159 k = 0.5226 0.0547-1.0225 ( 3072 PWs) bands (ev): -81.2351 -81.2351 -46.9227 -46.9227 -45.2355 -45.2355 -45.1307 -45.1307 -40.3969 -40.3969 -12.6467 -12.6467 -12.3593 -12.3593 -12.2625 -12.2625 -7.4688 -7.4688 -7.3938 -7.3938 3.8254 3.8254 5.2085 5.2085 6.0644 6.0644 6.5278 6.5278 7.2840 7.2840 7.6501 7.6501 9.7251 9.7251 10.2628 10.2628 10.5766 10.5766 12.4811 12.4811 12.7685 12.7685 18.2935 18.2935 20.1083 20.1083 k = 0.5181 0.0712-1.0225 ( 3070 PWs) bands (ev): -81.2350 -81.2350 -46.9227 -46.9227 -45.2354 -45.2354 -45.1306 -45.1306 -40.3969 -40.3969 -12.6475 -12.6475 -12.3584 -12.3584 -12.2620 -12.2620 -7.4709 -7.4709 -7.3941 -7.3941 3.8160 3.8160 5.2122 5.2122 6.0597 6.0597 6.5283 6.5283 7.3123 7.3123 7.6531 7.6531 9.7136 9.7136 10.2604 10.2604 10.5757 10.5757 12.4826 12.4826 12.7796 12.7796 18.2736 18.2736 20.1021 20.1021 k = 0.5136 0.0877-1.0225 ( 3070 PWs) bands (ev): -81.2350 -81.2350 -46.9227 -46.9227 -45.2354 -45.2354 -45.1306 -45.1306 -40.3970 -40.3970 -12.6481 -12.6481 -12.3578 -12.3578 -12.2616 -12.2616 -7.4726 -7.4726 -7.3944 -7.3944 3.8087 3.8087 5.2152 5.2152 6.0561 6.0561 6.5286 6.5286 7.3348 7.3348 7.6554 7.6554 9.7039 9.7039 10.2581 10.2581 10.5751 10.5751 12.4836 12.4836 12.7887 12.7887 18.2580 18.2580 20.0971 20.0971 k = 0.5090 0.1041-1.0225 ( 3074 PWs) bands (ev): -81.2352 -81.2352 -46.9227 -46.9227 -45.2354 -45.2354 -45.1306 -45.1306 -40.3970 -40.3970 -12.6486 -12.6486 -12.3574 -12.3574 -12.2614 -12.2614 -7.4738 -7.4738 -7.3946 -7.3946 3.8035 3.8035 5.2174 5.2174 6.0535 6.0535 6.5285 6.5285 7.3512 7.3512 7.6570 7.6570 9.6966 9.6966 10.2563 10.2563 10.5745 10.5745 12.4838 12.4838 12.7946 12.7946 18.2468 18.2468 20.0934 20.0934 k = 0.5045 0.1206-1.0225 ( 3074 PWs) bands (ev): -81.2352 -81.2352 -46.9227 -46.9227 -45.2354 -45.2354 -45.1306 -45.1306 -40.3970 -40.3970 -12.6488 -12.6488 -12.3571 -12.3571 -12.2612 -12.2612 -7.4745 -7.4745 -7.3947 -7.3947 3.8004 3.8004 5.2186 5.2186 6.0519 6.0519 6.5285 6.5285 7.3612 7.3612 7.6579 7.6579 9.6924 9.6924 10.2560 10.2560 10.5741 10.5741 12.4840 12.4840 12.7982 12.7982 18.2400 18.2400 20.0913 20.0913 k = 0.5000 0.1371-1.0225 ( 3070 PWs) bands (ev): -81.2350 -81.2350 -46.9226 -46.9226 -45.2353 -45.2353 -45.1306 -45.1306 -40.3970 -40.3970 -12.6489 -12.6489 -12.3570 -12.3570 -12.2611 -12.2611 -7.4748 -7.4748 -7.3947 -7.3947 3.7994 3.7994 5.2191 5.2191 6.0514 6.0514 6.5285 6.5285 7.3646 7.3646 7.6582 7.6582 9.6910 9.6910 10.2563 10.2563 10.5744 10.5744 12.4846 12.4846 12.7997 12.7997 18.2377 18.2377 20.0906 20.0906 k = 0.5000 0.1371-1.0225 ( 3070 PWs) bands (ev): -81.2350 -81.2350 -46.9226 -46.9226 -45.2353 -45.2353 -45.1306 -45.1306 -40.3970 -40.3970 -12.6489 -12.6489 -12.3570 -12.3570 -12.2611 -12.2611 -7.4748 -7.4748 -7.3947 -7.3947 3.7994 3.7994 5.2191 5.2191 6.0514 6.0514 6.5285 6.5285 7.3646 7.3646 7.6582 7.6582 9.6910 9.6910 10.2563 10.2563 10.5744 10.5744 12.4846 12.4846 12.7997 12.7997 18.2377 18.2377 20.0906 20.0906 k = 0.5144 0.1410-1.0149 ( 3075 PWs) bands (ev): -81.2352 -81.2352 -46.9227 -46.9227 -45.2354 -45.2354 -45.1306 -45.1306 -40.3970 -40.3970 -12.6489 -12.6489 -12.3570 -12.3570 -12.2612 -12.2612 -7.4754 -7.4754 -7.3942 -7.3942 3.7999 3.7999 5.2190 5.2190 6.0514 6.0514 6.5281 6.5281 7.3646 7.3646 7.6579 7.6579 9.6910 9.6910 10.2559 10.2559 10.5738 10.5738 12.4831 12.4831 12.7996 12.7996 18.2395 18.2395 20.0917 20.0917 k = 0.5287 0.1450-1.0074 ( 3075 PWs) bands (ev): -81.2352 -81.2352 -46.9227 -46.9227 -45.2354 -45.2354 -45.1306 -45.1306 -40.3970 -40.3970 -12.6488 -12.6488 -12.3570 -12.3570 -12.2612 -12.2612 -7.4773 -7.4773 -7.3925 -7.3925 3.8015 3.8015 5.2188 5.2188 6.0514 6.0514 6.5271 6.5271 7.3646 7.3646 7.6567 7.6567 9.6917 9.6917 10.2555 10.2555 10.5744 10.5744 12.4813 12.4813 12.7995 12.7995 18.2449 18.2449 20.0950 20.0950 k = 0.5431 0.1489-0.9998 ( 3075 PWs) bands (ev): -81.2352 -81.2352 -46.9227 -46.9227 -45.2354 -45.2354 -45.1306 -45.1306 -40.3971 -40.3971 -12.6488 -12.6488 -12.3570 -12.3570 -12.2612 -12.2612 -7.4802 -7.4802 -7.3900 -7.3900 3.8043 3.8043 5.2186 5.2186 6.0515 6.0515 6.5255 6.5255 7.3645 7.3645 7.6548 7.6548 9.6931 9.6931 10.2557 10.2557 10.5746 10.5746 12.4783 12.4783 12.7992 12.7992 18.2538 18.2538 20.1006 20.1006 k = 0.5575 0.1529-0.9923 ( 3071 PWs) bands (ev): -81.2351 -81.2351 -46.9226 -46.9226 -45.2353 -45.2353 -45.1305 -45.1305 -40.3971 -40.3971 -12.6487 -12.6487 -12.3570 -12.3570 -12.2612 -12.2612 -7.4840 -7.4840 -7.3867 -7.3867 3.8081 3.8081 5.2182 5.2182 6.0515 6.0515 6.5233 6.5233 7.3645 7.3645 7.6522 7.6522 9.6957 9.6957 10.2561 10.2561 10.5752 10.5752 12.4747 12.4747 12.7990 12.7990 18.2662 18.2662 20.1085 20.1085 k = 0.5719 0.1568-0.9847 ( 3071 PWs) bands (ev): -81.2351 -81.2351 -46.9226 -46.9226 -45.2353 -45.2353 -45.1305 -45.1305 -40.3971 -40.3971 -12.6485 -12.6485 -12.3570 -12.3570 -12.2612 -12.2612 -7.4886 -7.4886 -7.3830 -7.3830 3.8129 3.8129 5.2177 5.2177 6.0517 6.0517 6.5204 6.5204 7.3645 7.3645 7.6489 7.6489 9.6981 9.6981 10.2563 10.2563 10.5757 10.5757 12.4691 12.4691 12.7989 12.7989 18.2820 18.2820 20.1185 20.1185 k = 0.5862 0.1607-0.9772 ( 3069 PWs) bands (ev): -81.2350 -81.2350 -46.9226 -46.9226 -45.2353 -45.2353 -45.1305 -45.1305 -40.3971 -40.3971 -12.6484 -12.6484 -12.3570 -12.3570 -12.2613 -12.2613 -7.4936 -7.4936 -7.3788 -7.3788 3.8188 3.8188 5.2170 5.2170 6.0518 6.0518 6.5169 6.5169 7.3645 7.3645 7.6449 7.6449 9.7017 9.7017 10.2564 10.2564 10.5760 10.5760 12.4630 12.4630 12.7987 12.7987 18.3009 18.3009 20.1308 20.1308 k = 0.6006 0.1647-0.9696 ( 3073 PWs) bands (ev): -81.2351 -81.2351 -46.9226 -46.9226 -45.2352 -45.2352 -45.1305 -45.1305 -40.3971 -40.3971 -12.6482 -12.6482 -12.3570 -12.3570 -12.2613 -12.2613 -7.4991 -7.4991 -7.3744 -7.3744 3.8257 3.8257 5.2164 5.2164 6.0518 6.0518 6.5126 6.5126 7.3644 7.3644 7.6403 7.6403 9.7044 9.7044 10.2565 10.2565 10.5764 10.5764 12.4555 12.4555 12.7979 12.7979 18.3229 18.3229 20.1453 20.1453 k = 0.6150 0.1686-0.9620 ( 3075 PWs) bands (ev): -81.2352 -81.2352 -46.9226 -46.9226 -45.2352 -45.2352 -45.1306 -45.1306 -40.3972 -40.3972 -12.6479 -12.6479 -12.3570 -12.3570 -12.2614 -12.2614 -7.5049 -7.5049 -7.3698 -7.3698 3.8336 3.8336 5.2156 5.2156 6.0519 6.0519 6.5077 6.5077 7.3644 7.3644 7.6351 7.6351 9.7078 9.7078 10.2572 10.2572 10.5767 10.5767 12.4472 12.4472 12.7972 12.7972 18.3477 18.3477 20.1619 20.1619 k = 0.6294 0.1726-0.9545 ( 3075 PWs) bands (ev): -81.2352 -81.2352 -46.9225 -46.9225 -45.2352 -45.2352 -45.1306 -45.1306 -40.3972 -40.3972 -12.6477 -12.6477 -12.3570 -12.3570 -12.2615 -12.2615 -7.5109 -7.5109 -7.3652 -7.3652 3.8424 3.8424 5.2147 5.2147 6.0519 6.0519 6.5023 6.5023 7.3644 7.3644 7.6293 7.6293 9.7116 9.7116 10.2580 10.2580 10.5778 10.5778 12.4384 12.4384 12.7962 12.7962 18.3751 18.3751 20.1808 20.1808 k = 0.6437 0.1765-0.9469 ( 3071 PWs) bands (ev): -81.2350 -81.2350 -46.9225 -46.9225 -45.2351 -45.2351 -45.1305 -45.1305 -40.3972 -40.3972 -12.6474 -12.6474 -12.3569 -12.3569 -12.2615 -12.2615 -7.5170 -7.5170 -7.3606 -7.3606 3.8522 3.8522 5.2138 5.2138 6.0520 6.0520 6.4963 6.4963 7.3643 7.3643 7.6232 7.6232 9.7164 9.7164 10.2592 10.2592 10.5793 10.5793 12.4292 12.4292 12.7955 12.7955 18.4049 18.4049 20.2018 20.2018 k = 0.6581 0.1804-0.9394 ( 3063 PWs) bands (ev): -81.2348 -81.2348 -46.9224 -46.9224 -45.2350 -45.2350 -45.1305 -45.1305 -40.3973 -40.3973 -12.6470 -12.6470 -12.3569 -12.3569 -12.2616 -12.2616 -7.5232 -7.5232 -7.3561 -7.3561 3.8628 3.8628 5.2129 5.2129 6.0524 6.0524 6.4897 6.4897 7.3643 7.3643 7.6166 7.6166 9.7219 9.7219 10.2610 10.2610 10.5809 10.5809 12.4195 12.4195 12.7952 12.7952 18.4368 18.4368 20.2250 20.2250 k = 0.6581 0.1804-0.9394 ( 3063 PWs) bands (ev): -81.2348 -81.2348 -46.9224 -46.9224 -45.2350 -45.2350 -45.1305 -45.1305 -40.3973 -40.3973 -12.6470 -12.6470 -12.3569 -12.3569 -12.2616 -12.2616 -7.5232 -7.5232 -7.3561 -7.3561 3.8628 3.8628 5.2129 5.2129 6.0524 6.0524 6.4897 6.4897 7.3643 7.3643 7.6166 7.6166 9.7219 9.7219 10.2610 10.2610 10.5809 10.5809 12.4195 12.4195 12.7952 12.7952 18.4368 18.4368 20.2250 20.2250 k = 0.6555 0.1797-0.9223 ( 3070 PWs) bands (ev): -81.2350 -81.2350 -46.9223 -46.9223 -45.2348 -45.2348 -45.1305 -45.1305 -40.3974 -40.3974 -12.6456 -12.6456 -12.3569 -12.3569 -12.2619 -12.2619 -7.5396 -7.5396 -7.3461 -7.3461 3.8739 3.8739 5.2040 5.2040 6.0520 6.0520 6.4909 6.4909 7.3647 7.3647 7.6312 7.6312 9.7236 9.7236 10.2637 10.2637 10.5823 10.5823 12.4047 12.4047 12.7929 12.7929 18.4141 18.4141 20.2797 20.2797 k = 0.6528 0.1790-0.9053 ( 3076 PWs) bands (ev): -81.2353 -81.2353 -46.9223 -46.9223 -45.2346 -45.2346 -45.1305 -45.1305 -40.3977 -40.3977 -12.6439 -12.6439 -12.3569 -12.3569 -12.2624 -12.2624 -7.5569 -7.5569 -7.3370 -7.3370 3.8883 3.8883 5.1944 5.1944 6.0517 6.0517 6.4914 6.4914 7.3653 7.3653 7.6473 7.6473 9.7266 9.7266 10.2678 10.2678 10.5832 10.5832 12.3886 12.3886 12.7901 12.7901 18.3867 18.3867 20.3423 20.3423 k = 0.6502 0.1783-0.8882 ( 3074 PWs) bands (ev): -81.2353 -81.2353 -46.9221 -46.9221 -45.2343 -45.2343 -45.1305 -45.1305 -40.3979 -40.3979 -12.6417 -12.6417 -12.3568 -12.3568 -12.2629 -12.2629 -7.5749 -7.5749 -7.3289 -7.3289 3.9063 3.9063 5.1843 5.1843 6.0513 6.0513 6.4908 6.4908 7.3659 7.3659 7.6649 7.6649 9.7310 9.7310 10.2735 10.2735 10.5860 10.5860 12.3719 12.3719 12.7870 12.7870 18.3555 18.3555 20.4120 20.4120 k = 0.6476 0.1776-0.8712 ( 3072 PWs) bands (ev): -81.2353 -81.2353 -46.9219 -46.9219 -45.2339 -45.2339 -45.1304 -45.1304 -40.3982 -40.3982 -12.6392 -12.6392 -12.3568 -12.3568 -12.2635 -12.2635 -7.5937 -7.5937 -7.3217 -7.3217 3.9274 3.9274 5.1740 5.1740 6.0509 6.0509 6.4889 6.4889 7.3667 7.3667 7.6842 7.6842 9.7363 9.7363 10.2798 10.2798 10.5894 10.5894 12.3535 12.3535 12.7837 12.7837 18.3212 18.3212 20.4881 20.4881 k = 0.6449 0.1768-0.8542 ( 3067 PWs) bands (ev): -81.2351 -81.2351 -46.9216 -46.9216 -45.2334 -45.2334 -45.1304 -45.1304 -40.3986 -40.3986 -12.6363 -12.6363 -12.3567 -12.3567 -12.2642 -12.2642 -7.6133 -7.6133 -7.3153 -7.3153 3.9517 3.9517 5.1638 5.1638 6.0503 6.0503 6.4857 6.4857 7.3677 7.3677 7.7051 7.7051 9.7427 9.7427 10.2868 10.2868 10.5945 10.5945 12.3337 12.3337 12.7797 12.7797 18.2845 18.2845 20.5698 20.5698 k = 0.6423 0.1761-0.8371 ( 3069 PWs) bands (ev): -81.2353 -81.2353 -46.9213 -46.9213 -45.2330 -45.2330 -45.1304 -45.1304 -40.3990 -40.3990 -12.6331 -12.6331 -12.3567 -12.3567 -12.2648 -12.2648 -7.6337 -7.6337 -7.3098 -7.3098 3.9788 3.9788 5.1539 5.1539 6.0495 6.0495 6.4808 6.4808 7.3690 7.3690 7.7277 7.7277 9.7495 9.7495 10.2939 10.2939 10.5988 10.5988 12.3121 12.3121 12.7752 12.7752 18.2460 18.2460 20.6565 20.6565 k = 0.6397 0.1754-0.8201 ( 3071 PWs) bands (ev): -81.2354 -81.2354 -46.9211 -46.9211 -45.2325 -45.2325 -45.1304 -45.1304 -40.3994 -40.3994 -12.6296 -12.6296 -12.3567 -12.3567 -12.2656 -12.2656 -7.6548 -7.6548 -7.3050 -7.3050 4.0085 4.0085 5.1445 5.1445 6.0486 6.0486 6.4741 6.4741 7.3707 7.3707 7.7519 7.7519 9.7570 9.7570 10.3020 10.3020 10.6036 10.6036 12.2888 12.2888 12.7705 12.7705 18.2061 18.2061 20.7478 20.7478 k = 0.6370 0.1747-0.8030 ( 3075 PWs) bands (ev): -81.2356 -81.2356 -46.9208 -46.9208 -45.2319 -45.2319 -45.1304 -45.1304 -40.3999 -40.3999 -12.6258 -12.6258 -12.3568 -12.3568 -12.2663 -12.2663 -7.6767 -7.6767 -7.3010 -7.3010 4.0406 4.0406 5.1361 5.1361 6.0472 6.0472 6.4658 6.4658 7.3728 7.3728 7.7777 7.7777 9.7650 9.7650 10.3095 10.3095 10.6089 10.6089 12.2648 12.2648 12.7653 12.7653 18.1654 18.1654 20.8433 20.8433 k = 0.6344 0.1739-0.7860 ( 3071 PWs) bands (ev): -81.2356 -81.2356 -46.9205 -46.9205 -45.2313 -45.2313 -45.1303 -45.1303 -40.4004 -40.4004 -12.6217 -12.6217 -12.3568 -12.3568 -12.2671 -12.2671 -7.6993 -7.6993 -7.2977 -7.2977 4.0750 4.0750 5.1290 5.1290 6.0457 6.0457 6.4558 6.4558 7.3756 7.3756 7.8051 7.8051 9.7739 9.7739 10.3190 10.3190 10.6154 10.6154 12.2406 12.2406 12.7599 12.7599 18.1241 18.1241 20.9425 20.9425 k = 0.6317 0.1732-0.7690 ( 3073 PWs) bands (ev): -81.2357 -81.2357 -46.9201 -46.9201 -45.2306 -45.2306 -45.1303 -45.1303 -40.4009 -40.4009 -12.6173 -12.6173 -12.3570 -12.3570 -12.2679 -12.2679 -7.7227 -7.7227 -7.2950 -7.2950 4.1112 4.1112 5.1235 5.1235 6.0438 6.0438 6.4440 6.4440 7.3789 7.3789 7.8338 7.8338 9.7823 9.7823 10.3285 10.3285 10.6214 10.6214 12.2149 12.2149 12.7545 12.7545 18.0825 18.0825 21.0451 21.0451 k = 0.6291 0.1725-0.7519 ( 3077 PWs) bands (ev): -81.2360 -81.2360 -46.9198 -46.9198 -45.2299 -45.2299 -45.1303 -45.1303 -40.4015 -40.4015 -12.6127 -12.6127 -12.3571 -12.3571 -12.2686 -12.2686 -7.7467 -7.7467 -7.2930 -7.2930 4.1488 4.1488 5.1198 5.1198 6.0415 6.0415 6.4308 6.4308 7.3831 7.3831 7.8637 7.8637 9.7912 9.7912 10.3375 10.3375 10.6279 10.6279 12.1882 12.1882 12.7488 12.7488 18.0407 18.0407 21.1507 21.1507 k = 0.6265 0.1718-0.7349 ( 3073 PWs) bands (ev): -81.2359 -81.2359 -46.9193 -46.9193 -45.2291 -45.2291 -45.1302 -45.1302 -40.4021 -40.4021 -12.6078 -12.6078 -12.3573 -12.3573 -12.2693 -12.2693 -7.7713 -7.7713 -7.2916 -7.2916 4.1877 4.1877 5.1183 5.1183 6.0387 6.0387 6.4164 6.4164 7.3881 7.3881 7.8946 7.8946 9.8009 9.8009 10.3472 10.3472 10.6361 10.6361 12.1617 12.1617 12.7431 12.7431 17.9990 17.9990 21.2585 21.2585 k = 0.6238 0.1711-0.7178 ( 3080 PWs) bands (ev): -81.2363 -81.2363 -46.9190 -46.9190 -45.2284 -45.2284 -45.1302 -45.1302 -40.4028 -40.4028 -12.6027 -12.6027 -12.3576 -12.3576 -12.2700 -12.2700 -7.7966 -7.7966 -7.2908 -7.2908 4.2272 4.2272 5.1192 5.1192 6.0353 6.0353 6.4007 6.4007 7.3940 7.3940 7.9262 7.9262 9.8095 9.8095 10.3556 10.3556 10.6439 10.6439 12.1345 12.1345 12.7368 12.7368 17.9574 17.9574 21.3264 21.3264 k = 0.6212 0.1703-0.7008 ( 3084 PWs) bands (ev): -81.2366 -81.2366 -46.9186 -46.9186 -45.2276 -45.2276 -45.1302 -45.1302 -40.4034 -40.4034 -12.5974 -12.5974 -12.3579 -12.3579 -12.2706 -12.2706 -7.8224 -7.8224 -7.2905 -7.2905 4.2670 4.2670 5.1229 5.1229 6.0314 6.0314 6.3842 6.3842 7.4010 7.4010 7.9582 7.9582 9.8178 9.8178 10.3645 10.3645 10.6527 10.6527 12.1070 12.1070 12.7308 12.7308 17.9161 17.9161 21.2697 21.2697 k = 0.6186 0.1696-0.6837 ( 3082 PWs) bands (ev): -81.2367 -81.2367 -46.9181 -46.9181 -45.2267 -45.2267 -45.1302 -45.1302 -40.4041 -40.4041 -12.5919 -12.5919 -12.3583 -12.3583 -12.2711 -12.2711 -7.8487 -7.8487 -7.2906 -7.2906 4.3067 4.3067 5.1297 5.1297 6.0270 6.0270 6.3675 6.3675 7.4092 7.4092 7.9903 7.9903 9.8266 9.8266 10.3740 10.3740 10.6624 10.6624 12.0802 12.0802 12.7251 12.7251 17.8750 17.8750 21.2048 21.2048 k = 0.6159 0.1689-0.6667 ( 3073 PWs) bands (ev): -81.2364 -81.2364 -46.9176 -46.9176 -45.2257 -45.2257 -45.1301 -45.1301 -40.4049 -40.4049 -12.5862 -12.5862 -12.3588 -12.3588 -12.2714 -12.2714 -7.8755 -7.8755 -7.2913 -7.2913 4.3459 4.3459 5.1396 5.1396 6.0221 6.0221 6.3508 6.3508 7.4186 7.4186 8.0221 8.0221 9.8351 9.8351 10.3835 10.3835 10.6739 10.6739 12.0548 12.0548 12.7199 12.7199 17.8344 17.8344 21.1362 21.1362 k = 0.6133 0.1682-0.6497 ( 3071 PWs) bands (ev): -81.2365 -81.2365 -46.9170 -46.9170 -45.2248 -45.2248 -45.1300 -45.1300 -40.4057 -40.4057 -12.5804 -12.5804 -12.3593 -12.3593 -12.2717 -12.2717 -7.9027 -7.9027 -7.2923 -7.2923 4.3840 4.3840 5.1528 5.1528 6.0165 6.0165 6.3346 6.3346 7.4293 7.4293 8.0531 8.0531 9.8431 9.8431 10.3919 10.3919 10.6846 10.6846 12.0293 12.0293 12.7147 12.7147 17.7940 17.7940 21.0641 21.0641 k = 0.6107 0.1674-0.6326 ( 3073 PWs) bands (ev): -81.2367 -81.2367 -46.9166 -46.9166 -45.2238 -45.2238 -45.1300 -45.1300 -40.4064 -40.4064 -12.5745 -12.5745 -12.3598 -12.3598 -12.2719 -12.2719 -7.9303 -7.9303 -7.2938 -7.2938 4.4206 4.4206 5.1691 5.1691 6.0102 6.0102 6.3196 6.3196 7.4412 7.4412 8.0831 8.0831 9.8507 9.8507 10.3987 10.3987 10.6958 10.6958 12.0046 12.0046 12.7096 12.7096 17.7540 17.7540 20.9888 20.9888 k = 0.6080 0.1667-0.6156 ( 3072 PWs) bands (ev): -81.2368 -81.2368 -46.9160 -46.9160 -45.2228 -45.2228 -45.1299 -45.1299 -40.4073 -40.4073 -12.5686 -12.5686 -12.3604 -12.3604 -12.2720 -12.2720 -7.9581 -7.9581 -7.2956 -7.2956 4.4555 4.4555 5.1882 5.1882 6.0032 6.0032 6.3064 6.3064 7.4546 7.4546 8.1117 8.1117 9.8583 9.8583 10.4049 10.4049 10.7075 10.7075 11.9814 11.9814 12.7050 12.7050 17.7143 17.7143 20.9105 20.9105 k = 0.6054 0.1660-0.5985 ( 3072 PWs) bands (ev): -81.2370 -81.2370 -46.9155 -46.9155 -45.2218 -45.2218 -45.1299 -45.1299 -40.4081 -40.4081 -12.5626 -12.5626 -12.3610 -12.3610 -12.2719 -12.2719 -7.9862 -7.9862 -7.2979 -7.2979 4.4886 4.4886 5.2097 5.2097 5.9956 5.9956 6.2959 6.2959 7.4694 7.4694 8.1383 8.1383 9.8652 9.8652 10.4105 10.4105 10.7195 10.7195 11.9600 11.9600 12.7009 12.7009 17.6749 17.6749 20.8292 20.8292 k = 0.6028 0.1653-0.5815 ( 3070 PWs) bands (ev): -81.2371 -81.2371 -46.9149 -46.9149 -45.2207 -45.2207 -45.1298 -45.1298 -40.4089 -40.4089 -12.5567 -12.5567 -12.3616 -12.3616 -12.2717 -12.2717 -8.0145 -8.0145 -7.3004 -7.3004 4.5198 4.5198 5.2328 5.2328 5.9874 5.9874 6.2889 6.2889 7.4858 7.4858 8.1626 8.1626 9.8717 9.8717 10.4152 10.4152 10.7325 10.7325 11.9404 11.9404 12.6973 12.6973 17.6358 17.6358 20.7451 20.7451 k = 0.6001 0.1646-0.5645 ( 3068 PWs) bands (ev): -81.2371 -81.2371 -46.9143 -46.9143 -45.2196 -45.2196 -45.1297 -45.1297 -40.4098 -40.4098 -12.5508 -12.5508 -12.3622 -12.3622 -12.2713 -12.2713 -8.0429 -8.0429 -7.3032 -7.3032 4.5492 4.5492 5.2565 5.2565 5.9785 5.9785 6.2864 6.2864 7.5036 7.5036 8.1842 8.1842 9.8774 9.8774 10.4189 10.4189 10.7457 10.7457 11.9238 11.9238 12.6943 12.6943 17.5970 17.5970 20.6584 20.6584 k = 0.5975 0.1638-0.5474 ( 3058 PWs) bands (ev): -81.2369 -81.2369 -46.9137 -46.9137 -45.2185 -45.2185 -45.1296 -45.1296 -40.4107 -40.4107 -12.5449 -12.5449 -12.3627 -12.3627 -12.2708 -12.2708 -8.0714 -8.0714 -7.3064 -7.3064 4.5771 4.5771 5.2797 5.2797 5.9691 5.9691 6.2895 6.2895 7.5231 7.5231 8.2029 8.2029 9.8839 9.8839 10.4219 10.4219 10.7593 10.7593 11.9103 11.9103 12.6926 12.6926 17.5585 17.5585 20.5696 20.5696 k = 0.5949 0.1631-0.5304 ( 3057 PWs) bands (ev): -81.2371 -81.2371 -46.9131 -46.9131 -45.2174 -45.2174 -45.1295 -45.1295 -40.4116 -40.4116 -12.5393 -12.5393 -12.3631 -12.3631 -12.2701 -12.2701 -8.0999 -8.0999 -7.3097 -7.3097 4.6037 4.6037 5.3009 5.3009 5.9590 5.9590 6.2992 6.2992 7.5439 7.5439 8.2180 8.2180 9.8884 9.8884 10.4225 10.4225 10.7735 10.7735 11.8988 11.8988 12.6909 12.6909 17.5201 17.5201 20.4785 20.4785 k = 0.5922 0.1624-0.5133 ( 3065 PWs) bands (ev): -81.2375 -81.2375 -46.9126 -46.9126 -45.2164 -45.2164 -45.1295 -45.1295 -40.4125 -40.4125 -12.5340 -12.5340 -12.3634 -12.3634 -12.2694 -12.2694 -8.1283 -8.1283 -7.3134 -7.3134 4.6290 4.6290 5.3193 5.3193 5.9482 5.9482 6.3160 6.3160 7.5662 7.5662 8.2296 8.2296 9.8929 9.8929 10.4210 10.4210 10.7859 10.7859 11.8896 11.8896 12.6893 12.6893 17.4819 17.4819 20.3855 20.3855 k = 0.5896 0.1617-0.4963 ( 3059 PWs) bands (ev): -81.2375 -81.2375 -46.9120 -46.9120 -45.2152 -45.2152 -45.1294 -45.1294 -40.4134 -40.4134 -12.5288 -12.5288 -12.3634 -12.3634 -12.2684 -12.2684 -8.1567 -8.1567 -7.3172 -7.3172 4.6537 4.6537 5.3337 5.3337 5.9373 5.9373 6.3411 6.3411 7.5900 7.5900 8.2371 8.2371 9.8975 9.8975 10.4193 10.4193 10.7998 10.7998 11.8844 11.8844 12.6899 12.6899 17.4438 17.4438 20.2910 20.2910 k = 0.5870 0.1609-0.4792 ( 3061 PWs) bands (ev): -81.2377 -81.2377 -46.9114 -46.9114 -45.2141 -45.2141 -45.1293 -45.1293 -40.4143 -40.4143 -12.5240 -12.5240 -12.3633 -12.3633 -12.2673 -12.2673 -8.1848 -8.1848 -7.3213 -7.3213 4.6781 4.6781 5.3434 5.3434 5.9256 5.9256 6.3746 6.3746 7.6152 7.6152 8.2406 8.2406 9.9015 9.9015 10.4149 10.4149 10.8133 10.8133 11.8823 11.8823 12.6905 12.6905 17.4058 17.4058 20.1951 20.1951 k = 0.5843 0.1602-0.4622 ( 3061 PWs) bands (ev): -81.2379 -81.2379 -46.9108 -46.9108 -45.2130 -45.2130 -45.1293 -45.1293 -40.4152 -40.4152 -12.5196 -12.5196 -12.3629 -12.3629 -12.2661 -12.2661 -8.2127 -8.2127 -7.3255 -7.3255 4.7023 4.7023 5.3483 5.3483 5.9137 5.9137 6.4167 6.4167 7.6419 7.6419 8.2397 8.2397 9.9053 9.9053 10.4090 10.4090 10.8262 10.8262 11.8841 11.8841 12.6924 12.6924 17.3679 17.3679 20.0981 20.0981 k = 0.5817 0.1595-0.4452 ( 3057 PWs) bands (ev): -81.2379 -81.2379 -46.9102 -46.9102 -45.2118 -45.2118 -45.1292 -45.1292 -40.4161 -40.4161 -12.5156 -12.5156 -12.3621 -12.3621 -12.2648 -12.2648 -8.2404 -8.2404 -7.3299 -7.3299 4.7268 4.7268 5.3483 5.3483 5.9015 5.9015 6.4667 6.4667 7.6700 7.6700 8.2344 8.2344 9.9091 9.9091 10.4018 10.4018 10.8387 10.8387 11.8905 11.8905 12.6952 12.6952 17.3302 17.3302 20.0003 20.0003 k = 0.5790 0.1588-0.4281 ( 3057 PWs) bands (ev): -81.2381 -81.2381 -46.9096 -46.9096 -45.2107 -45.2107 -45.1291 -45.1291 -40.4171 -40.4171 -12.5120 -12.5120 -12.3610 -12.3610 -12.2633 -12.2633 -8.2677 -8.2677 -7.3344 -7.3344 4.7516 4.7516 5.3439 5.3439 5.8888 5.8888 6.5242 6.5242 7.6994 7.6994 8.2248 8.2248 9.9124 9.9124 10.3923 10.3923 10.8510 10.8510 11.9005 11.9005 12.6982 12.6982 17.2924 17.2924 19.9020 19.9020 k = 0.5764 0.1580-0.4111 ( 3055 PWs) bands (ev): -81.2382 -81.2382 -46.9090 -46.9090 -45.2096 -45.2096 -45.1290 -45.1290 -40.4180 -40.4180 -12.5090 -12.5090 -12.3595 -12.3595 -12.2618 -12.2618 -8.2946 -8.2946 -7.3390 -7.3390 4.7770 4.7770 5.3354 5.3354 5.8759 5.8759 6.5883 6.5883 7.7302 7.7302 8.2108 8.2108 9.9148 9.9148 10.3818 10.3818 10.8627 10.8627 11.9149 11.9149 12.7019 12.7019 17.2547 17.2547 19.8033 19.8033 k = 0.5738 0.1573-0.3940 ( 3054 PWs) bands (ev): -81.2383 -81.2383 -46.9084 -46.9084 -45.2085 -45.2085 -45.1289 -45.1289 -40.4189 -40.4189 -12.5065 -12.5065 -12.3577 -12.3577 -12.2601 -12.2601 -8.3210 -8.3210 -7.3437 -7.3437 4.8030 4.8030 5.3236 5.3236 5.8629 5.8629 6.6581 6.6581 7.7621 7.7621 8.1926 8.1926 9.9170 9.9170 10.3692 10.3692 10.8729 10.8729 11.9335 11.9335 12.7069 12.7069 17.2171 17.2171 19.7045 19.7045 k = 0.5711 0.1566-0.3770 ( 3052 PWs) bands (ev): -81.2384 -81.2384 -46.9079 -46.9079 -45.2074 -45.2074 -45.1288 -45.1288 -40.4198 -40.4198 -12.5045 -12.5045 -12.3554 -12.3554 -12.2582 -12.2582 -8.3470 -8.3470 -7.3485 -7.3485 4.8299 4.8299 5.3091 5.3091 5.8499 5.8499 6.7329 6.7329 7.7952 7.7952 8.1702 8.1702 9.9184 9.9184 10.3546 10.3546 10.8820 10.8820 11.9567 11.9567 12.7131 12.7131 17.1795 17.1795 19.6061 19.6061 k = 0.5685 0.1559-0.3600 ( 3053 PWs) bands (ev): -81.2386 -81.2386 -46.9073 -46.9073 -45.2063 -45.2063 -45.1287 -45.1287 -40.4207 -40.4207 -12.5030 -12.5030 -12.3529 -12.3529 -12.2563 -12.2563 -8.3724 -8.3724 -7.3534 -7.3534 4.8576 4.8576 5.2924 5.2924 5.8368 5.8368 6.8119 6.8119 7.8293 7.8293 8.1440 8.1440 9.9198 9.9198 10.3376 10.3376 10.8899 10.8899 11.9830 11.9830 12.7196 12.7196 17.1419 17.1419 19.5082 19.5082 k = 0.5659 0.1552-0.3429 ( 3049 PWs) bands (ev): -81.2386 -81.2386 -46.9067 -46.9067 -45.2052 -45.2052 -45.1286 -45.1286 -40.4215 -40.4215 -12.5021 -12.5021 -12.3500 -12.3500 -12.2543 -12.2543 -8.3972 -8.3972 -7.3583 -7.3583 4.8863 4.8863 5.2741 5.2741 5.8237 5.8237 6.8943 6.8943 7.8645 7.8645 8.1141 8.1141 9.9207 9.9207 10.3196 10.3196 10.8968 10.8968 12.0135 12.0135 12.7274 12.7274 17.1044 17.1044 19.4111 19.4111 k = 0.5632 0.1544-0.3259 ( 3053 PWs) bands (ev): -81.2389 -81.2389 -46.9062 -46.9062 -45.2043 -45.2043 -45.1285 -45.1285 -40.4224 -40.4224 -12.5016 -12.5016 -12.3468 -12.3468 -12.2522 -12.2522 -8.4214 -8.4214 -7.3632 -7.3632 4.9159 4.9159 5.2545 5.2545 5.8105 5.8105 6.9792 6.9792 7.9004 7.9004 8.0810 8.0810 9.9203 9.9203 10.2994 10.2994 10.9018 10.9018 12.0471 12.0471 12.7351 12.7351 17.0669 17.0669 19.3149 19.3149 k = 0.5606 0.1537-0.3088 ( 3059 PWs) bands (ev): -81.2393 -81.2393 -46.9057 -46.9057 -45.2033 -45.2033 -45.1285 -45.1285 -40.4233 -40.4233 -12.5015 -12.5015 -12.3435 -12.3435 -12.2500 -12.2500 -8.4449 -8.4449 -7.3681 -7.3681 4.9465 4.9465 5.2341 5.2341 5.7974 5.7974 7.0663 7.0663 7.9368 7.9368 8.0453 8.0453 9.9194 9.9194 10.2769 10.2769 10.9053 10.9053 12.0836 12.0836 12.7433 12.7433 17.0296 17.0296 19.2201 19.2201 k = 0.5580 0.1530-0.2918 ( 3069 PWs) bands (ev): -81.2398 -81.2398 -46.9053 -46.9053 -45.2024 -45.2024 -45.1285 -45.1285 -40.4241 -40.4241 -12.5019 -12.5019 -12.3400 -12.3400 -12.2478 -12.2478 -8.4677 -8.4677 -7.3730 -7.3730 4.9780 4.9780 5.2132 5.2132 5.7843 5.7843 7.1547 7.1547 7.9711 7.9711 8.0096 8.0096 9.9173 9.9173 10.2527 10.2527 10.9075 10.9075 12.1229 12.1229 12.7514 12.7514 16.9923 16.9923 19.1269 19.1269 k = 0.5553 0.1523-0.2747 ( 3071 PWs) bands (ev): -81.2401 -81.2401 -46.9049 -46.9049 -45.2014 -45.2014 -45.1284 -45.1284 -40.4249 -40.4249 -12.5025 -12.5025 -12.3363 -12.3363 -12.2454 -12.2454 -8.4898 -8.4898 -7.3778 -7.3778 5.0106 5.0106 5.1922 5.1922 5.7715 5.7715 7.2442 7.2442 7.9602 7.9602 8.0178 8.0178 9.9150 9.9150 10.2277 10.2277 10.9089 10.9089 12.1654 12.1654 12.7603 12.7603 16.9554 16.9554 19.0355 19.0355 k = 0.5527 0.1515-0.2577 ( 3071 PWs) bands (ev): -81.2402 -81.2402 -46.9044 -46.9044 -45.2005 -45.2005 -45.1283 -45.1283 -40.4257 -40.4257 -12.5034 -12.5034 -12.3326 -12.3326 -12.2429 -12.2429 -8.5110 -8.5110 -7.3826 -7.3826 5.0439 5.0439 5.1713 5.1713 5.7592 5.7592 7.3337 7.3337 7.9191 7.9191 8.0553 8.0553 9.9120 9.9120 10.2019 10.2019 10.9086 10.9086 12.2101 12.2101 12.7702 12.7702 16.9187 16.9187 18.9463 18.9463 k = 0.5501 0.1508-0.2407 ( 3075 PWs) bands (ev): -81.2405 -81.2405 -46.9039 -46.9039 -45.1997 -45.1997 -45.1282 -45.1282 -40.4264 -40.4264 -12.5045 -12.5045 -12.3289 -12.3289 -12.2404 -12.2404 -8.5314 -8.5314 -7.3873 -7.3873 5.0777 5.0777 5.1510 5.1510 5.7470 5.7470 7.4224 7.4224 7.8760 7.8760 8.0945 8.0945 9.9079 9.9079 10.1741 10.1741 10.9071 10.9071 12.2561 12.2561 12.7797 12.7797 16.8823 16.8823 18.8594 18.8594 k = 0.5474 0.1501-0.2236 ( 3075 PWs) bands (ev): -81.2406 -81.2406 -46.9035 -46.9035 -45.1988 -45.1988 -45.1281 -45.1281 -40.4272 -40.4272 -12.5058 -12.5058 -12.3253 -12.3253 -12.2378 -12.2378 -8.5510 -8.5510 -7.3919 -7.3919 5.1090 5.1090 5.1346 5.1346 5.7353 5.7353 7.5084 7.5084 7.8339 7.8339 8.1343 8.1343 9.9029 9.9029 10.1453 10.1453 10.9050 10.9050 12.3039 12.3039 12.7900 12.7900 16.8463 16.8463 18.7752 18.7752 k = 0.5448 0.1494-0.2066 ( 3077 PWs) bands (ev): -81.2408 -81.2408 -46.9031 -46.9031 -45.1980 -45.1980 -45.1280 -45.1280 -40.4279 -40.4279 -12.5072 -12.5072 -12.3218 -12.3218 -12.2352 -12.2352 -8.5696 -8.5696 -7.3964 -7.3964 5.1063 5.1063 5.1531 5.1531 5.7240 5.7240 7.5858 7.5858 7.7984 7.7984 8.1746 8.1746 9.8966 9.8966 10.1159 10.1159 10.9015 10.9015 12.3521 12.3521 12.8003 12.8003 16.8108 16.8108 18.6938 18.6938 k = 0.5422 0.1487-0.1895 ( 3071 PWs) bands (ev): -81.2407 -81.2407 -46.9026 -46.9026 -45.1971 -45.1971 -45.1279 -45.1279 -40.4285 -40.4285 -12.5087 -12.5087 -12.3183 -12.3183 -12.2325 -12.2325 -8.5873 -8.5873 -7.4007 -7.4007 5.0884 5.0884 5.1885 5.1885 5.7132 5.7132 7.6345 7.6345 7.7902 7.7902 8.2150 8.2150 9.8901 9.8901 10.0852 10.0852 10.8977 10.8977 12.4024 12.4024 12.8108 12.8108 16.7761 16.7761 18.6156 18.6156 k = 0.5395 0.1479-0.1725 ( 3069 PWs) bands (ev): -81.2408 -81.2408 -46.9021 -46.9021 -45.1964 -45.1964 -45.1278 -45.1278 -40.4292 -40.4292 -12.5103 -12.5103 -12.3151 -12.3151 -12.2298 -12.2298 -8.6041 -8.6041 -7.4048 -7.4048 5.0703 5.0703 5.2251 5.2251 5.7029 5.7029 7.6279 7.6279 7.8355 7.8355 8.2554 8.2554 9.8820 9.8820 10.0538 10.0538 10.8929 10.8929 12.4516 12.4516 12.8214 12.8214 16.7420 16.7420 18.5408 18.5408 k = 0.5369 0.1472-0.1555 ( 3073 PWs) bands (ev): -81.2410 -81.2410 -46.9018 -46.9018 -45.1957 -45.1957 -45.1277 -45.1277 -40.4298 -40.4298 -12.5119 -12.5119 -12.3120 -12.3120 -12.2272 -12.2272 -8.6199 -8.6199 -7.4088 -7.4088 5.0527 5.0527 5.2621 5.2621 5.6931 5.6931 7.5914 7.5914 7.9089 7.9089 8.2955 8.2955 9.8720 9.8720 10.0216 10.0216 10.8870 10.8870 12.5000 12.5000 12.8315 12.8315 16.7088 16.7088 18.4695 18.4695 k = 0.5343 0.1465-0.1384 ( 3071 PWs) bands (ev): -81.2411 -81.2411 -46.9014 -46.9014 -45.1950 -45.1950 -45.1276 -45.1276 -40.4303 -40.4303 -12.5135 -12.5135 -12.3091 -12.3091 -12.2246 -12.2246 -8.6348 -8.6348 -7.4126 -7.4126 5.0361 5.0361 5.2993 5.2993 5.6838 5.6838 7.5467 7.5467 7.9889 7.9889 8.3353 8.3353 9.8612 9.8612 9.9895 9.9895 10.8811 10.8811 12.5481 12.5481 12.8414 12.8414 16.6766 16.6766 18.4020 18.4020 k = 0.5316 0.1458-0.1214 ( 3069 PWs) bands (ev): -81.2411 -81.2411 -46.9011 -46.9011 -45.1943 -45.1943 -45.1275 -45.1275 -40.4309 -40.4309 -12.5150 -12.5150 -12.3065 -12.3065 -12.2220 -12.2220 -8.6486 -8.6486 -7.4162 -7.4162 5.0203 5.0203 5.3363 5.3363 5.6751 5.6751 7.4997 7.4997 8.0695 8.0695 8.3746 8.3746 9.8497 9.8497 9.9572 9.9572 10.8747 10.8747 12.5945 12.5945 12.8511 12.8511 16.6457 16.6457 18.3386 18.3386 k = 0.5290 0.1450-0.1043 ( 3072 PWs) bands (ev): -81.2413 -81.2413 -46.9008 -46.9008 -45.1938 -45.1938 -45.1275 -45.1275 -40.4314 -40.4314 -12.5166 -12.5166 -12.3040 -12.3040 -12.2195 -12.2195 -8.6613 -8.6613 -7.4195 -7.4195 5.0057 5.0057 5.3725 5.3725 5.6669 5.6669 7.4524 7.4524 8.1485 8.1485 8.4130 8.4130 9.8363 9.8363 9.9254 9.9254 10.8678 10.8678 12.6382 12.6382 12.8602 12.8602 16.6161 16.6161 18.2795 18.2795 k = 0.5263 0.1443-0.0873 ( 3070 PWs) bands (ev): -81.2413 -81.2413 -46.9005 -46.9005 -45.1932 -45.1932 -45.1274 -45.1274 -40.4318 -40.4318 -12.5180 -12.5180 -12.3018 -12.3018 -12.2172 -12.2172 -8.6731 -8.6731 -7.4227 -7.4227 4.9921 4.9921 5.4082 5.4082 5.6595 5.6595 7.4060 7.4060 8.2249 8.2249 8.4503 8.4503 9.8224 9.8224 9.8938 9.8938 10.8613 10.8613 12.6807 12.6807 12.8690 12.8690 16.5881 16.5881 18.2247 18.2247 k = 0.5237 0.1436-0.0703 ( 3060 PWs) bands (ev): -81.2410 -81.2410 -46.9001 -46.9001 -45.1926 -45.1926 -45.1273 -45.1273 -40.4322 -40.4322 -12.5194 -12.5194 -12.2998 -12.2998 -12.2149 -12.2149 -8.6837 -8.6837 -7.4255 -7.4255 4.9797 4.9797 5.4427 5.4427 5.6531 5.6531 7.3612 7.3612 8.2979 8.2979 8.4863 8.4863 9.8081 9.8081 9.8642 9.8642 10.8549 10.8549 12.7206 12.7206 12.8786 12.8786 16.5620 16.5620 18.1746 18.1746 k = 0.5211 0.1429-0.0532 ( 3060 PWs) bands (ev): -81.2410 -81.2410 -46.8999 -46.8999 -45.1922 -45.1922 -45.1272 -45.1272 -40.4326 -40.4326 -12.5206 -12.5206 -12.2980 -12.2980 -12.2128 -12.2128 -8.6933 -8.6933 -7.4281 -7.4281 4.9685 4.9685 5.4755 5.4755 5.6470 5.6470 7.3187 7.3187 8.3665 8.3665 8.5205 8.5205 9.7921 9.7921 9.8348 9.8348 10.8486 10.8486 12.7572 12.7572 12.8865 12.8865 16.5378 16.5378 18.1293 18.1293 k = 0.5184 0.1422-0.0362 ( 3063 PWs) bands (ev): -81.2412 -81.2412 -46.8997 -46.8997 -45.1918 -45.1918 -45.1272 -45.1272 -40.4329 -40.4329 -12.5218 -12.5218 -12.2964 -12.2964 -12.2109 -12.2109 -8.7017 -8.7017 -7.4304 -7.4304 4.9584 4.9584 5.5064 5.5064 5.6415 5.6415 7.2790 7.2790 8.4301 8.4301 8.5526 8.5526 9.7756 9.7756 9.8065 9.8065 10.8419 10.8419 12.7906 12.7906 12.8936 12.8936 16.5158 16.5158 18.0887 18.0887 k = 0.5158 0.1414-0.0191 ( 3069 PWs) bands (ev): -81.2415 -81.2415 -46.8996 -46.8996 -45.1915 -45.1915 -45.1273 -45.1273 -40.4332 -40.4332 -12.5229 -12.5229 -12.2951 -12.2951 -12.2092 -12.2092 -8.7091 -8.7091 -7.4325 -7.4325 4.9494 4.9494 5.5345 5.5345 5.6369 5.6369 7.2429 7.2429 8.4877 8.4877 8.5822 8.5822 9.7589 9.7589 9.7813 9.7813 10.8343 10.8343 12.8195 12.8195 12.9006 12.9006 16.4962 16.4962 18.0531 18.0531 k = 0.5132 0.1407-0.0021 ( 3073 PWs) bands (ev): -81.2417 -81.2417 -46.8995 -46.8995 -45.1912 -45.1912 -45.1273 -45.1273 -40.4335 -40.4335 -12.5238 -12.5238 -12.2940 -12.2940 -12.2078 -12.2078 -8.7154 -8.7154 -7.4342 -7.4342 4.9419 4.9419 5.5593 5.5593 5.6330 5.6330 7.2110 7.2110 8.5382 8.5382 8.6091 8.6091 9.7429 9.7429 9.7585 9.7585 10.8289 10.8289 12.8432 12.8432 12.9070 12.9070 16.4793 16.4793 18.0229 18.0229 k = 0.5105 0.1400 0.0150 ( 3071 PWs) bands (ev): -81.2417 -81.2417 -46.8993 -46.8993 -45.1909 -45.1909 -45.1272 -45.1272 -40.4337 -40.4337 -12.5245 -12.5245 -12.2931 -12.2931 -12.2066 -12.2066 -8.7205 -8.7205 -7.4356 -7.4356 4.9359 4.9359 5.5805 5.5805 5.6301 5.6301 7.1838 7.1838 8.5805 8.5805 8.6330 8.6330 9.7279 9.7279 9.7398 9.7398 10.8248 10.8248 12.8625 12.8625 12.9138 12.9138 16.4652 16.4652 17.9982 17.9982 k = 0.5079 0.1393 0.0320 ( 3076 PWs) bands (ev): -81.2419 -81.2419 -46.8993 -46.8993 -45.1908 -45.1908 -45.1273 -45.1273 -40.4338 -40.4338 -12.5251 -12.5251 -12.2924 -12.2924 -12.2056 -12.2056 -8.7245 -8.7245 -7.4367 -7.4367 4.9311 4.9311 5.5968 5.5968 5.6283 5.6283 7.1619 7.1619 8.6133 8.6133 8.6538 8.6538 9.7143 9.7143 9.7247 9.7247 10.8207 10.8207 12.8761 12.8761 12.9199 12.9199 16.4540 16.4540 17.9787 17.9787 k = 0.5053 0.1385 0.0490 ( 3078 PWs) bands (ev): -81.2420 -81.2420 -46.8992 -46.8992 -45.1907 -45.1907 -45.1273 -45.1273 -40.4340 -40.4340 -12.5255 -12.5255 -12.2919 -12.2919 -12.2050 -12.2050 -8.7273 -8.7273 -7.4375 -7.4375 4.9277 4.9277 5.6076 5.6076 5.6282 5.6282 7.1459 7.1459 8.6357 8.6357 8.6708 8.6708 9.7036 9.7036 9.7139 9.7139 10.8183 10.8183 12.8847 12.8847 12.9254 12.9254 16.4459 16.4459 17.9648 17.9648 k = 0.5026 0.1378 0.0661 ( 3076 PWs) bands (ev): -81.2419 -81.2419 -46.8991 -46.8991 -45.1906 -45.1906 -45.1272 -45.1272 -40.4340 -40.4340 -12.5258 -12.5258 -12.2916 -12.2916 -12.2045 -12.2045 -8.7290 -8.7290 -7.4380 -7.4380 4.9257 4.9257 5.6126 5.6126 5.6298 5.6298 7.1361 7.1361 8.6484 8.6484 8.6823 8.6823 9.6972 9.6972 9.7078 9.7078 10.8172 10.8172 12.8893 12.8893 12.9294 12.9294 16.4410 16.4410 17.9565 17.9565 k = 0.5000 0.1371 0.0831 ( 3082 PWs) bands (ev): -81.2421 -81.2421 -46.8992 -46.8992 -45.1906 -45.1906 -45.1272 -45.1272 -40.4341 -40.4341 -12.5258 -12.5258 -12.2915 -12.2915 -12.2044 -12.2044 -8.7296 -8.7296 -7.4382 -7.4382 4.9250 4.9250 5.6136 5.6136 5.6306 5.6306 7.1328 7.1328 8.6524 8.6524 8.6864 8.6864 9.6949 9.6949 9.7056 9.7056 10.8161 10.8161 12.8899 12.8899 12.9299 12.9299 16.4394 16.4394 17.9537 17.9537 k = 0.5000-0.8432-0.5112 ( 3066 PWs) bands (ev): -81.2347 -81.2347 -46.9225 -46.9225 -45.2353 -45.2353 -45.1305 -45.1305 -40.3970 -40.3970 -12.6501 -12.6501 -12.3567 -12.3567 -12.2604 -12.2604 -7.4797 -7.4797 -7.3956 -7.3956 4.0263 4.0263 5.2796 5.2796 6.0573 6.0573 6.3144 6.3144 7.3389 7.3389 7.3764 7.3764 9.8080 9.8080 10.2573 10.2573 10.5926 10.5926 12.3516 12.3516 12.7921 12.7921 19.5826 19.5826 19.8780 19.8780 k = 0.5151-0.8367-0.5073 ( 3062 PWs) bands (ev): -81.2346 -81.2346 -46.9225 -46.9225 -45.2352 -45.2352 -45.1305 -45.1305 -40.3970 -40.3970 -12.6501 -12.6501 -12.3567 -12.3567 -12.2604 -12.2604 -7.4800 -7.4800 -7.3953 -7.3953 4.0258 4.0258 5.2793 5.2793 6.0575 6.0575 6.3151 6.3151 7.3394 7.3394 7.3768 7.3768 9.8078 9.8078 10.2575 10.2575 10.5929 10.5929 12.3520 12.3520 12.7931 12.7931 19.5699 19.5699 19.8882 19.8882 k = 0.5301-0.8302-0.5033 ( 3062 PWs) bands (ev): -81.2346 -81.2346 -46.9225 -46.9225 -45.2352 -45.2352 -45.1305 -45.1305 -40.3970 -40.3970 -12.6501 -12.6501 -12.3567 -12.3567 -12.2604 -12.2604 -7.4808 -7.4808 -7.3945 -7.3945 4.0238 4.0238 5.2785 5.2785 6.0574 6.0574 6.3172 6.3172 7.3409 7.3409 7.3781 7.3781 9.8071 9.8071 10.2577 10.2577 10.5925 10.5925 12.3526 12.3526 12.7929 12.7929 19.5362 19.5362 19.9143 19.9143 k = 0.5452-0.8236-0.4994 ( 3056 PWs) bands (ev): -81.2344 -81.2344 -46.9224 -46.9224 -45.2352 -45.2352 -45.1304 -45.1304 -40.3970 -40.3970 -12.6500 -12.6500 -12.3567 -12.3567 -12.2604 -12.2604 -7.4822 -7.4822 -7.3931 -7.3931 4.0208 4.0208 5.2772 5.2772 6.0575 6.0575 6.3207 6.3207 7.3430 7.3430 7.3805 7.3805 9.8062 9.8062 10.2579 10.2579 10.5929 10.5929 12.3542 12.3542 12.7936 12.7936 19.4892 19.4892 19.9488 19.9488 k = 0.5602-0.8171-0.4954 ( 3054 PWs) bands (ev): -81.2343 -81.2343 -46.9224 -46.9224 -45.2351 -45.2351 -45.1304 -45.1304 -40.3970 -40.3970 -12.6499 -12.6499 -12.3567 -12.3567 -12.2604 -12.2604 -7.4841 -7.4841 -7.3912 -7.3912 4.0164 4.0164 5.2753 5.2753 6.0576 6.0576 6.3254 6.3254 7.3456 7.3456 7.3842 7.3842 9.8037 9.8037 10.2578 10.2578 10.5930 10.5930 12.3561 12.3561 12.7943 12.7943 19.4345 19.4345 19.9860 19.9860 k = 0.5753-0.8106-0.4915 ( 3056 PWs) bands (ev): -81.2344 -81.2344 -46.9224 -46.9224 -45.2352 -45.2352 -45.1304 -45.1304 -40.3970 -40.3970 -12.6499 -12.6499 -12.3567 -12.3567 -12.2604 -12.2604 -7.4863 -7.4863 -7.3890 -7.3890 4.0108 4.0108 5.2730 5.2730 6.0574 6.0574 6.3313 6.3313 7.3483 7.3483 7.3894 7.3894 9.8010 9.8010 10.2579 10.2579 10.5923 10.5923 12.3575 12.3575 12.7944 12.7944 19.3751 19.3751 20.0229 20.0229 k = 0.5903-0.8040-0.4875 ( 3056 PWs) bands (ev): -81.2344 -81.2344 -46.9224 -46.9224 -45.2352 -45.2352 -45.1304 -45.1304 -40.3970 -40.3970 -12.6498 -12.6498 -12.3567 -12.3567 -12.2605 -12.2605 -7.4889 -7.4889 -7.3865 -7.3865 4.0043 4.0043 5.2703 5.2703 6.0573 6.0573 6.3383 6.3383 7.3508 7.3508 7.3964 7.3964 9.7975 9.7975 10.2575 10.2575 10.5923 10.5923 12.3595 12.3595 12.7950 12.7950 19.3130 19.3130 20.0577 20.0577 k = 0.6054-0.7975-0.4835 ( 3061 PWs) bands (ev): -81.2346 -81.2346 -46.9225 -46.9225 -45.2352 -45.2352 -45.1304 -45.1304 -40.3970 -40.3970 -12.6497 -12.6497 -12.3567 -12.3567 -12.2605 -12.2605 -7.4916 -7.4916 -7.3838 -7.3838 3.9969 3.9969 5.2672 5.2672 6.0571 6.0571 6.3460 6.3460 7.3530 7.3530 7.4053 7.4053 9.7941 9.7941 10.2573 10.2573 10.5909 10.5909 12.3607 12.3607 12.7949 12.7949 19.2494 19.2494 20.0895 20.0895 k = 0.6205-0.7910-0.4796 ( 3062 PWs) bands (ev): -81.2347 -81.2347 -46.9225 -46.9225 -45.2352 -45.2352 -45.1304 -45.1304 -40.3971 -40.3971 -12.6496 -12.6496 -12.3567 -12.3567 -12.2606 -12.2606 -7.4944 -7.4944 -7.3810 -7.3810 3.9886 3.9886 5.2637 5.2637 6.0568 6.0568 6.3547 6.3547 7.3548 7.3548 7.4160 7.4160 9.7908 9.7908 10.2573 10.2573 10.5898 10.5898 12.3628 12.3628 12.7953 12.7953 19.1849 19.1849 20.1180 20.1180 k = 0.6355-0.7845-0.4756 ( 3063 PWs) bands (ev): -81.2347 -81.2347 -46.9225 -46.9225 -45.2352 -45.2352 -45.1304 -45.1304 -40.3971 -40.3971 -12.6495 -12.6495 -12.3568 -12.3568 -12.2606 -12.2606 -7.4974 -7.4974 -7.3781 -7.3781 3.9796 3.9796 5.2600 5.2600 6.0565 6.0565 6.3642 6.3642 7.3563 7.3563 7.4281 7.4281 9.7868 9.7868 10.2570 10.2570 10.5891 10.5891 12.3654 12.3654 12.7952 12.7952 19.1201 19.1201 20.1427 20.1427 k = 0.6506-0.7779-0.4717 ( 3066 PWs) bands (ev): -81.2348 -81.2348 -46.9225 -46.9225 -45.2352 -45.2352 -45.1305 -45.1305 -40.3971 -40.3971 -12.6493 -12.6493 -12.3568 -12.3568 -12.2607 -12.2607 -7.5003 -7.5003 -7.3753 -7.3753 3.9699 3.9699 5.2561 5.2561 6.0559 6.0559 6.3743 6.3743 7.3575 7.3575 7.4417 7.4417 9.7822 9.7822 10.2570 10.2570 10.5884 10.5884 12.3682 12.3682 12.7945 12.7945 19.0554 19.0554 20.1638 20.1638 k = 0.6656-0.7714-0.4677 ( 3066 PWs) bands (ev): -81.2348 -81.2348 -46.9225 -46.9225 -45.2352 -45.2352 -45.1305 -45.1305 -40.3971 -40.3971 -12.6492 -12.6492 -12.3568 -12.3568 -12.2608 -12.2608 -7.5032 -7.5032 -7.3725 -7.3725 3.9599 3.9599 5.2520 5.2520 6.0556 6.0556 6.3850 6.3850 7.3585 7.3585 7.4563 7.4563 9.7768 9.7768 10.2572 10.2572 10.5879 10.5879 12.3717 12.3717 12.7947 12.7947 18.9913 18.9913 20.1812 20.1812 k = 0.6807-0.7649-0.4637 ( 3070 PWs) bands (ev): -81.2350 -81.2350 -46.9225 -46.9225 -45.2352 -45.2352 -45.1305 -45.1305 -40.3971 -40.3971 -12.6490 -12.6490 -12.3568 -12.3568 -12.2609 -12.2609 -7.5060 -7.5060 -7.3698 -7.3698 3.9495 3.9495 5.2477 5.2477 6.0551 6.0551 6.3960 6.3960 7.3594 7.3594 7.4718 7.4718 9.7712 9.7712 10.2571 10.2571 10.5870 10.5870 12.3751 12.3751 12.7942 12.7942 18.9280 18.9280 20.1953 20.1953 k = 0.6957-0.7583-0.4598 ( 3068 PWs) bands (ev): -81.2349 -81.2349 -46.9225 -46.9225 -45.2352 -45.2352 -45.1305 -45.1305 -40.3971 -40.3971 -12.6488 -12.6488 -12.3568 -12.3568 -12.2609 -12.2609 -7.5087 -7.5087 -7.3673 -7.3673 3.9389 3.9389 5.2434 5.2434 6.0549 6.0549 6.4072 6.4072 7.3602 7.3602 7.4880 7.4880 9.7658 9.7658 10.2574 10.2574 10.5862 10.5862 12.3791 12.3791 12.7949 12.7949 18.8658 18.8658 20.2064 20.2064 k = 0.7108-0.7518-0.4558 ( 3071 PWs) bands (ev): -81.2350 -81.2350 -46.9225 -46.9225 -45.2352 -45.2352 -45.1305 -45.1305 -40.3971 -40.3971 -12.6486 -12.6486 -12.3568 -12.3568 -12.2610 -12.2610 -7.5113 -7.5113 -7.3650 -7.3650 3.9283 3.9283 5.2391 5.2391 6.0546 6.0546 6.4183 6.4183 7.3609 7.3609 7.5047 7.5047 9.7599 9.7599 10.2574 10.2574 10.5849 10.5849 12.3830 12.3830 12.7950 12.7950 18.8051 18.8051 20.2147 20.2147 k = 0.7259-0.7453-0.4519 ( 3068 PWs) bands (ev): -81.2349 -81.2349 -46.9225 -46.9225 -45.2351 -45.2351 -45.1305 -45.1305 -40.3972 -40.3972 -12.6484 -12.6484 -12.3569 -12.3569 -12.2611 -12.2611 -7.5136 -7.5136 -7.3629 -7.3629 3.9178 3.9178 5.2349 5.2349 6.0544 6.0544 6.4295 6.4295 7.3616 7.3616 7.5216 7.5216 9.7545 9.7545 10.2580 10.2580 10.5842 10.5842 12.3873 12.3873 12.7957 12.7957 18.7460 18.7460 20.2206 20.2206 k = 0.7409-0.7388-0.4479 ( 3066 PWs) bands (ev): -81.2349 -81.2349 -46.9225 -46.9225 -45.2351 -45.2351 -45.1305 -45.1305 -40.3972 -40.3972 -12.6482 -12.6482 -12.3569 -12.3569 -12.2612 -12.2612 -7.5158 -7.5158 -7.3610 -7.3610 3.9075 3.9075 5.2308 5.2308 6.0541 6.0541 6.4405 6.4405 7.3622 7.3622 7.5386 7.5386 9.7488 9.7488 10.2587 10.2587 10.5837 10.5837 12.3920 12.3920 12.7960 12.7960 18.6887 18.6887 20.2246 20.2246 k = 0.7560-0.7322-0.4440 ( 3068 PWs) bands (ev): -81.2349 -81.2349 -46.9225 -46.9225 -45.2351 -45.2351 -45.1305 -45.1305 -40.3972 -40.3972 -12.6480 -12.6480 -12.3569 -12.3569 -12.2613 -12.2613 -7.5178 -7.5178 -7.3594 -7.3594 3.8974 3.8974 5.2268 5.2268 6.0537 6.0537 6.4513 6.4513 7.3627 7.3627 7.5554 7.5554 9.7425 9.7425 10.2591 10.2591 10.5831 10.5831 12.3970 12.3970 12.7954 12.7954 18.6335 18.6335 20.2268 20.2268 k = 0.7710-0.7257-0.4400 ( 3068 PWs) bands (ev): -81.2349 -81.2349 -46.9225 -46.9225 -45.2351 -45.2351 -45.1305 -45.1305 -40.3972 -40.3972 -12.6478 -12.6478 -12.3569 -12.3569 -12.2613 -12.2613 -7.5195 -7.5195 -7.3581 -7.3581 3.8878 3.8878 5.2229 5.2229 6.0533 6.0533 6.4617 6.4617 7.3632 7.3632 7.5717 7.5717 9.7368 9.7368 10.2594 10.2594 10.5825 10.5825 12.4020 12.4020 12.7956 12.7956 18.5805 18.5805 20.2276 20.2276 k = 0.7861-0.7192-0.4360 ( 3066 PWs) bands (ev): -81.2349 -81.2349 -46.9224 -46.9224 -45.2351 -45.2351 -45.1305 -45.1305 -40.3972 -40.3972 -12.6475 -12.6475 -12.3569 -12.3569 -12.2614 -12.2614 -7.5210 -7.5210 -7.3571 -7.3571 3.8788 3.8788 5.2193 5.2193 6.0531 6.0531 6.4716 6.4716 7.3636 7.3636 7.5875 7.5875 9.7320 9.7320 10.2598 10.2598 10.5819 10.5819 12.4071 12.4071 12.7959 12.7959 18.5300 18.5300 20.2275 20.2275 k = 0.8011-0.7126-0.4321 ( 3063 PWs) bands (ev): -81.2347 -81.2347 -46.9224 -46.9224 -45.2350 -45.2350 -45.1304 -45.1304 -40.3973 -40.3973 -12.6473 -12.6473 -12.3569 -12.3569 -12.2615 -12.2615 -7.5223 -7.5223 -7.3565 -7.3565 3.8705 3.8705 5.2160 5.2160 6.0529 6.0529 6.4810 6.4810 7.3639 7.3639 7.6025 7.6025 9.7271 9.7271 10.2604 10.2604 10.5812 10.5812 12.4134 12.4134 12.7959 12.7959 18.4820 18.4820 20.2265 20.2265 k = 0.8162-0.7061-0.4281 ( 3063 PWs) bands (ev): -81.2348 -81.2348 -46.9224 -46.9224 -45.2350 -45.2350 -45.1305 -45.1305 -40.3973 -40.3973 -12.6470 -12.6470 -12.3569 -12.3569 -12.2616 -12.2616 -7.5232 -7.5232 -7.3561 -7.3561 3.8628 3.8628 5.2129 5.2129 6.0524 6.0524 6.4897 6.4897 7.3643 7.3643 7.6166 7.6166 9.7219 9.7219 10.2610 10.2610 10.5809 10.5809 12.4195 12.4195 12.7952 12.7952 18.4368 18.4368 20.2250 20.2250 Writing output data file NaCoO2.save init_run : 0.18s CPU 0.50s WALL ( 1 calls) electrons : 160.19s CPU 162.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 160.18s CPU 162.90s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 415 calls) cegterg : 145.09s CPU 146.48s WALL ( 429 calls) Called by sum_band: Called by *egterg: h_psi : 113.96s CPU 115.09s WALL ( 7217 calls) s_psi : 0.92s CPU 0.99s WALL ( 7217 calls) g_psi : 0.14s CPU 0.15s WALL ( 6373 calls) cdiaghg : 34.38s CPU 34.64s WALL ( 6788 calls) cegterg:over : 3.54s CPU 3.58s WALL ( 6373 calls) cegterg:upda : 2.37s CPU 2.44s WALL ( 6373 calls) cegterg:last : 1.72s CPU 1.83s WALL ( 1259 calls) cdiaghg:chol : 1.98s CPU 1.87s WALL ( 6788 calls) cdiaghg:inve : 1.11s CPU 1.13s WALL ( 6788 calls) cdiaghg:para : 2.09s CPU 2.06s WALL ( 13576 calls) Called by h_psi: h_psi:vloc : 109.57s CPU 110.66s WALL ( 7217 calls) h_psi:vnl : 4.22s CPU 4.29s WALL ( 7217 calls) add_vuspsi : 2.10s CPU 2.05s WALL ( 7217 calls) General routines calbec : 2.12s CPU 2.23s WALL ( 7217 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 103.90s CPU 104.67s WALL ( 680100 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.21s WALL ( 830 calls) Parallel routines fft_scatter : 26.44s CPU 26.64s WALL ( 680123 calls) PWSCF : 2m56.56s CPU 3m41.61s WALL This run was terminated on: 17:32:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=