Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 20:39:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PAuS4.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 67 26 7 4391 1080 160 Max 68 27 8 4397 1112 165 Sum 4859 1917 539 316331 78873 11665 bravais-lattice index = 14 lattice parameter (alat) = 11.1324 a.u. unit-cell volume = 2145.9043 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 80.00 number of Kohn-Sham states= 96 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.132376 celldm(2)= 1.181633 celldm(3)= 1.368698 celldm(4)= 0.204838 celldm(5)= 0.042050 celldm(6)= 0.185838 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.219592 1.161049 0.000000 ) a(3) = ( 0.057554 0.274446 1.339665 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.189133 -0.004215 ) b(2) = ( 0.000000 0.861290 -0.176445 ) b(3) = ( 0.000000 0.000000 0.746456 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Au 11.00 196.96660 Au( 1.00) P 5.00 30.97380 P( 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= 210 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.0945664 -0.0021076), wk = 0.0047619 k( 2) = ( 0.4821429 -0.0911890 -0.0020324), wk = 0.0047619 k( 3) = ( 0.4642857 -0.0878116 -0.0019571), wk = 0.0047619 k( 4) = ( 0.4464286 -0.0844343 -0.0018818), wk = 0.0047619 k( 5) = ( 0.4285714 -0.0810569 -0.0018065), wk = 0.0047619 k( 6) = ( 0.4107143 -0.0776795 -0.0017313), wk = 0.0047619 k( 7) = ( 0.3928571 -0.0743021 -0.0016560), wk = 0.0047619 k( 8) = ( 0.3750000 -0.0709248 -0.0015807), wk = 0.0047619 k( 9) = ( 0.3571429 -0.0675474 -0.0015055), wk = 0.0047619 k( 10) = ( 0.3392857 -0.0641700 -0.0014302), wk = 0.0047619 k( 11) = ( 0.3214286 -0.0607927 -0.0013549), wk = 0.0047619 k( 12) = ( 0.3035714 -0.0574153 -0.0012796), wk = 0.0047619 k( 13) = ( 0.2857143 -0.0540379 -0.0012044), wk = 0.0047619 k( 14) = ( 0.2678571 -0.0506606 -0.0011291), wk = 0.0047619 k( 15) = ( 0.2500000 -0.0472832 -0.0010538), wk = 0.0047619 k( 16) = ( 0.2321429 -0.0439058 -0.0009785), wk = 0.0047619 k( 17) = ( 0.2142857 -0.0405284 -0.0009033), wk = 0.0047619 k( 18) = ( 0.1964286 -0.0371511 -0.0008280), wk = 0.0047619 k( 19) = ( 0.1785714 -0.0337737 -0.0007527), wk = 0.0047619 k( 20) = ( 0.1607143 -0.0303963 -0.0006775), wk = 0.0047619 k( 21) = ( 0.1428571 -0.0270190 -0.0006022), wk = 0.0047619 k( 22) = ( 0.1250000 -0.0236416 -0.0005269), wk = 0.0047619 k( 23) = ( 0.1071429 -0.0202642 -0.0004516), wk = 0.0047619 k( 24) = ( 0.0892857 -0.0168869 -0.0003764), wk = 0.0047619 k( 25) = ( 0.0714286 -0.0135095 -0.0003011), wk = 0.0047619 k( 26) = ( 0.0535714 -0.0101321 -0.0002258), wk = 0.0047619 k( 27) = ( 0.0357143 -0.0067547 -0.0001505), wk = 0.0047619 k( 28) = ( 0.0178571 -0.0033774 -0.0000753), wk = 0.0047619 k( 29) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 30) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 31) = ( 0.0000000 0.0179435 -0.0036759), wk = 0.0047619 k( 32) = ( 0.0000000 0.0358871 -0.0073519), wk = 0.0047619 k( 33) = ( 0.0000000 0.0538306 -0.0110278), wk = 0.0047619 k( 34) = ( 0.0000000 0.0717741 -0.0147038), wk = 0.0047619 k( 35) = ( 0.0000000 0.0897177 -0.0183797), wk = 0.0047619 k( 36) = ( 0.0000000 0.1076612 -0.0220557), wk = 0.0047619 k( 37) = ( 0.0000000 0.1256048 -0.0257316), wk = 0.0047619 k( 38) = ( 0.0000000 0.1435483 -0.0294076), wk = 0.0047619 k( 39) = ( 0.0000000 0.1614918 -0.0330835), wk = 0.0047619 k( 40) = ( 0.0000000 0.1794354 -0.0367594), wk = 0.0047619 k( 41) = ( 0.0000000 0.1973789 -0.0404354), wk = 0.0047619 k( 42) = ( 0.0000000 0.2153224 -0.0441113), wk = 0.0047619 k( 43) = ( 0.0000000 0.2332660 -0.0477873), wk = 0.0047619 k( 44) = ( 0.0000000 0.2512095 -0.0514632), wk = 0.0047619 k( 45) = ( 0.0000000 0.2691531 -0.0551392), wk = 0.0047619 k( 46) = ( 0.0000000 0.2870966 -0.0588151), wk = 0.0047619 k( 47) = ( 0.0000000 0.3050401 -0.0624911), wk = 0.0047619 k( 48) = ( 0.0000000 0.3229837 -0.0661670), wk = 0.0047619 k( 49) = ( 0.0000000 0.3409272 -0.0698429), wk = 0.0047619 k( 50) = ( 0.0000000 0.3588708 -0.0735189), wk = 0.0047619 k( 51) = ( 0.0000000 0.3768143 -0.0771948), wk = 0.0047619 k( 52) = ( 0.0000000 0.3947578 -0.0808708), wk = 0.0047619 k( 53) = ( 0.0000000 0.4127014 -0.0845467), wk = 0.0047619 k( 54) = ( 0.0000000 0.4306449 -0.0882227), wk = 0.0047619 k( 55) = ( 0.5000000 0.3360785 -0.0903303), wk = 0.0047619 k( 56) = ( 0.4848485 0.3258943 -0.0875930), wk = 0.0047619 k( 57) = ( 0.4696970 0.3157101 -0.0848558), wk = 0.0047619 k( 58) = ( 0.4545455 0.3055259 -0.0821185), wk = 0.0047619 k( 59) = ( 0.4393939 0.2953417 -0.0793812), wk = 0.0047619 k( 60) = ( 0.4242424 0.2851575 -0.0766439), wk = 0.0047619 k( 61) = ( 0.4090909 0.2749733 -0.0739066), wk = 0.0047619 k( 62) = ( 0.3939394 0.2647891 -0.0711693), wk = 0.0047619 k( 63) = ( 0.3787879 0.2546049 -0.0684321), wk = 0.0047619 k( 64) = ( 0.3636364 0.2444207 -0.0656948), wk = 0.0047619 k( 65) = ( 0.3484849 0.2342366 -0.0629575), wk = 0.0047619 k( 66) = ( 0.3333333 0.2240524 -0.0602202), wk = 0.0047619 k( 67) = ( 0.3181818 0.2138682 -0.0574829), wk = 0.0047619 k( 68) = ( 0.3030303 0.2036840 -0.0547456), wk = 0.0047619 k( 69) = ( 0.2878788 0.1934998 -0.0520084), wk = 0.0047619 k( 70) = ( 0.2727273 0.1833156 -0.0492711), wk = 0.0047619 k( 71) = ( 0.2575758 0.1731314 -0.0465338), wk = 0.0047619 k( 72) = ( 0.2424242 0.1629472 -0.0437965), wk = 0.0047619 k( 73) = ( 0.2272727 0.1527630 -0.0410592), wk = 0.0047619 k( 74) = ( 0.2121212 0.1425788 -0.0383220), wk = 0.0047619 k( 75) = ( 0.1969697 0.1323946 -0.0355847), wk = 0.0047619 k( 76) = ( 0.1818182 0.1222104 -0.0328474), wk = 0.0047619 k( 77) = ( 0.1666667 0.1120262 -0.0301101), wk = 0.0047619 k( 78) = ( 0.1515151 0.1018420 -0.0273728), wk = 0.0047619 k( 79) = ( 0.1363636 0.0916578 -0.0246355), wk = 0.0047619 k( 80) = ( 0.1212121 0.0814736 -0.0218983), wk = 0.0047619 k( 81) = ( 0.1060606 0.0712894 -0.0191610), wk = 0.0047619 k( 82) = ( 0.0909091 0.0611052 -0.0164237), wk = 0.0047619 k( 83) = ( 0.0757576 0.0509210 -0.0136864), wk = 0.0047619 k( 84) = ( 0.0606061 0.0407368 -0.0109491), wk = 0.0047619 k( 85) = ( 0.0454546 0.0305526 -0.0082118), wk = 0.0047619 k( 86) = ( 0.0303030 0.0203684 -0.0054746), wk = 0.0047619 k( 87) = ( 0.0151515 0.0101842 -0.0027373), wk = 0.0047619 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 90) = ( 0.0000000 0.0000000 0.0186614), wk = 0.0047619 k( 91) = ( 0.0000000 0.0000000 0.0373228), wk = 0.0047619 k( 92) = ( 0.0000000 0.0000000 0.0559842), wk = 0.0047619 k( 93) = ( 0.0000000 0.0000000 0.0746456), wk = 0.0047619 k( 94) = ( 0.0000000 0.0000000 0.0933069), wk = 0.0047619 k( 95) = ( 0.0000000 0.0000000 0.1119683), wk = 0.0047619 k( 96) = ( 0.0000000 0.0000000 0.1306297), wk = 0.0047619 k( 97) = ( 0.0000000 0.0000000 0.1492911), wk = 0.0047619 k( 98) = ( 0.0000000 0.0000000 0.1679525), wk = 0.0047619 k( 99) = ( 0.0000000 0.0000000 0.1866139), wk = 0.0047619 k( 100) = ( 0.0000000 0.0000000 0.2052753), wk = 0.0047619 k( 101) = ( 0.0000000 0.0000000 0.2239367), wk = 0.0047619 k( 102) = ( 0.0000000 0.0000000 0.2425980), wk = 0.0047619 k( 103) = ( 0.0000000 0.0000000 0.2612594), wk = 0.0047619 k( 104) = ( 0.0000000 0.0000000 0.2799208), wk = 0.0047619 k( 105) = ( 0.0000000 0.0000000 0.2985822), wk = 0.0047619 k( 106) = ( 0.0000000 0.0000000 0.3172436), wk = 0.0047619 k( 107) = ( 0.0000000 0.0000000 0.3359050), wk = 0.0047619 k( 108) = ( 0.0000000 0.0000000 0.3545664), wk = 0.0047619 k( 109) = ( 0.0000000 0.0000000 0.3732278), wk = 0.0047619 k( 110) = ( 0.5000000 -0.0945664 0.3711201), wk = 0.0047619 k( 111) = ( 0.4852941 -0.0917850 0.3602048), wk = 0.0047619 k( 112) = ( 0.4705882 -0.0890036 0.3492895), wk = 0.0047619 k( 113) = ( 0.4558823 -0.0862223 0.3383742), wk = 0.0047619 k( 114) = ( 0.4411765 -0.0834409 0.3274589), wk = 0.0047619 k( 115) = ( 0.4264706 -0.0806595 0.3165436), wk = 0.0047619 k( 116) = ( 0.4117647 -0.0778782 0.3056283), wk = 0.0047619 k( 117) = ( 0.3970588 -0.0750968 0.2947130), wk = 0.0047619 k( 118) = ( 0.3823529 -0.0723155 0.2837977), wk = 0.0047619 k( 119) = ( 0.3676471 -0.0695341 0.2728824), wk = 0.0047619 k( 120) = ( 0.3529412 -0.0667527 0.2619671), wk = 0.0047619 k( 121) = ( 0.3382353 -0.0639714 0.2510518), wk = 0.0047619 k( 122) = ( 0.3235294 -0.0611900 0.2401365), wk = 0.0047619 k( 123) = ( 0.3088235 -0.0584086 0.2292212), wk = 0.0047619 k( 124) = ( 0.2941177 -0.0556273 0.2183060), wk = 0.0047619 k( 125) = ( 0.2794118 -0.0528459 0.2073906), wk = 0.0047619 k( 126) = ( 0.2647059 -0.0500645 0.1964754), wk = 0.0047619 k( 127) = ( 0.2500000 -0.0472832 0.1855601), wk = 0.0047619 k( 128) = ( 0.2352941 -0.0445018 0.1746448), wk = 0.0047619 k( 129) = ( 0.2205882 -0.0417205 0.1637295), wk = 0.0047619 k( 130) = ( 0.2058823 -0.0389391 0.1528142), wk = 0.0047619 k( 131) = ( 0.1911765 -0.0361577 0.1418989), wk = 0.0047619 k( 132) = ( 0.1764706 -0.0333764 0.1309836), wk = 0.0047619 k( 133) = ( 0.1617647 -0.0305950 0.1200683), wk = 0.0047619 k( 134) = ( 0.1470588 -0.0278136 0.1091530), wk = 0.0047619 k( 135) = ( 0.1323529 -0.0250323 0.0982377), wk = 0.0047619 k( 136) = ( 0.1176471 -0.0222509 0.0873224), wk = 0.0047619 k( 137) = ( 0.1029412 -0.0194695 0.0764071), wk = 0.0047619 k( 138) = ( 0.0882353 -0.0166882 0.0654918), wk = 0.0047619 k( 139) = ( 0.0735294 -0.0139068 0.0545765), wk = 0.0047619 k( 140) = ( 0.0588235 -0.0111255 0.0436612), wk = 0.0047619 k( 141) = ( 0.0441177 -0.0083441 0.0327459), wk = 0.0047619 k( 142) = ( 0.0294118 -0.0055627 0.0218306), wk = 0.0047619 k( 143) = ( 0.0147059 -0.0027814 0.0109153), wk = 0.0047619 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 146) = ( 0.0000000 0.0153802 0.0101788), wk = 0.0047619 k( 147) = ( 0.0000000 0.0307604 0.0203575), wk = 0.0047619 k( 148) = ( 0.0000000 0.0461405 0.0305363), wk = 0.0047619 k( 149) = ( 0.0000000 0.0615207 0.0407150), wk = 0.0047619 k( 150) = ( 0.0000000 0.0769009 0.0508938), wk = 0.0047619 k( 151) = ( 0.0000000 0.0922811 0.0610725), wk = 0.0047619 k( 152) = ( 0.0000000 0.1076612 0.0712513), wk = 0.0047619 k( 153) = ( 0.0000000 0.1230414 0.0814300), wk = 0.0047619 k( 154) = ( 0.0000000 0.1384216 0.0916088), wk = 0.0047619 k( 155) = ( 0.0000000 0.1538018 0.1017875), wk = 0.0047619 k( 156) = ( 0.0000000 0.1691819 0.1119663), wk = 0.0047619 k( 157) = ( 0.0000000 0.1845621 0.1221450), wk = 0.0047619 k( 158) = ( 0.0000000 0.1999423 0.1323238), wk = 0.0047619 k( 159) = ( 0.0000000 0.2153224 0.1425025), wk = 0.0047619 k( 160) = ( 0.0000000 0.2307026 0.1526813), wk = 0.0047619 k( 161) = ( 0.0000000 0.2460828 0.1628600), wk = 0.0047619 k( 162) = ( 0.0000000 0.2614630 0.1730388), wk = 0.0047619 k( 163) = ( 0.0000000 0.2768431 0.1832175), wk = 0.0047619 k( 164) = ( 0.0000000 0.2922233 0.1933963), wk = 0.0047619 k( 165) = ( 0.0000000 0.3076035 0.2035751), wk = 0.0047619 k( 166) = ( 0.0000000 0.3229837 0.2137538), wk = 0.0047619 k( 167) = ( 0.0000000 0.3383638 0.2239326), wk = 0.0047619 k( 168) = ( 0.0000000 0.3537440 0.2341113), wk = 0.0047619 k( 169) = ( 0.0000000 0.3691242 0.2442901), wk = 0.0047619 k( 170) = ( 0.0000000 0.3845044 0.2544688), wk = 0.0047619 k( 171) = ( 0.0000000 0.3998845 0.2646476), wk = 0.0047619 k( 172) = ( 0.0000000 0.4152647 0.2748263), wk = 0.0047619 k( 173) = ( 0.0000000 0.4306449 0.2850051), wk = 0.0047619 k( 174) = ( 0.5000000 0.3360785 0.2828974), wk = 0.0047619 k( 175) = ( 0.4861111 0.3267430 0.2750392), wk = 0.0047619 k( 176) = ( 0.4722222 0.3174075 0.2671809), wk = 0.0047619 k( 177) = ( 0.4583333 0.3080720 0.2593226), wk = 0.0047619 k( 178) = ( 0.4444444 0.2987365 0.2514644), wk = 0.0047619 k( 179) = ( 0.4305556 0.2894010 0.2436061), wk = 0.0047619 k( 180) = ( 0.4166667 0.2800654 0.2357479), wk = 0.0047619 k( 181) = ( 0.4027778 0.2707299 0.2278896), wk = 0.0047619 k( 182) = ( 0.3888889 0.2613944 0.2200313), wk = 0.0047619 k( 183) = ( 0.3750000 0.2520589 0.2121731), wk = 0.0047619 k( 184) = ( 0.3611111 0.2427234 0.2043148), wk = 0.0047619 k( 185) = ( 0.3472222 0.2333879 0.1964566), wk = 0.0047619 k( 186) = ( 0.3333333 0.2240524 0.1885983), wk = 0.0047619 k( 187) = ( 0.3194444 0.2147168 0.1807400), wk = 0.0047619 k( 188) = ( 0.3055556 0.2053813 0.1728818), wk = 0.0047619 k( 189) = ( 0.2916667 0.1960458 0.1650235), wk = 0.0047619 k( 190) = ( 0.2777778 0.1867103 0.1571652), wk = 0.0047619 k( 191) = ( 0.2638889 0.1773748 0.1493070), wk = 0.0047619 k( 192) = ( 0.2500000 0.1680393 0.1414487), wk = 0.0047619 k( 193) = ( 0.2361111 0.1587038 0.1335905), wk = 0.0047619 k( 194) = ( 0.2222222 0.1493682 0.1257322), wk = 0.0047619 k( 195) = ( 0.2083333 0.1400327 0.1178739), wk = 0.0047619 k( 196) = ( 0.1944444 0.1306972 0.1100157), wk = 0.0047619 k( 197) = ( 0.1805556 0.1213617 0.1021574), wk = 0.0047619 k( 198) = ( 0.1666667 0.1120262 0.0942991), wk = 0.0047619 k( 199) = ( 0.1527778 0.1026907 0.0864409), wk = 0.0047619 k( 200) = ( 0.1388889 0.0933551 0.0785826), wk = 0.0047619 k( 201) = ( 0.1250000 0.0840196 0.0707244), wk = 0.0047619 k( 202) = ( 0.1111111 0.0746841 0.0628661), wk = 0.0047619 k( 203) = ( 0.0972222 0.0653486 0.0550078), wk = 0.0047619 k( 204) = ( 0.0833333 0.0560131 0.0471496), wk = 0.0047619 k( 205) = ( 0.0694444 0.0466776 0.0392913), wk = 0.0047619 k( 206) = ( 0.0555556 0.0373421 0.0314331), wk = 0.0047619 k( 207) = ( 0.0416667 0.0280065 0.0235748), wk = 0.0047619 k( 208) = ( 0.0277778 0.0186710 0.0157165), wk = 0.0047619 k( 209) = ( 0.0138889 0.0093355 0.0078583), wk = 0.0047619 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 cryst. coord. k( 1) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.4821429 -0.0000000 0.0000000), wk = 0.0047619 k( 3) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0047619 k( 4) = ( 0.4464286 -0.0000000 0.0000000), wk = 0.0047619 k( 5) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0047619 k( 6) = ( 0.4107143 -0.0000000 -0.0000000), wk = 0.0047619 k( 7) = ( 0.3928571 -0.0000000 0.0000000), wk = 0.0047619 k( 8) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0047619 k( 9) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0047619 k( 10) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0047619 k( 11) = ( 0.3214286 -0.0000000 0.0000000), wk = 0.0047619 k( 12) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0047619 k( 13) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0047619 k( 14) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0047619 k( 15) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0047619 k( 16) = ( 0.2321429 -0.0000000 0.0000000), wk = 0.0047619 k( 17) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0047619 k( 18) = ( 0.1964286 -0.0000000 0.0000000), wk = 0.0047619 k( 19) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0047619 k( 20) = ( 0.1607143 -0.0000000 -0.0000000), wk = 0.0047619 k( 21) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0047619 k( 22) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0047619 k( 23) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0047619 k( 24) = ( 0.0892857 -0.0000000 -0.0000000), wk = 0.0047619 k( 25) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0047619 k( 26) = ( 0.0535714 -0.0000000 0.0000000), wk = 0.0047619 k( 27) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0047619 k( 28) = ( 0.0178571 -0.0000000 0.0000000), wk = 0.0047619 k( 29) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 30) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 31) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0047619 k( 32) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0047619 k( 33) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0047619 k( 34) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0047619 k( 35) = ( 0.0000000 0.1041667 -0.0000000), wk = 0.0047619 k( 36) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0047619 k( 37) = ( 0.0000000 0.1458333 -0.0000000), wk = 0.0047619 k( 38) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0047619 k( 39) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0047619 k( 40) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0047619 k( 41) = ( 0.0000000 0.2291667 -0.0000000), wk = 0.0047619 k( 42) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0047619 k( 43) = ( 0.0000000 0.2708333 -0.0000000), wk = 0.0047619 k( 44) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0047619 k( 45) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0047619 k( 46) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0047619 k( 47) = ( 0.0000000 0.3541667 -0.0000000), wk = 0.0047619 k( 48) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0047619 k( 49) = ( 0.0000000 0.3958333 -0.0000000), wk = 0.0047619 k( 50) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0047619 k( 51) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0047619 k( 52) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0047619 k( 53) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0047619 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047619 k( 55) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0047619 k( 56) = ( 0.4848485 0.4848485 -0.0000000), wk = 0.0047619 k( 57) = ( 0.4696970 0.4696970 0.0000000), wk = 0.0047619 k( 58) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0047619 k( 59) = ( 0.4393939 0.4393939 -0.0000000), wk = 0.0047619 k( 60) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0047619 k( 61) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0047619 k( 62) = ( 0.3939394 0.3939394 -0.0000000), wk = 0.0047619 k( 63) = ( 0.3787879 0.3787879 -0.0000000), wk = 0.0047619 k( 64) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0047619 k( 65) = ( 0.3484849 0.3484849 -0.0000000), wk = 0.0047619 k( 66) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0047619 k( 67) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0047619 k( 68) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0047619 k( 69) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0047619 k( 70) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0047619 k( 71) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0047619 k( 72) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0047619 k( 73) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0047619 k( 74) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0047619 k( 75) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0047619 k( 76) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0047619 k( 77) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0047619 k( 78) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0047619 k( 79) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0047619 k( 80) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0047619 k( 81) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0047619 k( 82) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0047619 k( 83) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0047619 k( 84) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0047619 k( 85) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0047619 k( 86) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0047619 k( 87) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0047619 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 90) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0047619 k( 91) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0047619 k( 92) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0047619 k( 93) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0047619 k( 94) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0047619 k( 95) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0047619 k( 96) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0047619 k( 97) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0047619 k( 98) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0047619 k( 99) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0047619 k( 100) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0047619 k( 101) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0047619 k( 102) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0047619 k( 103) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0047619 k( 104) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0047619 k( 105) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0047619 k( 106) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0047619 k( 107) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0047619 k( 108) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0047619 k( 109) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 110) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 111) = ( 0.4852941 -0.0000000 0.4852941), wk = 0.0047619 k( 112) = ( 0.4705882 0.0000000 0.4705882), wk = 0.0047619 k( 113) = ( 0.4558823 -0.0000000 0.4558824), wk = 0.0047619 k( 114) = ( 0.4411765 -0.0000000 0.4411765), wk = 0.0047619 k( 115) = ( 0.4264706 0.0000000 0.4264706), wk = 0.0047619 k( 116) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0047619 k( 117) = ( 0.3970588 -0.0000000 0.3970588), wk = 0.0047619 k( 118) = ( 0.3823529 0.0000000 0.3823529), wk = 0.0047619 k( 119) = ( 0.3676471 -0.0000000 0.3676471), wk = 0.0047619 k( 120) = ( 0.3529412 0.0000000 0.3529412), wk = 0.0047619 k( 121) = ( 0.3382353 0.0000000 0.3382353), wk = 0.0047619 k( 122) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0047619 k( 123) = ( 0.3088235 -0.0000000 0.3088235), wk = 0.0047619 k( 124) = ( 0.2941177 0.0000000 0.2941177), wk = 0.0047619 k( 125) = ( 0.2794118 0.0000000 0.2794118), wk = 0.0047619 k( 126) = ( 0.2647059 -0.0000000 0.2647059), wk = 0.0047619 k( 127) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0047619 k( 128) = ( 0.2352941 0.0000000 0.2352941), wk = 0.0047619 k( 129) = ( 0.2205882 -0.0000000 0.2205882), wk = 0.0047619 k( 130) = ( 0.2058823 -0.0000000 0.2058824), wk = 0.0047619 k( 131) = ( 0.1911765 0.0000000 0.1911765), wk = 0.0047619 k( 132) = ( 0.1764706 0.0000000 0.1764706), wk = 0.0047619 k( 133) = ( 0.1617647 -0.0000000 0.1617647), wk = 0.0047619 k( 134) = ( 0.1470588 0.0000000 0.1470588), wk = 0.0047619 k( 135) = ( 0.1323529 -0.0000000 0.1323529), wk = 0.0047619 k( 136) = ( 0.1176471 0.0000000 0.1176471), wk = 0.0047619 k( 137) = ( 0.1029412 -0.0000000 0.1029412), wk = 0.0047619 k( 138) = ( 0.0882353 -0.0000000 0.0882353), wk = 0.0047619 k( 139) = ( 0.0735294 0.0000000 0.0735294), wk = 0.0047619 k( 140) = ( 0.0588235 0.0000000 0.0588235), wk = 0.0047619 k( 141) = ( 0.0441177 0.0000000 0.0441177), wk = 0.0047619 k( 142) = ( 0.0294118 -0.0000000 0.0294118), wk = 0.0047619 k( 143) = ( 0.0147059 -0.0000000 0.0147059), wk = 0.0047619 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 146) = ( 0.0000000 0.0178571 0.0178571), wk = 0.0047619 k( 147) = ( 0.0000000 0.0357143 0.0357143), wk = 0.0047619 k( 148) = ( 0.0000000 0.0535714 0.0535714), wk = 0.0047619 k( 149) = ( 0.0000000 0.0714286 0.0714286), wk = 0.0047619 k( 150) = ( 0.0000000 0.0892857 0.0892857), wk = 0.0047619 k( 151) = ( 0.0000000 0.1071429 0.1071429), wk = 0.0047619 k( 152) = ( 0.0000000 0.1250000 0.1250000), wk = 0.0047619 k( 153) = ( 0.0000000 0.1428571 0.1428571), wk = 0.0047619 k( 154) = ( 0.0000000 0.1607143 0.1607143), wk = 0.0047619 k( 155) = ( 0.0000000 0.1785714 0.1785714), wk = 0.0047619 k( 156) = ( 0.0000000 0.1964286 0.1964286), wk = 0.0047619 k( 157) = ( 0.0000000 0.2142857 0.2142857), wk = 0.0047619 k( 158) = ( 0.0000000 0.2321429 0.2321429), wk = 0.0047619 k( 159) = ( 0.0000000 0.2500000 0.2500000), wk = 0.0047619 k( 160) = ( 0.0000000 0.2678571 0.2678571), wk = 0.0047619 k( 161) = ( 0.0000000 0.2857143 0.2857143), wk = 0.0047619 k( 162) = ( 0.0000000 0.3035714 0.3035714), wk = 0.0047619 k( 163) = ( 0.0000000 0.3214286 0.3214286), wk = 0.0047619 k( 164) = ( 0.0000000 0.3392857 0.3392857), wk = 0.0047619 k( 165) = ( 0.0000000 0.3571429 0.3571429), wk = 0.0047619 k( 166) = ( 0.0000000 0.3750000 0.3750000), wk = 0.0047619 k( 167) = ( 0.0000000 0.3928571 0.3928571), wk = 0.0047619 k( 168) = ( 0.0000000 0.4107143 0.4107143), wk = 0.0047619 k( 169) = ( 0.0000000 0.4285714 0.4285714), wk = 0.0047619 k( 170) = ( 0.0000000 0.4464286 0.4464286), wk = 0.0047619 k( 171) = ( 0.0000000 0.4642857 0.4642857), wk = 0.0047619 k( 172) = ( 0.0000000 0.4821429 0.4821429), wk = 0.0047619 k( 173) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0047619 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 175) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0047619 k( 176) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0047619 k( 177) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0047619 k( 178) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0047619 k( 179) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0047619 k( 180) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0047619 k( 181) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0047619 k( 182) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0047619 k( 183) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0047619 k( 184) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0047619 k( 185) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0047619 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0047619 k( 187) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0047619 k( 188) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0047619 k( 189) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0047619 k( 190) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0047619 k( 191) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0047619 k( 192) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047619 k( 193) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0047619 k( 194) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0047619 k( 195) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0047619 k( 196) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0047619 k( 197) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0047619 k( 198) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0047619 k( 199) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0047619 k( 200) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0047619 k( 201) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0047619 k( 202) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0047619 k( 203) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0047619 k( 204) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0047619 k( 205) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0047619 k( 206) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0047619 k( 207) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0047619 k( 208) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0047619 k( 209) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0047619 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 Dense grid: 316331 G-vectors FFT dimensions: ( 75, 90, 100) Smooth grid: 78873 G-vectors FFT dimensions: ( 45, 60, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.41 Mb ( 282, 96) NL pseudopotentials 0.88 Mb ( 141, 408) Each V/rho on FFT grid 0.21 Mb ( 13500) Each G-vector array 0.03 Mb ( 4392) G-vector shells 0.03 Mb ( 4344) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.65 Mb ( 282, 384) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 1.20 Mb ( 408, 2, 96) The potential is recalculated from file : ./PAuS4.save/charge-density.dat Starting wfc are 116 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.8 secs Computing kpt #: 2 total cpu time spent up to now is 8.1 secs Computing kpt #: 3 total cpu time spent up to now is 10.4 secs Computing kpt #: 4 total cpu time spent up to now is 12.7 secs Computing kpt #: 5 total cpu time spent up to now is 15.0 secs Computing kpt #: 6 total cpu time spent up to now is 17.3 secs Computing kpt #: 7 total cpu time spent up to now is 19.6 secs Computing kpt #: 8 total cpu time spent up to now is 22.0 secs Computing kpt #: 9 total cpu time spent up to now is 24.3 secs Computing kpt #: 10 total cpu time spent up to now is 26.7 secs Computing kpt #: 11 total cpu time spent up to now is 29.1 secs Computing kpt #: 12 total cpu time spent up to now is 31.4 secs Computing kpt #: 13 total cpu time spent up to now is 33.8 secs Computing kpt #: 14 total cpu time spent up to now is 36.1 secs Computing kpt #: 15 total cpu time spent up to now is 38.5 secs Computing kpt #: 16 total cpu time spent up to now is 40.8 secs Computing kpt #: 17 total cpu time spent up to now is 43.1 secs Computing kpt #: 18 total cpu time spent up to now is 45.4 secs Computing kpt #: 19 total cpu time spent up to now is 47.7 secs Computing kpt #: 20 total cpu time spent up to now is 49.9 secs Computing kpt #: 21 total cpu time spent up to now is 52.1 secs Computing kpt #: 22 total cpu time spent up to now is 54.3 secs Computing kpt #: 23 total cpu time spent up to now is 56.6 secs Computing kpt #: 24 total cpu time spent up to now is 58.8 secs Computing kpt #: 25 total cpu time spent up to now is 60.9 secs Computing kpt #: 26 total cpu time spent up to now is 63.1 secs Computing kpt #: 27 total cpu time spent up to now is 65.3 secs Computing kpt #: 28 total cpu time spent up to now is 67.3 secs Computing kpt #: 29 total cpu time spent up to now is 69.2 secs Computing kpt #: 30 total cpu time spent up to now is 71.4 secs Computing kpt #: 31 total cpu time spent up to now is 73.3 secs Computing kpt #: 32 total cpu time spent up to now is 75.5 secs Computing kpt #: 33 total cpu time spent up to now is 77.7 secs Computing kpt #: 34 total cpu time spent up to now is 79.9 secs Computing kpt #: 35 total cpu time spent up to now is 82.1 secs Computing kpt #: 36 total cpu time spent up to now is 84.3 secs Computing kpt #: 37 total cpu time spent up to now is 86.5 secs Computing kpt #: 38 total cpu time spent up to now is 88.7 secs Computing kpt #: 39 total cpu time spent up to now is 91.0 secs Computing kpt #: 40 total cpu time spent up to now is 93.2 secs Computing kpt #: 41 total cpu time spent up to now is 95.4 secs Computing kpt #: 42 total cpu time spent up to now is 97.6 secs Computing kpt #: 43 total cpu time spent up to now is 99.9 secs Computing kpt #: 44 total cpu time spent up to now is 102.2 secs Computing kpt #: 45 total cpu time spent up to now is 104.4 secs Computing kpt #: 46 total cpu time spent up to now is 106.7 secs Computing kpt #: 47 total cpu time spent up to now is 109.0 secs Computing kpt #: 48 total cpu time spent up to now is 111.6 secs Computing kpt #: 49 total cpu time spent up to now is 114.0 secs Computing kpt #: 50 total cpu time spent up to now is 116.3 secs Computing kpt #: 51 total cpu time spent up to now is 118.7 secs Computing kpt #: 52 total cpu time spent up to now is 121.1 secs Computing kpt #: 53 total cpu time spent up to now is 123.5 secs Computing kpt #: 54 total cpu time spent up to now is 125.9 secs Computing kpt #: 55 total cpu time spent up to now is 128.3 secs Computing kpt #: 56 total cpu time spent up to now is 130.6 secs Computing kpt #: 57 total cpu time spent up to now is 133.0 secs Computing kpt #: 58 total cpu time spent up to now is 135.3 secs Computing kpt #: 59 total cpu time spent up to now is 137.7 secs Computing kpt #: 60 total cpu time spent up to now is 140.1 secs Computing kpt #: 61 total cpu time spent up to now is 142.4 secs Computing kpt #: 62 total cpu time spent up to now is 144.8 secs Computing kpt #: 63 total cpu time spent up to now is 147.1 secs Computing kpt #: 64 total cpu time spent up to now is 149.5 secs Computing kpt #: 65 total cpu time spent up to now is 151.9 secs Computing kpt #: 66 total cpu time spent up to now is 154.2 secs Computing kpt #: 67 total cpu time spent up to now is 156.6 secs Computing kpt #: 68 total cpu time spent up to now is 158.9 secs Computing kpt #: 69 total cpu time spent up to now is 161.3 secs Computing kpt #: 70 total cpu time spent up to now is 163.6 secs Computing kpt #: 71 total cpu time spent up to now is 165.9 secs Computing kpt #: 72 total cpu time spent up to now is 168.1 secs Computing kpt #: 73 total cpu time spent up to now is 170.4 secs Computing kpt #: 74 total cpu time spent up to now is 172.6 secs Computing kpt #: 75 total cpu time spent up to now is 174.9 secs Computing kpt #: 76 total cpu time spent up to now is 177.1 secs Computing kpt #: 77 total cpu time spent up to now is 179.3 secs Computing kpt #: 78 total cpu time spent up to now is 181.4 secs Computing kpt #: 79 total cpu time spent up to now is 183.3 secs Computing kpt #: 80 total cpu time spent up to now is 185.3 secs Computing kpt #: 81 total cpu time spent up to now is 187.3 secs Computing kpt #: 82 total cpu time spent up to now is 189.6 secs Computing kpt #: 83 total cpu time spent up to now is 191.6 secs Computing kpt #: 84 total cpu time spent up to now is 193.5 secs Computing kpt #: 85 total cpu time spent up to now is 195.6 secs Computing kpt #: 86 total cpu time spent up to now is 197.5 secs Computing kpt #: 87 total cpu time spent up to now is 199.5 secs Computing kpt #: 88 total cpu time spent up to now is 201.5 secs Computing kpt #: 89 total cpu time spent up to now is 203.5 secs Computing kpt #: 90 total cpu time spent up to now is 205.7 secs Computing kpt #: 91 total cpu time spent up to now is 207.9 secs Computing kpt #: 92 total cpu time spent up to now is 210.1 secs Computing kpt #: 93 total cpu time spent up to now is 212.3 secs Computing kpt #: 94 total cpu time spent up to now is 214.5 secs Computing kpt #: 95 total cpu time spent up to now is 216.7 secs Computing kpt #: 96 total cpu time spent up to now is 218.9 secs Computing kpt #: 97 total cpu time spent up to now is 221.2 secs Computing kpt #: 98 total cpu time spent up to now is 223.4 secs Computing kpt #: 99 total cpu time spent up to now is 225.7 secs Computing kpt #: 100 total cpu time spent up to now is 227.9 secs Computing kpt #: 101 total cpu time spent up to now is 230.2 secs Computing kpt #: 102 total cpu time spent up to now is 232.5 secs Computing kpt #: 103 total cpu time spent up to now is 234.8 secs Computing kpt #: 104 total cpu time spent up to now is 237.0 secs Computing kpt #: 105 total cpu time spent up to now is 239.3 secs Computing kpt #: 106 total cpu time spent up to now is 241.5 secs Computing kpt #: 107 total cpu time spent up to now is 243.8 secs Computing kpt #: 108 total cpu time spent up to now is 246.0 secs Computing kpt #: 109 total cpu time spent up to now is 248.2 secs Computing kpt #: 110 total cpu time spent up to now is 250.6 secs Computing kpt #: 111 total cpu time spent up to now is 252.8 secs Computing kpt #: 112 total cpu time spent up to now is 255.1 secs Computing kpt #: 113 total cpu time spent up to now is 257.4 secs Computing kpt #: 114 total cpu time spent up to now is 260.0 secs Computing kpt #: 115 total cpu time spent up to now is 262.3 secs Computing kpt #: 116 total cpu time spent up to now is 264.6 secs Computing kpt #: 117 total cpu time spent up to now is 266.8 secs Computing kpt #: 118 total cpu time spent up to now is 269.1 secs Computing kpt #: 119 total cpu time spent up to now is 271.4 secs Computing kpt #: 120 total cpu time spent up to now is 273.7 secs Computing kpt #: 121 total cpu time spent up to now is 276.0 secs Computing kpt #: 122 total cpu time spent up to now is 278.3 secs Computing kpt #: 123 total cpu time spent up to now is 280.6 secs Computing kpt #: 124 total cpu time spent up to now is 283.0 secs Computing kpt #: 125 total cpu time spent up to now is 285.3 secs Computing kpt #: 126 total cpu time spent up to now is 287.7 secs Computing kpt #: 127 total cpu time spent up to now is 290.0 secs Computing kpt #: 128 total cpu time spent up to now is 292.4 secs Computing kpt #: 129 total cpu time spent up to now is 294.7 secs Computing kpt #: 130 total cpu time spent up to now is 297.1 secs Computing kpt #: 131 total cpu time spent up to now is 299.4 secs Computing kpt #: 132 total cpu time spent up to now is 301.7 secs Computing kpt #: 133 total cpu time spent up to now is 303.9 secs Computing kpt #: 134 total cpu time spent up to now is 306.2 secs Computing kpt #: 135 total cpu time spent up to now is 308.4 secs Computing kpt #: 136 total cpu time spent up to now is 310.6 secs Computing kpt #: 137 total cpu time spent up to now is 312.8 secs Computing kpt #: 138 total cpu time spent up to now is 315.0 secs Computing kpt #: 139 total cpu time spent up to now is 317.2 secs Computing kpt #: 140 total cpu time spent up to now is 319.4 secs Computing kpt #: 141 total cpu time spent up to now is 321.4 secs Computing kpt #: 142 total cpu time spent up to now is 323.3 secs Computing kpt #: 143 total cpu time spent up to now is 325.3 secs Computing kpt #: 144 total cpu time spent up to now is 327.5 secs Computing kpt #: 145 total cpu time spent up to now is 329.5 secs Computing kpt #: 146 total cpu time spent up to now is 331.7 secs Computing kpt #: 147 total cpu time spent up to now is 333.9 secs Computing kpt #: 148 total cpu time spent up to now is 336.1 secs Computing kpt #: 149 total cpu time spent up to now is 338.3 secs Computing kpt #: 150 total cpu time spent up to now is 340.5 secs Computing kpt #: 151 total cpu time spent up to now is 342.8 secs Computing kpt #: 152 total cpu time spent up to now is 345.0 secs Computing kpt #: 153 total cpu time spent up to now is 347.2 secs Computing kpt #: 154 total cpu time spent up to now is 349.5 secs Computing kpt #: 155 total cpu time spent up to now is 351.8 secs Computing kpt #: 156 total cpu time spent up to now is 354.0 secs Computing kpt #: 157 total cpu time spent up to now is 356.3 secs Computing kpt #: 158 total cpu time spent up to now is 358.6 secs Computing kpt #: 159 total cpu time spent up to now is 360.9 secs Computing kpt #: 160 total cpu time spent up to now is 363.2 secs Computing kpt #: 161 total cpu time spent up to now is 365.4 secs Computing kpt #: 162 total cpu time spent up to now is 367.8 secs Computing kpt #: 163 total cpu time spent up to now is 370.1 secs Computing kpt #: 164 total cpu time spent up to now is 372.4 secs Computing kpt #: 165 total cpu time spent up to now is 374.7 secs Computing kpt #: 166 total cpu time spent up to now is 377.0 secs Computing kpt #: 167 total cpu time spent up to now is 379.3 secs Computing kpt #: 168 total cpu time spent up to now is 381.7 secs Computing kpt #: 169 total cpu time spent up to now is 384.1 secs Computing kpt #: 170 total cpu time spent up to now is 386.6 secs Computing kpt #: 171 total cpu time spent up to now is 389.0 secs Computing kpt #: 172 total cpu time spent up to now is 391.3 secs Computing kpt #: 173 total cpu time spent up to now is 393.7 secs Computing kpt #: 174 total cpu time spent up to now is 396.0 secs Computing kpt #: 175 total cpu time spent up to now is 398.2 secs Computing kpt #: 176 total cpu time spent up to now is 400.5 secs Computing kpt #: 177 total cpu time spent up to now is 402.8 secs Computing kpt #: 178 total cpu time spent up to now is 405.1 secs Computing kpt #: 179 total cpu time spent up to now is 407.4 secs Computing kpt #: 180 total cpu time spent up to now is 409.8 secs Computing kpt #: 181 total cpu time spent up to now is 412.3 secs Computing kpt #: 182 total cpu time spent up to now is 414.6 secs Computing kpt #: 183 total cpu time spent up to now is 416.9 secs Computing kpt #: 184 total cpu time spent up to now is 419.1 secs Computing kpt #: 185 total cpu time spent up to now is 421.4 secs Computing kpt #: 186 total cpu time spent up to now is 423.7 secs Computing kpt #: 187 total cpu time spent up to now is 425.9 secs Computing kpt #: 188 total cpu time spent up to now is 428.2 secs Computing kpt #: 189 total cpu time spent up to now is 430.5 secs Computing kpt #: 190 total cpu time spent up to now is 432.7 secs Computing kpt #: 191 total cpu time spent up to now is 435.0 secs Computing kpt #: 192 total cpu time spent up to now is 437.3 secs Computing kpt #: 193 total cpu time spent up to now is 439.5 secs Computing kpt #: 194 total cpu time spent up to now is 441.8 secs Computing kpt #: 195 total cpu time spent up to now is 444.0 secs Computing kpt #: 196 total cpu time spent up to now is 446.3 secs Computing kpt #: 197 total cpu time spent up to now is 448.6 secs Computing kpt #: 198 total cpu time spent up to now is 450.8 secs Computing kpt #: 199 total cpu time spent up to now is 453.1 secs Computing kpt #: 200 total cpu time spent up to now is 455.3 secs Computing kpt #: 201 total cpu time spent up to now is 457.5 secs Computing kpt #: 202 total cpu time spent up to now is 459.7 secs Computing kpt #: 203 total cpu time spent up to now is 461.9 secs Computing kpt #: 204 total cpu time spent up to now is 464.2 secs Computing kpt #: 205 total cpu time spent up to now is 466.4 secs Computing kpt #: 206 total cpu time spent up to now is 468.6 secs Computing kpt #: 207 total cpu time spent up to now is 470.6 secs Computing kpt #: 208 total cpu time spent up to now is 472.5 secs Computing kpt #: 209 total cpu time spent up to now is 474.7 secs Computing kpt #: 210 total cpu time spent up to now is 476.7 secs ethr = 1.25E-08, avg # of iterations = 23.0 total cpu time spent up to now is 476.7 secs End of band structure calculation k = 0.5000-0.0946-0.0021 ( 9880 PWs) bands (ev): -12.0498 -12.0498 -12.0215 -12.0215 -9.7067 -9.7067 -9.6434 -9.6434 -9.1642 -9.1642 -9.0844 -9.0844 -8.9686 -8.9686 -8.8675 -8.8675 -4.9106 -4.9106 -4.9084 -4.9084 -3.0569 -3.0569 -3.0258 -3.0258 -2.2891 -2.2891 -2.2590 -2.2590 -1.9794 -1.9794 -1.9655 -1.9655 -1.6091 -1.6091 -1.5424 -1.5424 -0.9904 -0.9904 -0.9050 -0.9050 -0.7099 -0.7099 -0.6728 -0.6728 -0.2858 -0.2858 -0.1937 -0.1937 -0.0296 -0.0296 0.0028 0.0028 0.6811 0.6811 0.7619 0.7619 1.0750 1.0750 1.1171 1.1171 1.5144 1.5144 1.5852 1.5852 1.9168 1.9168 1.9811 1.9811 2.4827 2.4827 2.5014 2.5014 2.5613 2.5613 2.8633 2.8633 3.3052 3.3052 3.3283 3.3283 5.0077 5.0077 5.1618 5.1618 6.3886 6.3886 6.4403 6.4403 7.2946 7.2946 7.3237 7.3237 7.6149 7.6149 7.7540 7.7540 k = 0.4821-0.0912-0.0020 ( 9879 PWs) bands (ev): -12.0530 -12.0530 -12.0185 -12.0185 -9.7106 -9.7106 -9.6396 -9.6396 -9.1640 -9.1640 -9.0844 -9.0844 -8.9682 -8.9682 -8.8670 -8.8670 -4.9461 -4.9461 -4.8728 -4.8728 -3.0572 -3.0572 -3.0260 -3.0260 -2.2943 -2.2943 -2.2565 -2.2565 -1.9814 -1.9814 -1.9610 -1.9610 -1.6104 -1.6104 -1.5420 -1.5420 -0.9909 -0.9909 -0.9065 -0.9065 -0.7134 -0.7134 -0.6696 -0.6696 -0.2858 -0.2858 -0.1929 -0.1929 -0.0306 -0.0306 0.0048 0.0048 0.6810 0.6810 0.7619 0.7619 1.0758 1.0758 1.1187 1.1187 1.5146 1.5146 1.5844 1.5844 1.9174 1.9174 1.9826 1.9826 2.4807 2.4807 2.5009 2.5009 2.5633 2.5633 2.8630 2.8630 3.3051 3.3051 3.3279 3.3279 5.0060 5.0060 5.1631 5.1631 6.3872 6.3872 6.4438 6.4438 7.2932 7.2932 7.3224 7.3224 7.6094 7.6094 7.7593 7.7593 k = 0.4643-0.0878-0.0020 ( 9881 PWs) bands (ev): -12.0602 -12.0602 -12.0118 -12.0118 -9.7204 -9.7204 -9.6302 -9.6302 -9.1635 -9.1635 -9.0843 -9.0843 -8.9672 -8.9672 -8.8656 -8.8656 -4.9825 -4.9825 -4.8363 -4.8363 -3.0582 -3.0582 -3.0266 -3.0266 -2.3064 -2.3064 -2.2522 -2.2522 -1.9842 -1.9842 -1.9512 -1.9512 -1.6141 -1.6141 -1.5408 -1.5408 -0.9926 -0.9926 -0.9109 -0.9109 -0.7213 -0.7213 -0.6625 -0.6625 -0.2857 -0.2857 -0.1907 -0.1907 -0.0329 -0.0329 0.0103 0.0103 0.6809 0.6809 0.7620 0.7620 1.0778 1.0778 1.1235 1.1235 1.5151 1.5151 1.5822 1.5822 1.9191 1.9191 1.9872 1.9872 2.4743 2.4743 2.5007 2.5007 2.5684 2.5684 2.8619 2.8619 3.3047 3.3047 3.3268 3.3268 5.0012 5.0012 5.1667 5.1667 6.3841 6.3841 6.4533 6.4533 7.2891 7.2891 7.3183 7.3183 7.5954 7.5954 7.7726 7.7726 k = 0.4464-0.0844-0.0019 ( 9880 PWs) bands (ev): -12.0690 -12.0690 -12.0038 -12.0038 -9.7331 -9.7331 -9.6181 -9.6181 -9.1626 -9.1626 -9.0843 -9.0843 -8.9653 -8.9653 -8.8633 -8.8633 -5.0186 -5.0186 -4.8000 -4.8000 -3.0598 -3.0598 -3.0275 -3.0275 -2.3219 -2.3219 -2.2492 -2.2492 -1.9856 -1.9856 -1.9384 -1.9384 -1.6199 -1.6199 -1.5392 -1.5392 -0.9956 -0.9956 -0.9180 -0.9180 -0.7307 -0.7307 -0.6545 -0.6545 -0.2854 -0.2854 -0.1872 -0.1872 -0.0354 -0.0354 0.0180 0.0180 0.6807 0.6807 0.7622 0.7622 1.0810 1.0810 1.1316 1.1316 1.5160 1.5160 1.5786 1.5786 1.9215 1.9215 1.9947 1.9947 2.4641 2.4641 2.5020 2.5020 2.5748 2.5748 2.8601 2.8601 3.3037 3.3037 3.3255 3.3255 4.9940 4.9940 5.1719 5.1719 6.3808 6.3808 6.4669 6.4669 7.2823 7.2823 7.3111 7.3111 7.5772 7.5772 7.7897 7.7897 k = 0.4286-0.0811-0.0018 ( 9879 PWs) bands (ev): -12.0784 -12.0784 -11.9955 -11.9955 -9.7472 -9.7472 -9.6049 -9.6049 -9.1613 -9.1613 -9.0845 -9.0845 -8.9626 -8.9626 -8.8603 -8.8603 -5.0543 -5.0543 -4.7640 -4.7640 -3.0620 -3.0620 -3.0289 -3.0289 -2.3394 -2.3394 -2.2484 -2.2484 -1.9857 -1.9857 -1.9233 -1.9233 -1.6274 -1.6274 -1.5374 -1.5374 -1.0000 -1.0000 -0.9273 -0.9273 -0.7403 -0.7403 -0.6471 -0.6471 -0.2848 -0.2848 -0.1828 -0.1828 -0.0372 -0.0372 0.0274 0.0274 0.6803 0.6803 0.7626 0.7626 1.0847 1.0847 1.1430 1.1430 1.5177 1.5177 1.5742 1.5742 1.9243 1.9243 2.0050 2.0050 2.4516 2.4516 2.5047 2.5047 2.5812 2.5812 2.8575 2.8575 3.3015 3.3015 3.3243 3.3243 4.9854 4.9854 5.1780 5.1780 6.3784 6.3784 6.4832 6.4832 7.2725 7.2725 7.3008 7.3008 7.5581 7.5581 7.8069 7.8069 k = 0.4107-0.0777-0.0017 ( 9882 PWs) bands (ev): -12.0882 -12.0882 -11.9872 -11.9872 -9.7619 -9.7619 -9.5913 -9.5913 -9.1596 -9.1596 -9.0850 -9.0850 -8.9587 -8.9587 -8.8566 -8.8566 -5.0896 -5.0896 -4.7286 -4.7286 -3.0647 -3.0647 -3.0307 -3.0307 -2.3581 -2.3581 -2.2498 -2.2498 -1.9845 -1.9845 -1.9067 -1.9067 -1.6361 -1.6361 -1.5357 -1.5357 -1.0061 -1.0061 -0.9382 -0.9382 -0.7494 -0.7494 -0.6412 -0.6412 -0.2838 -0.2838 -0.1775 -0.1775 -0.0378 -0.0378 0.0382 0.0382 0.6798 0.6798 0.7630 0.7630 1.0887 1.0887 1.1575 1.1575 1.5202 1.5202 1.5693 1.5693 1.9271 1.9271 2.0177 2.0177 2.4383 2.4383 2.5084 2.5084 2.5868 2.5868 2.8543 2.8543 3.2978 3.2978 3.3236 3.3236 4.9761 4.9761 5.1842 5.1842 6.3774 6.3774 6.5016 6.5016 7.2589 7.2589 7.2885 7.2885 7.5397 7.5397 7.8197 7.8197 k = 0.3929-0.0743-0.0017 ( 9884 PWs) bands (ev): -12.0980 -12.0980 -11.9791 -11.9791 -9.7768 -9.7768 -9.5776 -9.5776 -9.1575 -9.1575 -9.0860 -9.0860 -8.9537 -8.9537 -8.8524 -8.8524 -5.1242 -5.1242 -4.6937 -4.6937 -3.0679 -3.0679 -3.0330 -3.0330 -2.3774 -2.3774 -2.2532 -2.2532 -1.9824 -1.9824 -1.8890 -1.8890 -1.6457 -1.6457 -1.5341 -1.5341 -1.0141 -1.0141 -0.9501 -0.9501 -0.7577 -0.7577 -0.6371 -0.6371 -0.2826 -0.2826 -0.1713 -0.1713 -0.0371 -0.0371 0.0502 0.0502 0.6791 0.6791 0.7636 0.7636 1.0924 1.0924 1.1751 1.1751 1.5235 1.5235 1.5648 1.5648 1.9298 1.9298 2.0321 2.0321 2.4249 2.4249 2.5128 2.5128 2.5915 2.5915 2.8503 2.8503 3.2925 3.2925 3.3235 3.3235 4.9669 4.9669 5.1900 5.1900 6.3776 6.3776 6.5213 6.5213 7.2401 7.2401 7.2758 7.2758 7.5228 7.5228 7.8237 7.8237 k = 0.3750-0.0709-0.0016 ( 9882 PWs) bands (ev): -12.1078 -12.1078 -11.9712 -11.9712 -9.7917 -9.7917 -9.5642 -9.5642 -9.1549 -9.1549 -9.0875 -9.0875 -8.9474 -8.9474 -8.8477 -8.8477 -5.1580 -5.1580 -4.6596 -4.6596 -3.0715 -3.0715 -3.0357 -3.0357 -2.3970 -2.3970 -2.2583 -2.2583 -1.9794 -1.9794 -1.8708 -1.8708 -1.6557 -1.6557 -1.5329 -1.5329 -1.0243 -1.0243 -0.9624 -0.9624 -0.7650 -0.7650 -0.6352 -0.6352 -0.2813 -0.2813 -0.1643 -0.1643 -0.0348 -0.0348 0.0634 0.0634 0.6781 0.6781 0.7643 0.7643 1.0953 1.0953 1.1951 1.1951 1.5272 1.5272 1.5619 1.5619 1.9322 1.9322 2.0476 2.0476 2.4125 2.4125 2.5176 2.5176 2.5949 2.5949 2.8457 2.8457 3.2859 3.2859 3.3239 3.3239 4.9582 4.9582 5.1950 5.1950 6.3793 6.3793 6.5419 6.5419 7.2160 7.2160 7.2637 7.2637 7.5069 7.5069 7.8216 7.8216 k = 0.3571-0.0675-0.0015 ( 9891 PWs) bands (ev): -12.1176 -12.1176 -11.9636 -11.9636 -9.8065 -9.8065 -9.5510 -9.5510 -9.1519 -9.1519 -9.0896 -9.0896 -8.9400 -8.9400 -8.8427 -8.8427 -5.1911 -5.1911 -4.6264 -4.6264 -3.0755 -3.0755 -3.0389 -3.0389 -2.4166 -2.4166 -2.2647 -2.2647 -1.9760 -1.9760 -1.8529 -1.8529 -1.6657 -1.6657 -1.5317 -1.5317 -1.0368 -1.0368 -0.9747 -0.9747 -0.7712 -0.7712 -0.6355 -0.6355 -0.2805 -0.2805 -0.1562 -0.1562 -0.0309 -0.0309 0.0778 0.0778 0.6769 0.6769 0.7652 0.7652 1.0970 1.0970 1.2172 1.2172 1.5296 1.5296 1.5629 1.5629 1.9342 1.9342 2.0633 2.0633 2.4016 2.4016 2.5225 2.5225 2.5972 2.5972 2.8405 2.8405 3.2783 3.2783 3.3243 3.3243 4.9503 4.9503 5.1990 5.1990 6.3820 6.3820 6.5628 6.5628 7.1878 7.1878 7.2520 7.2520 7.4913 7.4913 7.8183 7.8183 k = 0.3393-0.0642-0.0014 ( 9895 PWs) bands (ev): -12.1273 -12.1273 -11.9563 -11.9563 -9.8210 -9.8210 -9.5381 -9.5381 -9.1484 -9.1484 -9.0921 -9.0921 -8.9315 -8.9315 -8.8375 -8.8375 -5.2232 -5.2232 -4.5943 -4.5943 -3.0799 -3.0799 -3.0424 -3.0424 -2.4359 -2.4359 -2.2720 -2.2720 -1.9721 -1.9721 -1.8361 -1.8361 -1.6752 -1.6752 -1.5307 -1.5307 -1.0511 -1.0511 -0.9869 -0.9869 -0.7762 -0.7762 -0.6380 -0.6380 -0.2805 -0.2805 -0.1468 -0.1468 -0.0253 -0.0253 0.0934 0.0934 0.6755 0.6755 0.7662 0.7662 1.0971 1.0971 1.2408 1.2408 1.5294 1.5294 1.5698 1.5698 1.9355 1.9355 2.0784 2.0784 2.3932 2.3932 2.5269 2.5269 2.5986 2.5986 2.8348 2.8348 3.2699 3.2699 3.3246 3.3246 4.9435 4.9435 5.2020 5.2020 6.3857 6.3857 6.5837 6.5837 7.1571 7.1571 7.2403 7.2403 7.4750 7.4750 7.8159 7.8159 k = 0.3214-0.0608-0.0014 ( 9891 PWs) bands (ev): -12.1367 -12.1367 -11.9494 -11.9494 -9.8352 -9.8352 -9.5257 -9.5257 -9.1446 -9.1446 -9.0951 -9.0951 -8.9220 -8.9220 -8.8321 -8.8321 -5.2543 -5.2543 -4.5633 -4.5633 -3.0845 -3.0845 -3.0464 -3.0464 -2.4546 -2.4546 -2.2799 -2.2799 -1.9680 -1.9680 -1.8213 -1.8213 -1.6835 -1.6835 -1.5295 -1.5295 -1.0670 -1.0670 -0.9991 -0.9991 -0.7800 -0.7800 -0.6426 -0.6426 -0.2816 -0.2816 -0.1359 -0.1359 -0.0180 -0.0180 0.1103 0.1103 0.6739 0.6739 0.7674 0.7674 1.0952 1.0952 1.2651 1.2651 1.5273 1.5273 1.5822 1.5822 1.9361 1.9361 2.0922 2.0922 2.3878 2.3878 2.5303 2.5303 2.5996 2.5996 2.8287 2.8287 3.2611 3.2611 3.3245 3.3245 4.9377 4.9377 5.2040 5.2040 6.3900 6.3900 6.6040 6.6040 7.1252 7.1252 7.2284 7.2284 7.4569 7.4569 7.8155 7.8155 k = 0.3036-0.0574-0.0013 ( 9893 PWs) bands (ev): -12.1460 -12.1460 -11.9428 -11.9428 -9.8490 -9.8490 -9.5138 -9.5138 -9.1405 -9.1405 -9.0983 -9.0983 -8.9118 -8.9118 -8.8267 -8.8267 -5.2844 -5.2844 -4.5335 -4.5335 -3.0895 -3.0895 -3.0505 -3.0505 -2.4728 -2.4728 -2.2882 -2.2882 -1.9637 -1.9637 -1.8095 -1.8095 -1.6899 -1.6899 -1.5277 -1.5277 -1.0838 -1.0838 -1.0115 -1.0115 -0.7828 -0.7828 -0.6491 -0.6491 -0.2839 -0.2839 -0.1236 -0.1236 -0.0092 -0.0092 0.1284 0.1284 0.6721 0.6721 0.7688 0.7688 1.0911 1.0911 1.2895 1.2895 1.5252 1.5252 1.5988 1.5988 1.9358 1.9358 2.1041 2.1041 2.3862 2.3862 2.5320 2.5320 2.6007 2.6007 2.8224 2.8224 3.2519 3.2519 3.3239 3.3239 4.9329 4.9329 5.2054 5.2054 6.3947 6.3947 6.6235 6.6235 7.0931 7.0931 7.2160 7.2160 7.4363 7.4363 7.8177 7.8177 k = 0.2857-0.0540-0.0012 ( 9890 PWs) bands (ev): -12.1550 -12.1550 -11.9367 -11.9367 -9.8623 -9.8623 -9.5023 -9.5023 -9.1362 -9.1362 -9.1017 -9.1017 -8.9009 -8.9009 -8.8212 -8.8212 -5.3132 -5.3132 -4.5052 -4.5052 -3.0947 -3.0947 -3.0549 -3.0549 -2.4901 -2.4901 -2.2967 -2.2967 -1.9594 -1.9594 -1.8019 -1.8019 -1.6939 -1.6939 -1.5250 -1.5250 -1.1012 -1.1012 -1.0240 -1.0240 -0.7847 -0.7847 -0.6572 -0.6572 -0.2874 -0.2874 -0.1102 -0.1102 0.0012 0.0012 0.1478 0.1478 0.6702 0.6702 0.7704 0.7704 1.0847 1.0847 1.3131 1.3131 1.5241 1.5241 1.6185 1.6185 1.9346 1.9346 2.1139 2.1139 2.3886 2.3886 2.5314 2.5314 2.6024 2.6024 2.8160 2.8160 3.2426 3.2426 3.3226 3.3226 4.9289 4.9289 5.2063 5.2063 6.3994 6.3994 6.6419 6.6419 7.0616 7.0616 7.2030 7.2030 7.4129 7.4129 7.8226 7.8226 k = 0.2679-0.0507-0.0011 ( 9889 PWs) bands (ev): -12.1636 -12.1636 -11.9309 -11.9309 -9.8750 -9.8750 -9.4912 -9.4912 -9.1319 -9.1319 -9.1052 -9.1052 -8.8896 -8.8896 -8.8159 -8.8159 -5.3408 -5.3408 -4.4783 -4.4783 -3.1003 -3.1003 -3.0594 -3.0594 -2.5066 -2.5066 -2.3050 -2.3050 -1.9550 -1.9550 -1.7985 -1.7985 -1.6957 -1.6957 -1.5208 -1.5208 -1.1188 -1.1188 -1.0367 -1.0367 -0.7858 -0.7858 -0.6666 -0.6666 -0.2919 -0.2919 -0.0959 -0.0959 0.0131 0.0131 0.1684 0.1684 0.6681 0.6681 0.7721 0.7721 1.0758 1.0758 1.3351 1.3351 1.5250 1.5250 1.6403 1.6403 1.9325 1.9325 2.1218 2.1218 2.3949 2.3949 2.5280 2.5280 2.6052 2.6052 2.8099 2.8099 3.2334 3.2334 3.3207 3.3207 4.9252 4.9252 5.2073 5.2073 6.4040 6.4040 6.6589 6.6589 7.0315 7.0315 7.1894 7.1894 7.3866 7.3866 7.8301 7.8301 k = 0.2500-0.0473-0.0011 ( 9893 PWs) bands (ev): -12.1719 -12.1719 -11.9255 -11.9255 -9.8872 -9.8872 -9.4808 -9.4808 -9.1277 -9.1277 -9.1084 -9.1084 -8.8781 -8.8781 -8.8106 -8.8106 -5.3671 -5.3671 -4.4530 -4.4530 -3.1062 -3.1062 -3.0638 -3.0638 -2.5221 -2.5221 -2.3129 -2.3129 -1.9506 -1.9506 -1.7989 -1.7989 -1.6960 -1.6960 -1.5147 -1.5147 -1.1363 -1.1363 -1.0494 -1.0494 -0.7866 -0.7866 -0.6769 -0.6769 -0.2973 -0.2973 -0.0812 -0.0812 0.0262 0.0262 0.1901 0.1901 0.6660 0.6660 0.7740 0.7740 1.0646 1.0646 1.3546 1.3546 1.5286 1.5286 1.6631 1.6631 1.9299 1.9299 2.1281 2.1281 2.4046 2.4046 2.5219 2.5219 2.6088 2.6088 2.8042 2.8042 3.2244 3.2244 3.3180 3.3180 4.9214 4.9214 5.2089 5.2089 6.4080 6.4080 6.6745 6.6745 7.0030 7.0030 7.1749 7.1749 7.3576 7.3576 7.8394 7.8394 k = 0.2321-0.0439-0.0010 ( 9889 PWs) bands (ev): -12.1798 -12.1798 -11.9205 -11.9205 -9.8987 -9.8987 -9.4708 -9.4708 -9.1245 -9.1245 -9.1107 -9.1107 -8.8664 -8.8664 -8.8054 -8.8054 -5.3919 -5.3919 -4.4293 -4.4293 -3.1124 -3.1124 -3.0681 -3.0681 -2.5366 -2.5366 -2.3205 -2.3205 -1.9464 -1.9464 -1.8017 -1.8017 -1.6965 -1.6965 -1.5065 -1.5065 -1.1535 -1.1535 -1.0621 -1.0621 -0.7871 -0.7871 -0.6879 -0.6879 -0.3033 -0.3033 -0.0661 -0.0661 0.0404 0.0404 0.2131 0.2131 0.6639 0.6639 0.7759 0.7759 1.0513 1.0513 1.3706 1.3706 1.5355 1.5355 1.6857 1.6857 1.9273 1.9273 2.1335 2.1335 2.4167 2.4167 2.5138 2.5138 2.6131 2.6131 2.7991 2.7991 3.2157 3.2157 3.3146 3.3146 4.9172 4.9172 5.2115 5.2115 6.4115 6.4115 6.6885 6.6885 6.9767 6.9767 7.1597 7.1597 7.3265 7.3265 7.8470 7.8470 k = 0.2143-0.0405-0.0009 ( 9883 PWs) bands (ev): -12.1873 -12.1873 -11.9159 -11.9159 -9.9095 -9.9095 -9.4614 -9.4614 -9.1235 -9.1235 -9.1107 -9.1107 -8.8549 -8.8549 -8.8005 -8.8005 -5.4152 -5.4152 -4.4074 -4.4074 -3.1188 -3.1188 -3.0722 -3.0722 -2.5500 -2.5500 -2.3274 -2.3274 -1.9423 -1.9423 -1.8057 -1.8057 -1.6981 -1.6981 -1.4962 -1.4962 -1.1702 -1.1702 -1.0746 -1.0746 -0.7877 -0.7877 -0.6992 -0.6992 -0.3097 -0.3097 -0.0511 -0.0511 0.0553 0.0553 0.2371 0.2371 0.6616 0.6616 0.7779 0.7779 1.0361 1.0361 1.3826 1.3826 1.5460 1.5460 1.7067 1.7067 1.9260 1.9260 2.1384 2.1384 2.4303 2.4303 2.5042 2.5042 2.6176 2.6176 2.7948 2.7948 3.2074 3.2074 3.3106 3.3106 4.9121 4.9121 5.2154 5.2154 6.4142 6.4142 6.7008 6.7008 6.9528 6.9528 7.1437 7.1437 7.2940 7.2940 7.8416 7.8416 k = 0.1964-0.0372-0.0008 ( 9877 PWs) bands (ev): -12.1943 -12.1943 -11.9117 -11.9117 -9.9196 -9.9196 -9.4526 -9.4526 -9.1250 -9.1250 -9.1082 -9.1082 -8.8437 -8.8437 -8.7957 -8.7957 -5.4370 -5.4370 -4.3871 -4.3871 -3.1255 -3.1255 -3.0761 -3.0761 -2.5624 -2.5624 -2.3336 -2.3336 -1.9385 -1.9385 -1.8100 -1.8100 -1.7014 -1.7014 -1.4841 -1.4841 -1.1863 -1.1863 -1.0866 -1.0866 -0.7886 -0.7886 -0.7104 -0.7104 -0.3163 -0.3163 -0.0363 -0.0363 0.0705 0.0705 0.2622 0.2622 0.6593 0.6593 0.7799 0.7799 1.0194 1.0194 1.3905 1.3905 1.5598 1.5598 1.7244 1.7244 1.9272 1.9272 2.1430 2.1430 2.4436 2.4436 2.4945 2.4945 2.6222 2.6222 2.7913 2.7913 3.1996 3.1996 3.3059 3.3059 4.9060 4.9060 5.2211 5.2211 6.4162 6.4162 6.7114 6.7114 6.9314 6.9314 7.1270 7.1270 7.2610 7.2610 7.8166 7.8166 k = 0.1786-0.0338-0.0008 ( 9877 PWs) bands (ev): -12.2008 -12.2008 -11.9079 -11.9079 -9.9290 -9.9290 -9.4443 -9.4443 -9.1277 -9.1277 -9.1046 -9.1046 -8.8330 -8.8330 -8.7911 -8.7911 -5.4572 -5.4572 -4.3687 -4.3687 -3.1322 -3.1322 -3.0797 -3.0797 -2.5736 -2.5736 -2.3390 -2.3390 -1.9349 -1.9349 -1.8139 -1.8139 -1.7064 -1.7064 -1.4709 -1.4709 -1.2014 -1.2014 -1.0979 -1.0979 -0.7902 -0.7902 -0.7211 -0.7211 -0.3229 -0.3229 -0.0218 -0.0218 0.0856 0.0856 0.2882 0.2882 0.6568 0.6568 0.7818 0.7818 1.0015 1.0015 1.3948 1.3948 1.5759 1.5759 1.7376 1.7376 1.9322 1.9322 2.1474 2.1474 2.4528 2.4528 2.4885 2.4885 2.6266 2.6266 2.7886 2.7886 3.1924 3.1924 3.3009 3.3009 4.8988 4.8988 5.2284 5.2284 6.4175 6.4175 6.7202 6.7202 6.9127 6.9127 7.1099 7.1099 7.2284 7.2284 7.7820 7.7820 k = 0.1607-0.0304-0.0007 ( 9868 PWs) bands (ev): -12.2067 -12.2067 -11.9045 -11.9045 -9.9376 -9.9376 -9.4367 -9.4367 -9.1307 -9.1307 -9.1008 -9.1008 -8.8229 -8.8229 -8.7868 -8.7868 -5.4756 -5.4756 -4.3520 -4.3520 -3.1389 -3.1389 -3.0830 -3.0830 -2.5837 -2.5837 -2.3437 -2.3437 -1.9316 -1.9316 -1.8170 -1.8170 -1.7129 -1.7129 -1.4573 -1.4573 -1.2154 -1.2154 -1.1086 -1.1086 -0.7927 -0.7927 -0.7309 -0.7309 -0.3292 -0.3292 -0.0078 -0.0078 0.1004 0.1004 0.3151 0.3151 0.6540 0.6540 0.7836 0.7836 0.9829 0.9829 1.3963 1.3963 1.5932 1.5932 1.7460 1.7460 1.9414 1.9414 2.1515 2.1515 2.4512 2.4512 2.4928 2.4928 2.6310 2.6310 2.7866 2.7866 3.1858 3.1858 3.2954 3.2954 4.8905 4.8905 5.2372 5.2372 6.4182 6.4182 6.7270 6.7270 6.8967 6.8967 7.0924 7.0924 7.1971 7.1971 7.7433 7.7433 k = 0.1429-0.0270-0.0006 ( 9871 PWs) bands (ev): -12.2122 -12.2122 -11.9015 -11.9015 -9.9453 -9.9453 -9.4298 -9.4298 -9.1336 -9.1336 -9.0971 -9.0971 -8.8137 -8.8137 -8.7827 -8.7827 -5.4923 -5.4923 -4.3371 -4.3371 -3.1454 -3.1454 -3.0860 -3.0860 -2.5927 -2.5927 -2.3476 -2.3476 -1.9286 -1.9286 -1.8193 -1.8193 -1.7205 -1.7205 -1.4440 -1.4440 -1.2280 -1.2280 -1.1183 -1.1183 -0.7964 -0.7964 -0.7394 -0.7394 -0.3352 -0.3352 0.0054 0.0054 0.1145 0.1145 0.3426 0.3426 0.6509 0.6509 0.7849 0.7849 0.9641 0.9641 1.3956 1.3956 1.6102 1.6102 1.7505 1.7505 1.9545 1.9545 2.1550 2.1550 2.4416 2.4416 2.5044 2.5044 2.6353 2.6353 2.7851 2.7851 3.1799 3.1799 3.2899 3.2899 4.8814 4.8814 5.2473 5.2473 6.4186 6.4186 6.7315 6.7315 6.8837 6.8837 7.0747 7.0747 7.1681 7.1681 7.7034 7.7034 k = 0.1250-0.0236-0.0005 ( 9867 PWs) bands (ev): -12.2170 -12.2170 -11.8988 -11.8988 -9.9522 -9.9522 -9.4235 -9.4235 -9.1363 -9.1363 -9.0937 -9.0937 -8.8054 -8.8054 -8.7787 -8.7787 -5.5072 -5.5072 -4.3240 -4.3240 -3.1516 -3.1516 -3.0887 -3.0887 -2.6006 -2.6006 -2.3507 -2.3507 -1.9257 -1.9257 -1.8209 -1.8209 -1.7286 -1.7286 -1.4318 -1.4318 -1.2388 -1.2388 -1.1270 -1.1270 -0.8013 -0.8013 -0.7463 -0.7463 -0.3407 -0.3407 0.0177 0.0177 0.1276 0.1276 0.3705 0.3705 0.6470 0.6470 0.7857 0.7857 0.9457 0.9457 1.3934 1.3934 1.6257 1.6257 1.7528 1.7528 1.9700 1.9700 2.1576 2.1576 2.4297 2.4297 2.5178 2.5178 2.6396 2.6396 2.7839 2.7839 3.1748 3.1748 3.2843 3.2843 4.8720 4.8720 5.2580 5.2580 6.4187 6.4187 6.7338 6.7338 6.8737 6.8737 7.0572 7.0572 7.1420 7.1420 7.6642 7.6642 k = 0.1071-0.0203-0.0005 ( 9873 PWs) bands (ev): -12.2212 -12.2212 -11.8965 -11.8965 -9.9582 -9.9582 -9.4180 -9.4180 -9.1387 -9.1387 -9.0906 -9.0906 -8.7983 -8.7983 -8.7749 -8.7749 -5.5202 -5.5202 -4.3127 -4.3127 -3.1573 -3.1573 -3.0910 -3.0910 -2.6073 -2.6073 -2.3532 -2.3532 -1.9230 -1.9230 -1.8218 -1.8218 -1.7367 -1.7367 -1.4213 -1.4213 -1.2474 -1.2474 -1.1347 -1.1347 -0.8072 -0.8072 -0.7516 -0.7516 -0.3456 -0.3456 0.0289 0.0289 0.1395 0.1395 0.3986 0.3986 0.6423 0.6423 0.7858 0.7858 0.9285 0.9285 1.3901 1.3901 1.6385 1.6385 1.7547 1.7547 1.9866 1.9866 2.1590 2.1590 2.4178 2.4178 2.5309 2.5309 2.6439 2.6439 2.7828 2.7828 3.1704 3.1704 3.2789 3.2789 4.8627 4.8627 5.2689 5.2689 6.4187 6.4187 6.7337 6.7337 6.8667 6.8667 7.0403 7.0403 7.1195 7.1195 7.6272 7.6272 k = 0.0893-0.0169-0.0004 ( 9864 PWs) bands (ev): -12.2248 -12.2248 -11.8946 -11.8946 -9.9633 -9.9633 -9.4133 -9.4133 -9.1409 -9.1409 -9.0879 -9.0879 -8.7925 -8.7925 -8.7713 -8.7713 -5.5313 -5.5313 -4.3032 -4.3032 -3.1624 -3.1624 -3.0931 -3.0931 -2.6130 -2.6130 -2.3551 -2.3551 -1.9204 -1.9204 -1.8223 -1.8223 -1.7444 -1.7444 -1.4130 -1.4130 -1.2536 -1.2536 -1.1413 -1.1413 -0.8137 -0.8137 -0.7554 -0.7554 -0.3499 -0.3499 0.0387 0.0387 0.1499 0.1499 0.4265 0.4265 0.6362 0.6362 0.7848 0.7848 0.9132 0.9132 1.3863 1.3863 1.6481 1.6481 1.7577 1.7577 2.0031 2.0031 2.1592 2.1592 2.4067 2.4067 2.5429 2.5429 2.6481 2.6481 2.7818 2.7818 3.1668 3.1668 3.2739 3.2739 4.8539 4.8539 5.2795 5.2795 6.4188 6.4188 6.7317 6.7317 6.8623 6.8623 7.0245 7.0245 7.1008 7.1008 7.5938 7.5938 k = 0.0714-0.0135-0.0003 ( 9869 PWs) bands (ev): -12.2278 -12.2278 -11.8930 -11.8930 -9.9676 -9.9676 -9.4093 -9.4093 -9.1427 -9.1427 -9.0857 -9.0857 -8.7879 -8.7879 -8.7680 -8.7680 -5.5405 -5.5405 -4.2954 -4.2954 -3.1668 -3.1668 -3.0947 -3.0947 -2.6176 -2.6176 -2.3565 -2.3565 -1.9180 -1.9180 -1.8228 -1.8228 -1.7512 -1.7512 -1.4071 -1.4071 -1.2575 -1.2575 -1.1467 -1.1467 -0.8200 -0.8200 -0.7582 -0.7582 -0.3535 -0.3535 0.0471 0.0471 0.1586 0.1586 0.4538 0.4538 0.6284 0.6284 0.7829 0.7829 0.9005 0.9005 1.3824 1.3824 1.6542 1.6542 1.7619 1.7619 2.0184 2.0184 2.1581 2.1581 2.3968 2.3968 2.5535 2.5535 2.6520 2.6520 2.7806 2.7806 3.1639 3.1639 3.2695 3.2695 4.8461 4.8461 5.2890 5.2890 6.4189 6.4189 6.7282 6.7282 6.8600 6.8600 7.0105 7.0105 7.0858 7.0858 7.5650 7.5650 k = 0.0536-0.0101-0.0002 ( 9876 PWs) bands (ev): -12.2301 -12.2301 -11.8918 -11.8918 -9.9709 -9.9709 -9.4062 -9.4062 -9.1441 -9.1441 -9.0839 -9.0839 -8.7846 -8.7846 -8.7652 -8.7652 -5.5476 -5.5476 -4.2894 -4.2894 -3.1704 -3.1704 -3.0961 -3.0961 -2.6211 -2.6211 -2.3574 -2.3574 -1.9157 -1.9157 -1.8233 -1.8233 -1.7567 -1.7567 -1.4033 -1.4033 -1.2595 -1.2595 -1.1510 -1.1510 -0.8255 -0.8255 -0.7601 -0.7601 -0.3563 -0.3563 0.0538 0.0538 0.1656 0.1656 0.4799 0.4799 0.6188 0.6188 0.7802 0.7802 0.8909 0.8909 1.3788 1.3788 1.6575 1.6575 1.7668 1.7668 2.0319 2.0319 2.1561 2.1561 2.3887 2.3887 2.5622 2.5622 2.6555 2.6555 2.7795 2.7795 3.1617 3.1617 3.2658 3.2658 4.8396 4.8396 5.2970 5.2970 6.4191 6.4191 6.7242 6.7242 6.8591 6.8591 6.9990 6.9990 7.0744 7.0744 7.5417 7.5417 k = 0.0357-0.0068-0.0002 ( 9874 PWs) bands (ev): -12.2318 -12.2318 -11.8909 -11.8909 -9.9732 -9.9732 -9.4040 -9.4040 -9.1451 -9.1451 -9.0826 -9.0826 -8.7823 -8.7823 -8.7629 -8.7629 -5.5528 -5.5528 -4.2851 -4.2851 -3.1730 -3.1730 -3.0971 -3.0971 -2.6236 -2.6236 -2.3580 -2.3580 -1.9139 -1.9139 -1.8239 -1.8239 -1.7607 -1.7607 -1.4012 -1.4012 -1.2601 -1.2601 -1.1541 -1.1541 -0.8299 -0.8299 -0.7613 -0.7613 -0.3583 -0.3583 0.0587 0.0587 0.1707 0.1707 0.5036 0.5036 0.6074 0.6074 0.7775 0.7775 0.8843 0.8843 1.3759 1.3759 1.6591 1.6591 1.7713 1.7713 2.0425 2.0425 2.1537 2.1537 2.3827 2.3827 2.5688 2.5688 2.6581 2.6581 2.7786 2.7786 3.1602 3.1602 3.2631 3.2631 4.8347 4.8347 5.3031 5.3031 6.4193 6.4193 6.7205 6.7205 6.8591 6.8591 6.9903 6.9903 7.0665 7.0665 7.5245 7.5245 k = 0.0179-0.0034-0.0001 ( 9879 PWs) bands (ev): -12.2328 -12.2328 -11.8904 -11.8904 -9.9746 -9.9746 -9.4026 -9.4026 -9.1458 -9.1458 -9.0819 -9.0819 -8.7810 -8.7810 -8.7615 -8.7615 -5.5559 -5.5559 -4.2825 -4.2825 -3.1746 -3.1746 -3.0976 -3.0976 -2.6251 -2.6251 -2.3584 -2.3584 -1.9127 -1.9127 -1.8244 -1.8244 -1.7630 -1.7630 -1.4002 -1.4002 -1.2601 -1.2601 -1.1559 -1.1559 -0.8327 -0.8327 -0.7621 -0.7621 -0.3595 -0.3595 0.0616 0.0616 0.1738 0.1738 0.5225 0.5225 0.5962 0.5962 0.7754 0.7754 0.8806 0.8806 1.3740 1.3740 1.6597 1.6597 1.7745 1.7745 2.0495 2.0495 2.1517 2.1517 2.3790 2.3790 2.5729 2.5729 2.6599 2.6599 2.7779 2.7779 3.1593 3.1593 3.2614 3.2614 4.8317 4.8317 5.3069 5.3069 6.4195 6.4195 6.7180 6.7180 6.8594 6.8594 6.9850 6.9850 7.0618 7.0618 7.5140 7.5140 k = 0.0000 0.0000 0.0000 ( 9883 PWs) bands (ev): -12.2332 -12.2332 -11.8902 -11.8902 -9.9751 -9.9751 -9.4022 -9.4022 -9.1460 -9.1460 -9.0816 -9.0816 -8.7806 -8.7806 -8.7610 -8.7610 -5.5569 -5.5569 -4.2816 -4.2816 -3.1751 -3.1751 -3.0978 -3.0978 -2.6256 -2.6256 -2.3585 -2.3585 -1.9122 -1.9122 -1.8246 -1.8246 -1.7638 -1.7638 -1.4000 -1.4000 -1.2600 -1.2600 -1.1566 -1.1566 -0.8336 -0.8336 -0.7623 -0.7623 -0.3599 -0.3599 0.0626 0.0626 0.1748 0.1748 0.5307 0.5307 0.5907 0.5907 0.7746 0.7746 0.8794 0.8794 1.3734 1.3734 1.6598 1.6598 1.7756 1.7756 2.0519 2.0519 2.1509 2.1509 2.3778 2.3778 2.5742 2.5742 2.6604 2.6604 2.7777 2.7777 3.1590 3.1590 3.2608 3.2608 4.8306 4.8306 5.3082 5.3082 6.4195 6.4195 6.7171 6.7171 6.8595 6.8595 6.9832 6.9832 7.0602 7.0602 7.5104 7.5104 k = 0.0000 0.0000 0.0000 ( 9883 PWs) bands (ev): -12.2332 -12.2332 -11.8902 -11.8902 -9.9751 -9.9751 -9.4022 -9.4022 -9.1460 -9.1460 -9.0816 -9.0816 -8.7806 -8.7806 -8.7610 -8.7610 -5.5569 -5.5569 -4.2816 -4.2816 -3.1751 -3.1751 -3.0978 -3.0978 -2.6256 -2.6256 -2.3585 -2.3585 -1.9122 -1.9122 -1.8246 -1.8246 -1.7638 -1.7638 -1.4000 -1.4000 -1.2600 -1.2600 -1.1566 -1.1566 -0.8336 -0.8336 -0.7623 -0.7623 -0.3599 -0.3599 0.0626 0.0626 0.1748 0.1748 0.5307 0.5307 0.5907 0.5907 0.7746 0.7746 0.8794 0.8794 1.3734 1.3734 1.6598 1.6598 1.7756 1.7756 2.0519 2.0519 2.1509 2.1509 2.3778 2.3778 2.5742 2.5742 2.6604 2.6604 2.7777 2.7777 3.1590 3.1590 3.2608 3.2608 4.8306 4.8306 5.3082 5.3082 6.4195 6.4195 6.7171 6.7171 6.8595 6.8595 6.9832 6.9832 7.0602 7.0602 7.5104 7.5104 k = 0.0000 0.0179-0.0037 ( 9875 PWs) bands (ev): -12.2328 -12.2328 -11.8906 -11.8906 -9.9747 -9.9747 -9.4031 -9.4031 -9.1458 -9.1458 -9.0814 -9.0814 -8.7808 -8.7808 -8.7613 -8.7613 -5.5553 -5.5553 -4.2829 -4.2829 -3.1747 -3.1747 -3.0975 -3.0975 -2.6255 -2.6255 -2.3582 -2.3582 -1.9125 -1.9125 -1.8236 -1.8236 -1.7634 -1.7634 -1.4004 -1.4004 -1.2598 -1.2598 -1.1572 -1.1572 -0.8326 -0.8326 -0.7619 -0.7619 -0.3595 -0.3595 0.0618 0.0618 0.1737 0.1737 0.5199 0.5199 0.5982 0.5982 0.7752 0.7752 0.8808 0.8808 1.3744 1.3744 1.6588 1.6588 1.7737 1.7737 2.0473 2.0473 2.1558 2.1558 2.3795 2.3795 2.5730 2.5730 2.6580 2.6580 2.7785 2.7785 3.1583 3.1583 3.2594 3.2594 4.8326 4.8326 5.3077 5.3077 6.4201 6.4201 6.7179 6.7179 6.8614 6.8614 6.9853 6.9853 7.0625 7.0625 7.5125 7.5125 k = 0.0000 0.0359-0.0074 ( 9873 PWs) bands (ev): -12.2317 -12.2317 -11.8916 -11.8916 -9.9734 -9.9734 -9.4058 -9.4058 -9.1451 -9.1451 -9.0807 -9.0807 -8.7812 -8.7812 -8.7623 -8.7623 -5.5507 -5.5507 -4.2866 -4.2866 -3.1735 -3.1735 -3.0966 -3.0966 -2.6252 -2.6252 -2.3573 -2.3573 -1.9133 -1.9133 -1.8208 -1.8208 -1.7619 -1.7619 -1.4019 -1.4019 -1.2592 -1.2592 -1.1591 -1.1591 -0.8297 -0.8297 -0.7605 -0.7605 -0.3582 -0.3582 0.0595 0.0595 0.1705 0.1705 0.4961 0.4961 0.6123 0.6123 0.7767 0.7767 0.8853 0.8853 1.3775 1.3775 1.6554 1.6554 1.7684 1.7684 2.0360 2.0360 2.1680 2.1680 2.3847 2.3847 2.5693 2.5693 2.6506 2.6506 2.7808 2.7808 3.1562 3.1562 3.2553 3.2553 4.8383 4.8383 5.3064 5.3064 6.4219 6.4219 6.7201 6.7201 6.8672 6.8672 6.9916 6.9916 7.0692 7.0692 7.5188 7.5188 k = 0.0000 0.0538-0.0110 ( 9875 PWs) bands (ev): -12.2299 -12.2299 -11.8934 -11.8934 -9.9713 -9.9713 -9.4102 -9.4102 -9.1441 -9.1441 -9.0795 -9.0795 -8.7821 -8.7821 -8.7638 -8.7638 -5.5430 -5.5430 -4.2928 -4.2928 -3.1716 -3.1716 -3.0951 -3.0951 -2.6246 -2.6246 -2.3559 -2.3559 -1.9144 -1.9144 -1.8167 -1.8167 -1.7594 -1.7594 -1.4048 -1.4048 -1.2581 -1.2581 -1.1615 -1.1615 -0.8254 -0.8254 -0.7581 -0.7581 -0.3561 -0.3561 0.0556 0.0556 0.1651 0.1651 0.4670 0.4670 0.6260 0.6260 0.7785 0.7785 0.8927 0.8927 1.3824 1.3824 1.6496 1.6496 1.7607 1.7607 2.0213 2.0213 2.1834 2.1834 2.3933 2.3933 2.5635 2.5635 2.6389 2.6389 2.7843 2.7843 3.1528 3.1528 3.2488 3.2488 4.8475 4.8475 5.3043 5.3043 6.4250 6.4250 6.7230 6.7230 6.8774 6.8774 7.0020 7.0020 7.0803 7.0803 7.5292 7.5292 k = 0.0000 0.0718-0.0147 ( 9875 PWs) bands (ev): -12.2274 -12.2274 -11.8959 -11.8959 -9.9683 -9.9683 -9.4164 -9.4164 -9.1426 -9.1426 -9.0779 -9.0779 -8.7832 -8.7832 -8.7659 -8.7659 -5.5323 -5.5323 -4.3014 -4.3014 -3.1689 -3.1689 -3.0930 -3.0930 -2.6237 -2.6237 -2.3540 -2.3540 -1.9156 -1.9156 -1.8119 -1.8119 -1.7556 -1.7556 -1.4095 -1.4095 -1.2561 -1.2561 -1.1637 -1.1637 -0.8201 -0.8201 -0.7547 -0.7547 -0.3532 -0.3532 0.0501 0.0501 0.1579 0.1579 0.4351 0.4351 0.6375 0.6375 0.7800 0.7800 0.9029 0.9029 1.3888 1.3888 1.6411 1.6411 1.7520 1.7520 2.0054 2.0054 2.1989 2.1989 2.4050 2.4050 2.5558 2.5558 2.6236 2.6236 2.7884 2.7884 3.1484 3.1484 3.2400 3.2400 4.8598 4.8598 5.3013 5.3013 6.4296 6.4296 6.7257 6.7257 6.8925 6.8925 7.0162 7.0162 7.0954 7.0954 7.5436 7.5436 k = 0.0000 0.0897-0.0184 ( 9875 PWs) bands (ev): -12.2242 -12.2242 -11.8992 -11.8992 -9.9645 -9.9645 -9.4242 -9.4242 -9.1407 -9.1407 -9.0760 -9.0760 -8.7849 -8.7849 -8.7684 -8.7684 -5.5187 -5.5187 -4.3124 -4.3124 -3.1656 -3.1656 -3.0903 -3.0903 -2.6225 -2.6225 -2.3515 -2.3515 -1.9167 -1.9167 -1.8071 -1.8071 -1.7503 -1.7503 -1.4166 -1.4166 -1.2528 -1.2528 -1.1649 -1.1649 -0.8145 -0.8145 -0.7502 -0.7502 -0.3496 -0.3496 0.0429 0.0429 0.1488 0.1488 0.4018 0.4018 0.6465 0.6465 0.7809 0.7809 0.9153 0.9153 1.3962 1.3962 1.6299 1.6299 1.7436 1.7436 1.9891 1.9891 2.2130 2.2130 2.4189 2.4189 2.5466 2.5466 2.6059 2.6059 2.7925 2.7925 3.1431 3.1431 3.2295 3.2295 4.8748 4.8748 5.2975 5.2975 6.4361 6.4361 6.7277 6.7277 6.9126 6.9126 7.0342 7.0342 7.1144 7.1144 7.5617 7.5617 k = 0.0000 0.1077-0.0221 ( 9876 PWs) bands (ev): -12.2204 -12.2204 -11.9030 -11.9030 -9.9598 -9.9598 -9.4335 -9.4335 -9.1384 -9.1384 -9.0737 -9.0737 -8.7870 -8.7870 -8.7713 -8.7713 -5.5023 -5.5023 -4.3258 -4.3258 -3.1616 -3.1616 -3.0872 -3.0872 -2.6209 -2.6209 -2.3486 -2.3486 -1.9177 -1.9177 -1.8028 -1.8028 -1.7433 -1.7433 -1.4262 -1.4262 -1.2478 -1.2478 -1.1646 -1.1646 -0.8091 -0.8091 -0.7446 -0.7446 -0.3455 -0.3455 0.0340 0.0340 0.1380 0.1380 0.3677 0.3677 0.6535 0.6535 0.7809 0.7809 0.9292 0.9292 1.4039 1.4039 1.6166 1.6166 1.7365 1.7365 1.9727 1.9727 2.2249 2.2249 2.4333 2.4333 2.5366 2.5366 2.5873 2.5873 2.7962 2.7962 3.1370 3.1370 3.2178 3.2178 4.8919 4.8919 5.2930 5.2930 6.4446 6.4446 6.7284 6.7284 6.9374 6.9374 7.0558 7.0558 7.1368 7.1368 7.5832 7.5832 k = 0.0000 0.1256-0.0257 ( 9877 PWs) bands (ev): -12.2158 -12.2158 -11.9076 -11.9076 -9.9543 -9.9543 -9.4443 -9.4443 -9.1358 -9.1358 -9.0711 -9.0711 -8.7898 -8.7898 -8.7742 -8.7742 -5.4831 -5.4831 -4.3416 -4.3416 -3.1571 -3.1571 -3.0836 -3.0836 -2.6188 -2.6188 -2.3452 -2.3452 -1.9184 -1.9184 -1.7997 -1.7997 -1.7347 -1.7347 -1.4382 -1.4382 -1.2409 -1.2409 -1.1623 -1.1623 -0.8041 -0.8041 -0.7379 -0.7379 -0.3410 -0.3410 0.0234 0.0234 0.1258 0.1258 0.3333 0.3333 0.6589 0.6589 0.7801 0.7801 0.9434 0.9434 1.4110 1.4110 1.6026 1.6026 1.7311 1.7311 1.9564 1.9564 2.2343 2.2343 2.4444 2.4444 2.5273 2.5273 2.5705 2.5705 2.7990 2.7990 3.1303 3.1303 3.2057 3.2057 4.9105 4.9105 5.2878 5.2878 6.4553 6.4553 6.7280 6.7280 6.9662 6.9662 7.0809 7.0809 7.1621 7.1621 7.6074 7.6074 k = 0.0000 0.1435-0.0294 ( 9884 PWs) bands (ev): -12.2106 -12.2106 -11.9128 -11.9128 -9.9479 -9.9479 -9.4563 -9.4563 -9.1328 -9.1328 -9.0682 -9.0682 -8.7934 -8.7934 -8.7772 -8.7772 -5.4613 -5.4613 -4.3595 -4.3595 -3.1521 -3.1521 -3.0796 -3.0796 -2.6162 -2.6162 -2.3416 -2.3416 -1.9188 -1.9188 -1.7980 -1.7980 -1.7247 -1.7247 -1.4522 -1.4522 -1.2320 -1.2320 -1.1579 -1.1579 -0.7999 -0.7999 -0.7303 -0.7303 -0.3362 -0.3362 0.0112 0.0112 0.1121 0.1121 0.2993 0.2993 0.6630 0.6630 0.7786 0.7786 0.9573 0.9573 1.4160 1.4160 1.5898 1.5898 1.7276 1.7276 1.9404 1.9404 2.2411 2.2411 2.4464 2.4464 2.5205 2.5205 2.5598 2.5598 2.8006 2.8006 3.1227 3.1227 3.1943 3.1943 4.9299 4.9299 5.2820 5.2820 6.4684 6.4684 6.7266 6.7266 6.9980 6.9980 7.1096 7.1096 7.1898 7.1898 7.6337 7.6337 k = 0.0000 0.1615-0.0331 ( 9879 PWs) bands (ev): -12.2048 -12.2048 -11.9187 -11.9187 -9.9407 -9.9407 -9.4696 -9.4696 -9.1294 -9.1294 -9.0651 -9.0651 -8.7976 -8.7976 -8.7801 -8.7801 -5.4370 -5.4370 -4.3797 -4.3797 -3.1467 -3.1467 -3.0754 -3.0754 -2.6131 -2.6131 -2.3377 -2.3377 -1.9189 -1.9189 -1.7977 -1.7977 -1.7137 -1.7137 -1.4674 -1.4674 -1.2211 -1.2211 -1.1514 -1.1514 -0.7965 -0.7965 -0.7222 -0.7222 -0.3313 -0.3313 -0.0024 -0.0024 0.0972 0.0972 0.2661 0.2661 0.6663 0.6663 0.7766 0.7766 0.9699 0.9699 1.4173 1.4173 1.5802 1.5802 1.7256 1.7256 1.9249 1.9249 2.2452 2.2452 2.4360 2.4360 2.5134 2.5134 2.5612 2.5612 2.8007 2.8007 3.1140 3.1140 3.1844 3.1844 4.9496 4.9496 5.2758 5.2758 6.4837 6.4837 6.7245 6.7245 7.0314 7.0314 7.1421 7.1421 7.2196 7.2196 7.6612 7.6612 k = 0.0000 0.1794-0.0368 ( 9885 PWs) bands (ev): -12.1984 -12.1984 -11.9251 -11.9251 -9.9326 -9.9326 -9.4840 -9.4840 -9.1257 -9.1257 -9.0619 -9.0619 -8.8025 -8.8025 -8.7829 -8.7829 -5.4103 -5.4103 -4.4020 -4.4020 -3.1410 -3.1410 -3.0708 -3.0708 -2.6092 -2.6092 -2.3338 -2.3338 -1.9189 -1.9189 -1.7992 -1.7992 -1.7022 -1.7022 -1.4829 -1.4829 -1.2085 -1.2085 -1.1429 -1.1429 -0.7937 -0.7937 -0.7137 -0.7137 -0.3266 -0.3266 -0.0172 -0.0172 0.0811 0.0811 0.2341 0.2341 0.6688 0.6688 0.7743 0.7743 0.9808 0.9808 1.4135 1.4135 1.5754 1.5754 1.7251 1.7251 1.9104 1.9104 2.2464 2.2464 2.4177 2.4177 2.5030 2.5030 2.5739 2.5739 2.7993 2.7993 3.1042 3.1042 3.1769 3.1769 4.9691 4.9691 5.2691 5.2691 6.5013 6.5013 6.7223 6.7223 7.0650 7.0650 7.1783 7.1783 7.2512 7.2512 7.6890 7.6890 k = 0.0000 0.1974-0.0404 ( 9878 PWs) bands (ev): -12.1914 -12.1914 -11.9322 -11.9322 -9.9237 -9.9237 -9.4994 -9.4994 -9.1217 -9.1217 -9.0587 -9.0587 -8.8080 -8.8080 -8.7857 -8.7857 -5.3815 -5.3815 -4.4263 -4.4263 -3.1350 -3.1350 -3.0661 -3.0661 -2.6045 -2.6045 -2.3301 -2.3301 -1.9186 -1.9186 -1.8025 -1.8025 -1.6906 -1.6906 -1.4977 -1.4977 -1.1946 -1.1946 -1.1325 -1.1325 -0.7917 -0.7917 -0.7054 -0.7054 -0.3221 -0.3221 -0.0329 -0.0329 0.0638 0.0638 0.2036 0.2036 0.6709 0.6709 0.7719 0.7719 0.9896 0.9896 1.4045 1.4045 1.5758 1.5758 1.7260 1.7260 1.8975 1.8975 2.2444 2.2444 2.3963 2.3963 2.4913 2.4913 2.5913 2.5913 2.7965 2.7965 3.0937 3.0937 3.1720 3.1720 4.9878 4.9878 5.2622 5.2622 6.5208 6.5208 6.7201 6.7201 7.0979 7.0979 7.2180 7.2180 7.2843 7.2843 7.7161 7.7161 k = 0.0000 0.2153-0.0441 ( 9878 PWs) bands (ev): -12.1838 -12.1838 -11.9398 -11.9398 -9.9140 -9.9140 -9.5156 -9.5156 -9.1174 -9.1174 -9.0554 -9.0554 -8.8138 -8.8138 -8.7884 -8.7884 -5.3508 -5.3508 -4.4526 -4.4526 -3.1290 -3.1290 -3.0613 -3.0613 -2.5991 -2.5991 -2.3266 -2.3266 -1.9183 -1.9183 -1.8077 -1.8077 -1.6791 -1.6791 -1.5110 -1.5110 -1.1795 -1.1795 -1.1202 -1.1202 -0.7902 -0.7902 -0.6974 -0.6974 -0.3181 -0.3181 -0.0491 -0.0491 0.0455 0.0455 0.1750 0.1750 0.6725 0.6725 0.7692 0.7692 0.9962 0.9962 1.3908 1.3908 1.5801 1.5801 1.7281 1.7281 1.8867 1.8867 2.2388 2.2388 2.3750 2.3750 2.4794 2.4794 2.6097 2.6097 2.7923 2.7923 3.0832 3.0832 3.1694 3.1694 5.0054 5.0054 5.2550 5.2550 6.5417 6.5417 6.7185 6.7185 7.1293 7.1293 7.2603 7.2603 7.3190 7.3190 7.7420 7.7420 k = 0.0000 0.2333-0.0478 ( 9878 PWs) bands (ev): -12.1758 -12.1758 -11.9479 -11.9479 -9.9034 -9.9034 -9.5326 -9.5326 -9.1129 -9.1129 -9.0522 -9.0522 -8.8199 -8.8199 -8.7911 -8.7911 -5.3181 -5.3181 -4.4807 -4.4807 -3.1229 -3.1229 -3.0564 -3.0564 -2.5927 -2.5927 -2.3238 -2.3238 -1.9181 -1.9181 -1.8149 -1.8149 -1.6679 -1.6679 -1.5222 -1.5222 -1.1638 -1.1638 -1.1064 -1.1064 -0.7893 -0.7893 -0.6901 -0.6901 -0.3146 -0.3146 -0.0653 -0.0653 0.0265 0.0265 0.1484 0.1484 0.6740 0.6740 0.7664 0.7664 1.0009 1.0009 1.3737 1.3737 1.5869 1.5869 1.7315 1.7315 1.8788 1.8788 2.2290 2.2290 2.3555 2.3555 2.4680 2.4680 2.6274 2.6274 2.7870 2.7870 3.0737 3.0737 3.1686 3.1686 5.0216 5.0216 5.2479 5.2479 6.5635 6.5635 6.7178 6.7178 7.1590 7.1590 7.3036 7.3036 7.3555 7.3555 7.7662 7.7662 k = 0.0000 0.2512-0.0515 ( 9863 PWs) bands (ev): -12.1672 -12.1672 -11.9565 -11.9565 -9.8920 -9.8920 -9.5502 -9.5502 -9.1081 -9.1081 -9.0492 -9.0492 -8.8260 -8.8260 -8.7938 -8.7938 -5.2838 -5.2838 -4.5105 -4.5105 -3.1170 -3.1170 -3.0516 -3.0516 -2.5854 -2.5854 -2.3217 -2.3217 -1.9180 -1.9180 -1.8239 -1.8239 -1.6571 -1.6571 -1.5311 -1.5311 -1.1476 -1.1476 -1.0912 -1.0912 -0.7889 -0.7889 -0.6838 -0.6838 -0.3117 -0.3117 -0.0815 -0.0815 0.0074 0.0074 0.1238 0.1238 0.6753 0.6753 0.7635 0.7635 1.0040 1.0040 1.3541 1.3541 1.5947 1.5947 1.7360 1.7360 1.8742 1.8742 2.2153 2.2153 2.3385 2.3385 2.4572 2.4572 2.6434 2.6434 2.7807 2.7807 3.0658 3.0658 3.1691 3.1691 5.0363 5.0363 5.2408 5.2408 6.5851 6.5851 6.7187 6.7187 7.1870 7.1870 7.3458 7.3458 7.3946 7.3946 7.7885 7.7885 k = 0.0000 0.2692-0.0551 ( 9857 PWs) bands (ev): -12.1582 -12.1582 -11.9655 -11.9655 -9.8799 -9.8799 -9.5683 -9.5683 -9.1031 -9.1031 -9.0465 -9.0465 -8.8321 -8.8321 -8.7964 -8.7964 -5.2481 -5.2481 -4.5420 -4.5420 -3.1113 -3.1113 -3.0469 -3.0469 -2.5772 -2.5772 -2.3207 -2.3207 -1.9183 -1.9183 -1.8340 -1.8340 -1.6467 -1.6467 -1.5377 -1.5377 -1.1311 -1.1311 -1.0750 -1.0750 -0.7887 -0.7887 -0.6789 -0.6789 -0.3094 -0.3094 -0.0974 -0.0974 -0.0110 -0.0110 0.1011 0.1011 0.6765 0.6765 0.7603 0.7603 1.0059 1.0059 1.3329 1.3329 1.6024 1.6024 1.7417 1.7417 1.8734 1.8734 2.1983 2.1983 2.3237 2.3237 2.4475 2.4475 2.6573 2.6573 2.7738 2.7738 3.0602 3.0602 3.1703 3.1703 5.0492 5.0492 5.2340 5.2340 6.6052 6.6052 6.7220 6.7220 7.2133 7.2133 7.3847 7.3847 7.4368 7.4368 7.8092 7.8092 k = 0.0000 0.2871-0.0588 ( 9861 PWs) bands (ev): -12.1489 -12.1489 -11.9750 -11.9750 -9.8670 -9.8670 -9.5868 -9.5868 -9.0980 -9.0980 -9.0441 -9.0441 -8.8380 -8.8380 -8.7991 -8.7991 -5.2111 -5.2111 -4.5750 -4.5750 -3.1059 -3.1059 -3.0425 -3.0425 -2.5681 -2.5681 -2.3209 -2.3209 -1.9191 -1.9191 -1.8447 -1.8447 -1.6369 -1.6369 -1.5423 -1.5423 -1.1146 -1.1146 -1.0585 -1.0585 -0.7886 -0.7886 -0.6757 -0.6757 -0.3073 -0.3073 -0.1133 -0.1133 -0.0277 -0.0277 0.0803 0.0803 0.6778 0.6778 0.7568 0.7568 1.0072 1.0072 1.3104 1.3104 1.6094 1.6094 1.7483 1.7483 1.8763 1.8763 2.1790 2.1790 2.3104 2.3104 2.4389 2.4389 2.6690 2.6690 2.7664 2.7664 3.0569 3.0569 3.1718 3.1718 5.0605 5.0605 5.2274 5.2274 6.6225 6.6225 6.7285 6.7285 7.2381 7.2381 7.4194 7.4194 7.4812 7.4812 7.8288 7.8288 k = 0.0000 0.3050-0.0625 ( 9863 PWs) bands (ev): -12.1391 -12.1391 -11.9848 -11.9848 -9.8533 -9.8533 -9.6056 -9.6056 -9.0928 -9.0928 -9.0420 -9.0420 -8.8437 -8.8437 -8.8016 -8.8016 -5.1731 -5.1731 -4.6094 -4.6094 -3.1009 -3.1009 -3.0383 -3.0383 -2.5583 -2.5583 -2.3224 -2.3224 -1.9208 -1.9208 -1.8550 -1.8550 -1.6275 -1.6275 -1.5455 -1.5455 -1.0981 -1.0981 -1.0424 -1.0424 -0.7883 -0.7883 -0.6747 -0.6747 -0.3051 -0.3051 -0.1295 -0.1295 -0.0419 -0.0419 0.0611 0.0611 0.6793 0.6793 0.7530 0.7530 1.0086 1.0086 1.2872 1.2872 1.6154 1.6154 1.7556 1.7556 1.8825 1.8825 2.1586 2.1586 2.2980 2.2980 2.4316 2.4316 2.6784 2.6784 2.7588 2.7588 3.0559 3.0559 3.1735 3.1735 5.0700 5.0700 5.2213 5.2213 6.6357 6.6357 6.7385 6.7385 7.2614 7.2614 7.4503 7.4503 7.5258 7.5258 7.8480 7.8480 k = 0.0000 0.3230-0.0662 ( 9858 PWs) bands (ev): -12.1291 -12.1291 -11.9948 -11.9948 -9.8390 -9.8390 -9.6246 -9.6246 -9.0877 -9.0877 -9.0405 -9.0405 -8.8488 -8.8488 -8.8040 -8.8040 -5.1342 -5.1342 -4.6450 -4.6450 -3.0964 -3.0964 -3.0344 -3.0344 -2.5479 -2.5479 -2.3253 -2.3253 -1.9234 -1.9234 -1.8641 -1.8641 -1.6185 -1.6185 -1.5477 -1.5477 -1.0819 -1.0819 -1.0273 -1.0273 -0.7874 -0.7874 -0.6762 -0.6762 -0.3022 -0.3022 -0.1462 -0.1462 -0.0528 -0.0528 0.0436 0.0436 0.6809 0.6809 0.7488 0.7488 1.0105 1.0105 1.2639 1.2639 1.6203 1.6203 1.7634 1.7634 1.8916 1.8916 2.1380 2.1380 2.2862 2.2862 2.4256 2.4256 2.6859 2.6859 2.7514 2.7514 3.0569 3.0569 3.1750 3.1750 5.0780 5.0780 5.2158 5.2158 6.6447 6.6447 6.7516 6.7516 7.2830 7.2830 7.4774 7.4774 7.5684 7.5684 7.8680 7.8680 k = 0.0000 0.3409-0.0698 ( 9863 PWs) bands (ev): -12.1189 -12.1189 -12.0051 -12.0051 -9.8239 -9.8239 -9.6436 -9.6436 -9.0828 -9.0828 -9.0395 -9.0395 -8.8534 -8.8534 -8.8061 -8.8061 -5.0948 -5.0948 -4.6815 -4.6815 -3.0926 -3.0926 -3.0310 -3.0310 -2.5372 -2.5372 -2.3295 -2.3295 -1.9270 -1.9270 -1.8712 -1.8712 -1.6102 -1.6102 -1.5493 -1.5493 -1.0661 -1.0661 -1.0144 -1.0144 -0.7852 -0.7852 -0.6802 -0.6802 -0.2981 -0.2981 -0.1635 -0.1635 -0.0604 -0.0604 0.0278 0.0278 0.6828 0.6828 0.7444 0.7444 1.0133 1.0133 1.2412 1.2412 1.6244 1.6244 1.7711 1.7711 1.9028 1.9028 2.1177 2.1177 2.2750 2.2750 2.4207 2.4207 2.6918 2.6918 2.7444 2.7444 3.0592 3.0592 3.1763 3.1763 5.0845 5.0845 5.2109 5.2109 6.6503 6.6503 6.7660 6.7660 7.3028 7.3028 7.5008 7.5008 7.6068 7.6068 7.8898 7.8898 k = 0.0000 0.3589-0.0735 ( 9868 PWs) bands (ev): -12.1085 -12.1085 -12.0156 -12.0156 -9.8083 -9.8083 -9.6626 -9.6626 -9.0782 -9.0782 -9.0390 -9.0390 -8.8573 -8.8573 -8.8080 -8.8080 -5.0551 -5.0551 -4.7188 -4.7188 -3.0893 -3.0893 -3.0282 -3.0282 -2.5268 -2.5268 -2.3345 -2.3345 -1.9313 -1.9313 -1.8763 -1.8763 -1.6025 -1.6025 -1.5509 -1.5509 -1.0511 -1.0511 -1.0045 -1.0045 -0.7814 -0.7814 -0.6866 -0.6866 -0.2923 -0.2923 -0.1812 -0.1812 -0.0650 -0.0650 0.0140 0.0140 0.6849 0.6849 0.7398 0.7398 1.0170 1.0170 1.2200 1.2200 1.6275 1.6275 1.7785 1.7785 1.9152 1.9152 2.0985 2.0985 2.2647 2.2647 2.4169 2.4169 2.6963 2.6963 2.7380 2.7380 3.0622 3.0622 3.1772 3.1772 5.0896 5.0896 5.2068 5.2068 6.6537 6.6537 6.7800 6.7800 7.3203 7.3203 7.5203 7.5203 7.6393 7.6393 7.9140 7.9140 k = 0.0000 0.3768-0.0772 ( 9862 PWs) bands (ev): -12.0981 -12.0981 -12.0259 -12.0259 -9.7922 -9.7922 -9.6814 -9.6814 -9.0741 -9.0741 -9.0390 -9.0390 -8.8604 -8.8604 -8.8096 -8.8096 -5.0156 -5.0156 -4.7563 -4.7563 -3.0867 -3.0867 -3.0258 -3.0258 -2.5172 -2.5172 -2.3399 -2.3399 -1.9356 -1.9356 -1.8797 -1.8797 -1.5957 -1.5957 -1.5524 -1.5524 -1.0370 -1.0370 -0.9982 -0.9982 -0.7757 -0.7757 -0.6951 -0.6951 -0.2845 -0.2845 -0.1988 -0.1988 -0.0673 -0.0673 0.0024 0.0024 0.6871 0.6871 0.7354 0.7354 1.0213 1.0213 1.2013 1.2013 1.6299 1.6299 1.7850 1.7850 1.9278 1.9278 2.0811 2.0811 2.2559 2.2559 2.4141 2.4141 2.6998 2.6998 2.7326 2.7326 3.0654 3.0654 3.1778 3.1778 5.0934 5.0934 5.2035 5.2035 6.6557 6.6557 6.7923 6.7923 7.3350 7.3350 7.5356 7.5356 7.6648 7.6648 7.9401 7.9401 k = 0.0000 0.3948-0.0809 ( 9853 PWs) bands (ev): -12.0881 -12.0881 -12.0360 -12.0360 -9.7758 -9.7758 -9.6997 -9.6997 -9.0708 -9.0708 -9.0392 -9.0392 -8.8627 -8.8627 -8.8107 -8.8107 -4.9773 -4.9773 -4.7932 -4.7932 -3.0849 -3.0849 -3.0242 -3.0242 -2.5093 -2.5093 -2.3448 -2.3448 -1.9392 -1.9392 -1.8817 -1.8817 -1.5901 -1.5901 -1.5540 -1.5540 -1.0245 -1.0245 -0.9958 -0.9958 -0.7685 -0.7685 -0.7046 -0.7046 -0.2747 -0.2747 -0.2158 -0.2158 -0.0680 -0.0680 -0.0066 -0.0066 0.6892 0.6892 0.7316 0.7316 1.0256 1.0256 1.1862 1.1862 1.6316 1.6316 1.7901 1.7901 1.9393 1.9393 2.0664 2.0664 2.2490 2.2490 2.4121 2.4121 2.7024 2.7024 2.7283 2.7283 3.0681 3.0681 3.1782 3.1782 5.0960 5.0960 5.2011 5.2011 6.6569 6.6569 6.8016 6.8016 7.3463 7.3463 7.5465 7.5465 7.6828 7.6828 7.9650 7.9650 k = 0.0000 0.4127-0.0845 ( 9852 PWs) bands (ev): -12.0795 -12.0795 -12.0446 -12.0446 -9.7599 -9.7599 -9.7168 -9.7168 -9.0686 -9.0686 -9.0396 -9.0396 -8.8641 -8.8641 -8.8114 -8.8114 -4.9434 -4.9434 -4.8263 -4.8263 -3.0838 -3.0838 -3.0231 -3.0231 -2.5040 -2.5040 -2.3483 -2.3483 -1.9415 -1.9415 -1.8828 -1.8828 -1.5864 -1.5864 -1.5552 -1.5552 -1.0142 -1.0142 -0.9971 -0.9971 -0.7613 -0.7613 -0.7133 -0.7133 -0.2633 -0.2633 -0.2317 -0.2317 -0.0679 -0.0679 -0.0124 -0.0124 0.6907 0.6907 0.7290 0.7290 1.0289 1.0289 1.1763 1.1763 1.6327 1.6327 1.7933 1.7933 1.9479 1.9479 2.0560 2.0560 2.2447 2.2447 2.4109 2.4109 2.7041 2.7041 2.7254 2.7254 3.0700 3.0700 3.1784 3.1784 5.0976 5.0976 5.1996 5.1996 6.6575 6.6575 6.8075 6.8075 7.3533 7.3533 7.5531 7.5531 7.6934 7.6934 7.9814 7.9814 k = 0.0000 0.4306-0.0882 ( 9848 PWs) bands (ev): -12.0753 -12.0753 -12.0488 -12.0488 -9.7501 -9.7501 -9.7270 -9.7270 -9.0678 -9.0678 -9.0397 -9.0397 -8.8645 -8.8645 -8.8117 -8.8117 -4.9264 -4.9264 -4.8430 -4.8430 -3.0834 -3.0834 -3.0228 -3.0228 -2.5021 -2.5021 -2.3496 -2.3496 -1.9424 -1.9424 -1.8831 -1.8831 -1.5850 -1.5850 -1.5558 -1.5558 -1.0090 -1.0090 -0.9993 -0.9993 -0.7579 -0.7579 -0.7172 -0.7172 -0.2545 -0.2545 -0.2420 -0.2420 -0.0677 -0.0677 -0.0144 -0.0144 0.6913 0.6913 0.7280 0.7280 1.0301 1.0301 1.1728 1.1728 1.6330 1.6330 1.7944 1.7944 1.9511 1.9511 2.0522 2.0522 2.2432 2.2432 2.4105 2.4105 2.7047 2.7047 2.7244 2.7244 3.0706 3.0706 3.1784 3.1784 5.0981 5.0981 5.1991 5.1991 6.6576 6.6576 6.8095 6.8095 7.3557 7.3557 7.5553 7.5553 7.6968 7.6968 7.9861 7.9861 k = 0.5000 0.3361-0.0903 ( 9838 PWs) bands (ev): -12.1432 -12.1432 -11.8810 -11.8810 -9.9966 -9.9966 -9.4216 -9.4216 -9.1733 -9.1733 -9.0760 -9.0760 -9.0671 -9.0671 -8.7656 -8.7656 -5.2772 -5.2772 -4.2230 -4.2230 -3.1993 -3.1993 -3.0801 -3.0801 -2.6867 -2.6867 -2.0837 -2.0837 -1.9048 -1.9048 -1.8864 -1.8864 -1.5561 -1.5561 -1.3883 -1.3883 -1.2372 -1.2372 -1.1732 -1.1732 -0.7595 -0.7595 -0.6836 -0.6836 -0.3266 -0.3266 0.0497 0.0497 0.2063 0.2063 0.4953 0.4953 0.5147 0.5147 0.7571 0.7571 0.8729 0.8729 0.9857 0.9857 1.3234 1.3234 1.6484 1.6484 1.7506 1.7506 2.2372 2.2372 2.4276 2.4276 2.5690 2.5690 2.6634 2.6634 2.9182 2.9182 3.0414 3.0414 3.3113 3.3113 4.7217 4.7217 5.2183 5.2183 6.5133 6.5133 6.7504 6.7504 6.8251 6.8251 7.0251 7.0251 7.5614 7.5614 8.0473 8.0473 k = 0.4848 0.3259-0.0876 ( 9842 PWs) bands (ev): -12.1434 -12.1434 -11.8810 -11.8810 -9.9965 -9.9965 -9.4215 -9.4215 -9.1733 -9.1733 -9.0766 -9.0766 -9.0657 -9.0657 -8.7656 -8.7656 -5.2778 -5.2778 -4.2232 -4.2232 -3.1992 -3.1992 -3.0802 -3.0802 -2.6866 -2.6866 -2.0851 -2.0851 -1.9042 -1.9042 -1.8858 -1.8858 -1.5566 -1.5566 -1.3882 -1.3882 -1.2373 -1.2373 -1.1740 -1.1740 -0.7594 -0.7594 -0.6839 -0.6839 -0.3266 -0.3266 0.0496 0.0496 0.2061 0.2061 0.4944 0.4944 0.5156 0.5156 0.7570 0.7570 0.8724 0.8724 0.9895 0.9895 1.3243 1.3243 1.6485 1.6485 1.7506 1.7506 2.2349 2.2349 2.4292 2.4292 2.5688 2.5688 2.6638 2.6638 2.9173 2.9173 3.0419 3.0419 3.3109 3.3109 4.7220 4.7220 5.2185 5.2185 6.5123 6.5123 6.7422 6.7422 6.8334 6.8334 7.0259 7.0259 7.5598 7.5598 8.0485 8.0485 k = 0.4697 0.3157-0.0849 ( 9836 PWs) bands (ev): -12.1441 -12.1441 -11.8811 -11.8811 -9.9964 -9.9964 -9.4213 -9.4213 -9.1735 -9.1735 -9.0780 -9.0780 -9.0622 -9.0622 -8.7656 -8.7656 -5.2796 -5.2796 -4.2235 -4.2235 -3.1989 -3.1989 -3.0805 -3.0805 -2.6864 -2.6864 -2.0891 -2.0891 -1.9029 -1.9029 -1.8838 -1.8838 -1.5582 -1.5582 -1.3878 -1.3878 -1.2376 -1.2376 -1.1763 -1.1763 -0.7592 -0.7592 -0.6847 -0.6847 -0.3267 -0.3267 0.0496 0.0496 0.2054 0.2054 0.4920 0.4920 0.5180 0.5180 0.7567 0.7567 0.8707 0.8707 1.0009 1.0009 1.3271 1.3271 1.6487 1.6487 1.7505 1.7505 2.2284 2.2284 2.4338 2.4338 2.5682 2.5682 2.6651 2.6651 2.9146 2.9146 3.0435 3.0435 3.3097 3.3097 4.7228 4.7228 5.2190 5.2190 6.5096 6.5096 6.7242 6.7242 6.8518 6.8518 7.0281 7.0281 7.5551 7.5551 8.0521 8.0521 k = 0.4545 0.3055-0.0821 ( 9830 PWs) bands (ev): -12.1451 -12.1451 -11.8812 -11.8812 -9.9962 -9.9962 -9.4210 -9.4210 -9.1738 -9.1738 -9.0794 -9.0794 -9.0571 -9.0571 -8.7655 -8.7655 -5.2826 -5.2826 -4.2241 -4.2241 -3.1984 -3.1984 -3.0808 -3.0808 -2.6860 -2.6860 -2.0954 -2.0954 -1.9015 -1.9015 -1.8800 -1.8800 -1.5608 -1.5608 -1.3872 -1.3872 -1.2382 -1.2382 -1.1801 -1.1801 -0.7589 -0.7589 -0.6861 -0.6861 -0.3269 -0.3269 0.0496 0.0496 0.2043 0.2043 0.4888 0.4888 0.5214 0.5214 0.7561 0.7561 0.8682 0.8682 1.0191 1.0191 1.3316 1.3316 1.6490 1.6490 1.7503 1.7503 2.2182 2.2182 2.4406 2.4406 2.5672 2.5672 2.6672 2.6672 2.9102 2.9102 3.0459 3.0459 3.3077 3.3077 4.7241 4.7241 5.2199 5.2199 6.5050 6.5050 6.7035 6.7035 6.8734 6.8734 7.0316 7.0316 7.5474 7.5474 8.0579 8.0579 k = 0.4394 0.2953-0.0794 ( 9833 PWs) bands (ev): -12.1466 -12.1466 -11.8813 -11.8813 -9.9959 -9.9959 -9.4207 -9.4207 -9.1740 -9.1740 -9.0809 -9.0809 -9.0508 -9.0508 -8.7655 -8.7655 -5.2867 -5.2867 -4.2249 -4.2249 -3.1978 -3.1978 -3.0814 -3.0814 -2.6855 -2.6855 -2.1038 -2.1038 -1.9007 -1.9007 -1.8740 -1.8740 -1.5644 -1.5644 -1.3866 -1.3866 -1.2391 -1.2391 -1.1851 -1.1851 -0.7586 -0.7586 -0.6879 -0.6879 -0.3271 -0.3271 0.0495 0.0495 0.2029 0.2029 0.4853 0.4853 0.5254 0.5254 0.7554 0.7554 0.8651 0.8651 1.0436 1.0436 1.3377 1.3377 1.6494 1.6494 1.7502 1.7502 2.2051 2.2051 2.4489 2.4489 2.5658 2.5658 2.6702 2.6702 2.9043 2.9043 3.0491 3.0491 3.3050 3.3050 4.7260 4.7260 5.2210 5.2210 6.4985 6.4985 6.6830 6.6830 6.8953 6.8953 7.0364 7.0364 7.5368 7.5368 8.0659 8.0659 k = 0.4242 0.2852-0.0766 ( 9842 PWs) bands (ev): -12.1485 -12.1485 -11.8815 -11.8815 -9.9955 -9.9955 -9.4202 -9.4202 -9.1741 -9.1741 -9.0823 -9.0823 -9.0433 -9.0433 -8.7654 -8.7654 -5.2919 -5.2919 -4.2260 -4.2260 -3.1969 -3.1969 -3.0820 -3.0820 -2.6849 -2.6849 -2.1137 -2.1137 -1.9004 -1.9004 -1.8663 -1.8663 -1.5687 -1.5687 -1.3858 -1.3858 -1.2403 -1.2403 -1.1911 -1.1911 -0.7585 -0.7585 -0.6901 -0.6901 -0.3273 -0.3273 0.0495 0.0495 0.2011 0.2011 0.4817 0.4817 0.5299 0.5299 0.7546 0.7546 0.8617 0.8617 1.0736 1.0736 1.3455 1.3455 1.6499 1.6499 1.7502 1.7502 2.1898 2.1898 2.4578 2.4578 2.5641 2.5641 2.6742 2.6742 2.8971 2.8971 3.0528 3.0528 3.3014 3.3014 4.7285 4.7285 5.2222 5.2222 6.4902 6.4902 6.6642 6.6642 6.9165 6.9165 7.0421 7.0421 7.5236 7.5236 8.0759 8.0759 k = 0.4091 0.2750-0.0739 ( 9843 PWs) bands (ev): -12.1507 -12.1507 -11.8817 -11.8817 -9.9950 -9.9950 -9.4196 -9.4196 -9.1741 -9.1741 -9.0837 -9.0837 -9.0348 -9.0348 -8.7654 -8.7654 -5.2982 -5.2982 -4.2273 -4.2273 -3.1960 -3.1960 -3.0828 -3.0828 -2.6841 -2.6841 -2.1248 -2.1248 -1.9006 -1.9006 -1.8572 -1.8572 -1.5739 -1.5739 -1.3851 -1.3851 -1.2421 -1.2421 -1.1978 -1.1978 -0.7586 -0.7586 -0.6926 -0.6926 -0.3274 -0.3274 0.0496 0.0496 0.1992 0.1992 0.4783 0.4783 0.5349 0.5349 0.7537 0.7537 0.8580 0.8580 1.1083 1.1083 1.3547 1.3547 1.6505 1.6505 1.7505 1.7505 2.1728 2.1728 2.4666 2.4666 2.5620 2.5620 2.6793 2.6793 2.8889 2.8889 3.0570 3.0570 3.2972 3.2972 4.7314 4.7314 5.2235 5.2235 6.4802 6.4802 6.6476 6.6476 6.9361 6.9361 7.0488 7.0488 7.5082 7.5082 8.0875 8.0875 k = 0.3939 0.2648-0.0712 ( 9847 PWs) bands (ev): -12.1533 -12.1533 -11.8820 -11.8820 -9.9944 -9.9944 -9.4190 -9.4190 -9.1738 -9.1738 -9.0852 -9.0852 -9.0253 -9.0253 -8.7654 -8.7654 -5.3056 -5.3056 -4.2288 -4.2288 -3.1948 -3.1948 -3.0838 -3.0838 -2.6831 -2.6831 -2.1369 -2.1369 -1.9012 -1.9012 -1.8472 -1.8472 -1.5797 -1.5797 -1.3846 -1.3846 -1.2446 -1.2446 -1.2046 -1.2046 -0.7591 -0.7591 -0.6953 -0.6953 -0.3274 -0.3274 0.0497 0.0497 0.1972 0.1972 0.4754 0.4754 0.5402 0.5402 0.7528 0.7528 0.8542 0.8542 1.1470 1.1470 1.3654 1.3654 1.6511 1.6511 1.7511 1.7511 2.1546 2.1546 2.4747 2.4747 2.5595 2.5595 2.6856 2.6856 2.8798 2.8798 3.0615 3.0615 3.2923 3.2923 4.7348 4.7348 5.2247 5.2247 6.4690 6.4690 6.6336 6.6336 6.9540 6.9540 7.0559 7.0559 7.4909 7.4909 8.1003 8.1003 k = 0.3788 0.2546-0.0684 ( 9856 PWs) bands (ev): -12.1562 -12.1562 -11.8823 -11.8823 -9.9938 -9.9938 -9.4183 -9.4183 -9.1733 -9.1733 -9.0867 -9.0867 -9.0149 -9.0149 -8.7654 -8.7654 -5.3139 -5.3139 -4.2305 -4.2305 -3.1935 -3.1935 -3.0848 -3.0848 -2.6820 -2.6820 -2.1497 -2.1497 -1.9019 -1.9019 -1.8367 -1.8367 -1.5859 -1.5859 -1.3844 -1.3844 -1.2481 -1.2481 -1.2110 -1.2110 -0.7601 -0.7601 -0.6983 -0.6983 -0.3274 -0.3274 0.0500 0.0500 0.1952 0.1952 0.4729 0.4729 0.5457 0.5457 0.7519 0.7519 0.8504 0.8504 1.1887 1.1887 1.3776 1.3776 1.6516 1.6516 1.7522 1.7522 2.1358 2.1358 2.4817 2.4817 2.5567 2.5567 2.6929 2.6929 2.8700 2.8700 3.0661 3.0661 3.2868 3.2868 4.7386 4.7386 5.2258 5.2258 6.4569 6.4569 6.6223 6.6223 6.9698 6.9698 7.0632 7.0632 7.4720 7.4720 8.1137 8.1137 k = 0.3636 0.2444-0.0657 ( 9859 PWs) bands (ev): -12.1594 -12.1594 -11.8826 -11.8826 -9.9931 -9.9931 -9.4175 -9.4175 -9.1724 -9.1724 -9.0882 -9.0882 -9.0037 -9.0037 -8.7655 -8.7655 -5.3231 -5.3231 -4.2324 -4.2324 -3.1921 -3.1921 -3.0859 -3.0859 -2.6807 -2.6807 -2.1630 -2.1630 -1.9028 -1.9028 -1.8259 -1.8259 -1.5927 -1.5927 -1.3845 -1.3845 -1.2528 -1.2528 -1.2164 -1.2164 -0.7617 -0.7617 -0.7013 -0.7013 -0.3272 -0.3272 0.0503 0.0503 0.1932 0.1932 0.4711 0.4711 0.5514 0.5514 0.7510 0.7510 0.8468 0.8468 1.2325 1.2325 1.3915 1.3915 1.6521 1.6521 1.7538 1.7538 2.1167 2.1167 2.4872 2.4872 2.5537 2.5537 2.7011 2.7011 2.8598 2.8598 3.0709 3.0709 3.2808 3.2808 4.7429 4.7429 5.2266 5.2266 6.4447 6.4447 6.6136 6.6136 6.9833 6.9833 7.0704 7.0704 7.4521 7.4521 8.1265 8.1265 k = 0.3485 0.2342-0.0630 ( 9864 PWs) bands (ev): -12.1629 -12.1629 -11.8829 -11.8829 -9.9923 -9.9923 -9.4167 -9.4167 -9.1712 -9.1712 -9.0897 -9.0897 -8.9918 -8.9918 -8.7656 -8.7656 -5.3332 -5.3332 -4.2345 -4.2345 -3.1906 -3.1906 -3.0871 -3.0871 -2.6792 -2.6792 -2.1765 -2.1765 -1.9037 -1.9037 -1.8152 -1.8152 -1.5997 -1.5997 -1.3851 -1.3851 -1.2587 -1.2587 -1.2206 -1.2206 -0.7638 -0.7638 -0.7044 -0.7044 -0.3269 -0.3269 0.0507 0.0507 0.1913 0.1913 0.4699 0.4699 0.5571 0.5571 0.7503 0.7503 0.8434 0.8434 1.2769 1.2769 1.4075 1.4075 1.6525 1.6525 1.7561 1.7561 2.0979 2.0979 2.4909 2.4909 2.5504 2.5504 2.7100 2.7100 2.8494 2.8494 3.0758 3.0758 3.2744 3.2744 4.7475 4.7475 5.2271 5.2271 6.4329 6.4329 6.6071 6.6071 6.9946 6.9946 7.0770 7.0770 7.4314 7.4314 8.1370 8.1370 k = 0.3333 0.2241-0.0602 ( 9867 PWs) bands (ev): -12.1665 -12.1665 -11.8833 -11.8833 -9.9915 -9.9915 -9.4159 -9.4159 -9.1697 -9.1697 -9.0912 -9.0912 -8.9794 -8.9794 -8.7657 -8.7657 -5.3440 -5.3440 -4.2367 -4.2367 -3.1891 -3.1891 -3.0883 -3.0883 -2.6775 -2.6775 -2.1902 -2.1902 -1.9047 -1.9047 -1.8049 -1.8049 -1.6069 -1.6069 -1.3864 -1.3864 -1.2654 -1.2654 -1.2235 -1.2235 -0.7665 -0.7665 -0.7075 -0.7075 -0.3266 -0.3266 0.0512 0.0512 0.1895 0.1895 0.4693 0.4693 0.5627 0.5627 0.7497 0.7497 0.8403 0.8403 1.3200 1.3200 1.4266 1.4266 1.6529 1.6529 1.7590 1.7590 2.0800 2.0800 2.4927 2.4927 2.5468 2.5468 2.7190 2.7190 2.8391 2.8391 3.0807 3.0807 3.2678 3.2678 4.7525 4.7525 5.2274 5.2274 6.4220 6.4220 6.6026 6.6026 7.0037 7.0037 7.0825 7.0825 7.4105 7.4105 8.1418 8.1418 k = 0.3182 0.2139-0.0575 ( 9860 PWs) bands (ev): -12.1704 -12.1704 -11.8837 -11.8837 -9.9906 -9.9906 -9.4150 -9.4150 -9.1680 -9.1680 -9.0926 -9.0926 -8.9665 -8.9665 -8.7659 -8.7659 -5.3555 -5.3555 -4.2392 -4.2392 -3.1875 -3.1875 -3.0896 -3.0896 -2.6756 -2.6756 -2.2039 -2.2039 -1.9057 -1.9057 -1.7951 -1.7951 -1.6144 -1.6144 -1.3883 -1.3883 -1.2720 -1.2720 -1.2255 -1.2255 -0.7697 -0.7697 -0.7106 -0.7106 -0.3262 -0.3262 0.0518 0.0518 0.1878 0.1878 0.4694 0.4694 0.5682 0.5682 0.7492 0.7492 0.8377 0.8377 1.3590 1.3590 1.4507 1.4507 1.6531 1.6531 1.7625 1.7625 2.0639 2.0639 2.4925 2.4925 2.5431 2.5431 2.7275 2.7275 2.8296 2.8296 3.0856 3.0856 3.2612 3.2612 4.7578 4.7578 5.2273 5.2273 6.4125 6.4125 6.5999 6.5999 7.0106 7.0106 7.0865 7.0865 7.3896 7.3896 8.1371 8.1371 k = 0.3030 0.2037-0.0547 ( 9864 PWs) bands (ev): -12.1745 -12.1745 -11.8841 -11.8841 -9.9897 -9.9897 -9.4141 -9.4141 -9.1660 -9.1660 -9.0940 -9.0940 -8.9532 -8.9532 -8.7662 -8.7662 -5.3676 -5.3676 -4.2417 -4.2417 -3.1858 -3.1858 -3.0909 -3.0909 -2.6736 -2.6736 -2.2173 -2.2173 -1.9067 -1.9067 -1.7862 -1.7862 -1.6219 -1.6219 -1.3910 -1.3910 -1.2782 -1.2782 -1.2268 -1.2268 -0.7733 -0.7733 -0.7137 -0.7137 -0.3258 -0.3258 0.0525 0.0525 0.1863 0.1863 0.4701 0.4701 0.5733 0.5733 0.7488 0.7488 0.8356 0.8356 1.3911 1.3911 1.4810 1.4810 1.6531 1.6531 1.7666 1.7666 2.0505 2.0505 2.4904 2.4904 2.5392 2.5392 2.7344 2.7344 2.8215 2.8215 3.0904 3.0904 3.2547 3.2547 4.7633 4.7633 5.2271 5.2271 6.4044 6.4044 6.5987 6.5987 7.0155 7.0155 7.0887 7.0887 7.3690 7.3690 8.1225 8.1225 k = 0.2879 0.1935-0.0520 ( 9857 PWs) bands (ev): -12.1786 -12.1786 -11.8845 -11.8845 -9.9887 -9.9887 -9.4132 -9.4132 -9.1638 -9.1638 -9.0952 -9.0952 -8.9397 -8.9397 -8.7666 -8.7666 -5.3801 -5.3801 -4.2444 -4.2444 -3.1842 -3.1842 -3.0921 -3.0921 -2.6713 -2.6713 -2.2306 -2.2306 -1.9077 -1.9077 -1.7784 -1.7784 -1.6296 -1.6296 -1.3942 -1.3942 -1.2833 -1.2833 -1.2275 -1.2275 -0.7772 -0.7772 -0.7168 -0.7168 -0.3255 -0.3255 0.0533 0.0533 0.1849 0.1849 0.4714 0.4714 0.5782 0.5782 0.7485 0.7485 0.8342 0.8342 1.4164 1.4164 1.5164 1.5164 1.6529 1.6529 1.7711 1.7711 2.0411 2.0411 2.4864 2.4864 2.5350 2.5350 2.7385 2.7385 2.8158 2.8158 3.0951 3.0951 3.2487 3.2487 4.7689 4.7689 5.2268 5.2268 6.3980 6.3980 6.5990 6.5990 7.0183 7.0183 7.0888 7.0888 7.3490 7.3490 8.0997 8.0997 k = 0.2727 0.1833-0.0493 ( 9851 PWs) bands (ev): -12.1829 -12.1829 -11.8849 -11.8849 -9.9877 -9.9877 -9.4124 -9.4124 -9.1615 -9.1615 -9.0962 -9.0962 -8.9260 -8.9260 -8.7670 -8.7670 -5.3930 -5.3930 -4.2471 -4.2471 -3.1826 -3.1826 -3.0933 -3.0933 -2.6689 -2.6689 -2.2434 -2.2434 -1.9086 -1.9086 -1.7720 -1.7720 -1.6375 -1.6375 -1.3977 -1.3977 -1.2871 -1.2871 -1.2277 -1.2277 -0.7813 -0.7813 -0.7199 -0.7199 -0.3253 -0.3253 0.0541 0.0541 0.1837 0.1837 0.4732 0.4732 0.5825 0.5825 0.7485 0.7485 0.8334 0.8334 1.4368 1.4368 1.5527 1.5527 1.6524 1.6524 1.7760 1.7760 2.0374 2.0374 2.4806 2.4806 2.5305 2.5305 2.7388 2.7388 2.8132 2.8132 3.0997 3.0997 3.2433 3.2433 4.7747 4.7747 5.2265 5.2265 6.3933 6.3933 6.6007 6.6007 7.0192 7.0192 7.0868 7.0868 7.3296 7.3296 8.0694 8.0694 k = 0.2576 0.1731-0.0465 ( 9857 PWs) bands (ev): -12.1871 -12.1871 -11.8854 -11.8854 -9.9867 -9.9867 -9.4115 -9.4115 -9.1592 -9.1592 -9.0970 -9.0970 -8.9122 -8.9122 -8.7675 -8.7675 -5.4061 -5.4061 -4.2499 -4.2499 -3.1811 -3.1811 -3.0945 -3.0945 -2.6662 -2.6662 -2.2558 -2.2558 -1.9094 -1.9094 -1.7672 -1.7672 -1.6455 -1.6455 -1.4013 -1.4013 -1.2896 -1.2896 -1.2275 -1.2275 -0.7856 -0.7856 -0.7231 -0.7231 -0.3253 -0.3253 0.0549 0.0549 0.1825 0.1825 0.4756 0.4756 0.5864 0.5864 0.7486 0.7486 0.8333 0.8333 1.4543 1.4543 1.5860 1.5860 1.6521 1.6521 1.7813 1.7813 2.0408 2.0408 2.4730 2.4730 2.5257 2.5257 2.7353 2.7353 2.8135 2.8135 3.1041 3.1041 3.2388 3.2388 4.7804 4.7804 5.2266 5.2266 6.3901 6.3901 6.6035 6.6035 7.0182 7.0182 7.0828 7.0828 7.3108 7.3108 8.0329 8.0329 k = 0.2424 0.1629-0.0438 ( 9859 PWs) bands (ev): -12.1914 -12.1914 -11.8858 -11.8858 -9.9857 -9.9857 -9.4106 -9.4106 -9.1569 -9.1569 -9.0976 -9.0976 -8.8985 -8.8985 -8.7681 -8.7681 -5.4194 -5.4194 -4.2527 -4.2527 -3.1797 -3.1797 -3.0955 -3.0955 -2.6635 -2.6635 -2.2677 -2.2677 -1.9103 -1.9103 -1.7640 -1.7640 -1.6540 -1.6540 -1.4045 -1.4045 -1.2908 -1.2908 -1.2268 -1.2268 -0.7899 -0.7899 -0.7263 -0.7263 -0.3256 -0.3256 0.0557 0.0557 0.1815 0.1815 0.4784 0.4784 0.5897 0.5897 0.7489 0.7489 0.8338 0.8338 1.4697 1.4697 1.6123 1.6123 1.6530 1.6530 1.7873 1.7873 2.0526 2.0526 2.4639 2.4639 2.5205 2.5205 2.7291 2.7291 2.8155 2.8155 3.1085 3.1085 3.2354 3.2354 4.7861 4.7861 5.2272 5.2272 6.3883 6.3883 6.6074 6.6074 7.0151 7.0151 7.0771 7.0771 7.2925 7.2925 7.9923 7.9923 k = 0.2273 0.1528-0.0411 ( 9853 PWs) bands (ev): -12.1957 -12.1957 -11.8863 -11.8863 -9.9847 -9.9847 -9.4098 -9.4098 -9.1548 -9.1548 -9.0978 -9.0978 -8.8849 -8.8849 -8.7687 -8.7687 -5.4327 -5.4327 -4.2556 -4.2556 -3.1784 -3.1784 -3.0964 -3.0964 -2.6605 -2.6605 -2.2790 -2.2790 -1.9110 -1.9110 -1.7624 -1.7624 -1.6629 -1.6629 -1.4070 -1.4070 -1.2906 -1.2906 -1.2256 -1.2256 -0.7942 -0.7942 -0.7296 -0.7296 -0.3263 -0.3263 0.0565 0.0565 0.1806 0.1806 0.4816 0.4816 0.5924 0.5924 0.7495 0.7495 0.8351 0.8351 1.4827 1.4827 1.6267 1.6267 1.6592 1.6592 1.7945 1.7945 2.0728 2.0728 2.4532 2.4532 2.5149 2.5149 2.7213 2.7213 2.8179 2.8179 3.1127 3.1127 3.2332 3.2332 4.7917 4.7917 5.2284 5.2284 6.3878 6.3878 6.6124 6.6124 7.0100 7.0100 7.0701 7.0701 7.2746 7.2746 7.9491 7.9491 k = 0.2121 0.1426-0.0383 ( 9852 PWs) bands (ev): -12.1998 -12.1998 -11.8867 -11.8867 -9.9836 -9.9836 -9.4089 -9.4089 -9.1528 -9.1528 -9.0977 -9.0977 -8.8716 -8.8716 -8.7694 -8.7694 -5.4459 -5.4459 -4.2584 -4.2584 -3.1773 -3.1773 -3.0972 -3.0972 -2.6575 -2.6575 -2.2896 -2.2896 -1.9116 -1.9116 -1.7624 -1.7624 -1.6723 -1.6723 -1.4086 -1.4086 -1.2894 -1.2894 -1.2239 -1.2239 -0.7984 -0.7984 -0.7328 -0.7328 -0.3273 -0.3273 0.0572 0.0572 0.1797 0.1797 0.4852 0.4852 0.5945 0.5945 0.7504 0.7504 0.8369 0.8369 1.4929 1.4929 1.6295 1.6295 1.6708 1.6708 1.8036 1.8036 2.1006 2.1006 2.4411 2.4411 2.5091 2.5091 2.7129 2.7129 2.8197 2.8197 3.1168 3.1168 3.2323 3.2323 4.7969 4.7969 5.2306 5.2306 6.3883 6.3883 6.6182 6.6182 7.0030 7.0030 7.0623 7.0623 7.2568 7.2568 7.9046 7.9046 k = 0.1970 0.1324-0.0356 ( 9859 PWs) bands (ev): -12.2039 -12.2039 -11.8871 -11.8871 -9.9826 -9.9826 -9.4081 -9.4081 -9.1510 -9.1510 -9.0972 -9.0972 -8.8587 -8.8587 -8.7701 -8.7701 -5.4589 -5.4589 -4.2612 -4.2612 -3.1764 -3.1764 -3.0979 -3.0979 -2.6543 -2.6543 -2.2994 -2.2994 -1.9122 -1.9122 -1.7638 -1.7638 -1.6822 -1.6822 -1.4093 -1.4093 -1.2873 -1.2873 -1.2216 -1.2216 -0.8025 -0.8025 -0.7359 -0.7359 -0.3288 -0.3288 0.0580 0.0580 0.1789 0.1789 0.4891 0.4891 0.5960 0.5960 0.7516 0.7516 0.8393 0.8393 1.4991 1.4991 1.6285 1.6285 1.6823 1.6823 1.8146 1.8146 2.1340 2.1340 2.4278 2.4278 2.5031 2.5031 2.7045 2.7045 2.8203 2.8203 3.1209 3.1209 3.2326 3.2326 4.8019 4.8019 5.2337 5.2337 6.3897 6.3897 6.6249 6.6249 6.9940 6.9940 7.0540 7.0540 7.2391 7.2391 7.8598 7.8598 k = 0.1818 0.1222-0.0328 ( 9858 PWs) bands (ev): -12.2078 -12.2078 -11.8875 -11.8875 -9.9817 -9.9817 -9.4073 -9.4073 -9.1496 -9.1496 -9.0964 -9.0964 -8.8462 -8.8462 -8.7709 -8.7709 -5.4715 -5.4715 -4.2638 -4.2638 -3.1757 -3.1757 -3.0984 -3.0984 -2.6511 -2.6511 -2.3086 -2.3086 -1.9127 -1.9127 -1.7664 -1.7664 -1.6925 -1.6925 -1.4093 -1.4093 -1.2845 -1.2845 -1.2185 -1.2185 -0.8065 -0.8065 -0.7391 -0.7391 -0.3306 -0.3306 0.0587 0.0587 0.1782 0.1782 0.4932 0.4932 0.5970 0.5970 0.7531 0.7531 0.8423 0.8423 1.5002 1.5002 1.6280 1.6280 1.6921 1.6921 1.8275 1.8275 2.1706 2.1706 2.4134 2.4134 2.4972 2.4972 2.6965 2.6965 2.8196 2.8196 3.1250 3.1250 3.2339 3.2339 4.8065 4.8065 5.2380 5.2380 6.3917 6.3917 6.6322 6.6322 6.9833 6.9833 7.0456 7.0456 7.2212 7.2212 7.8154 7.8154 k = 0.1667 0.1120-0.0301 ( 9864 PWs) bands (ev): -12.2115 -12.2115 -11.8879 -11.8879 -9.9807 -9.9807 -9.4066 -9.4066 -9.1484 -9.1484 -9.0952 -9.0952 -8.8344 -8.8344 -8.7716 -8.7716 -5.4837 -5.4837 -4.2664 -4.2664 -3.1751 -3.1751 -3.0987 -3.0987 -2.6479 -2.6479 -2.3169 -2.3169 -1.9130 -1.9130 -1.7702 -1.7702 -1.7030 -1.7030 -1.4086 -1.4086 -1.2812 -1.2812 -1.2145 -1.2145 -0.8102 -0.8102 -0.7421 -0.7421 -0.3329 -0.3329 0.0593 0.0593 0.1776 0.1776 0.4975 0.4975 0.5974 0.5974 0.7549 0.7549 0.8456 0.8456 1.4956 1.4956 1.6294 1.6294 1.7010 1.7010 1.8421 1.8421 2.2078 2.2078 2.3985 2.3985 2.4917 2.4917 2.6891 2.6891 2.8176 2.8176 3.1292 3.1292 3.2360 3.2360 4.8106 4.8106 5.2433 5.2433 6.3943 6.3943 6.6402 6.6402 6.9713 6.9713 7.0374 7.0374 7.2032 7.2032 7.7721 7.7721 k = 0.1515 0.1018-0.0274 ( 9862 PWs) bands (ev): -12.2150 -12.2150 -11.8883 -11.8883 -9.9798 -9.9798 -9.4059 -9.4059 -9.1475 -9.1475 -9.0938 -9.0938 -8.8232 -8.8232 -8.7723 -8.7723 -5.4952 -5.4952 -4.2688 -4.2688 -3.1747 -3.1747 -3.0989 -3.0989 -2.6447 -2.6447 -2.3245 -2.3245 -1.9133 -1.9133 -1.7748 -1.7748 -1.7133 -1.7133 -1.4076 -1.4076 -1.2778 -1.2778 -1.2097 -1.2097 -0.8138 -0.8138 -0.7451 -0.7451 -0.3356 -0.3356 0.0599 0.0599 0.1770 0.1770 0.5018 0.5018 0.5974 0.5974 0.7570 0.7570 0.8493 0.8493 1.4860 1.4860 1.6329 1.6329 1.7096 1.7096 1.8583 1.8583 2.2422 2.2422 2.3842 2.3842 2.4875 2.4875 2.6825 2.6825 2.8144 2.8144 3.1333 3.1333 3.2388 3.2388 4.8144 4.8144 5.2495 5.2495 6.3972 6.3972 6.6486 6.6486 6.9582 6.9582 7.0294 7.0294 7.1850 7.1850 7.7306 7.7306 k = 0.1364 0.0917-0.0246 ( 9859 PWs) bands (ev): -12.2182 -12.2182 -11.8886 -11.8886 -9.9790 -9.9790 -9.4052 -9.4052 -9.1468 -9.1468 -9.0922 -9.0922 -8.8129 -8.8129 -8.7729 -8.7729 -5.5061 -5.5061 -4.2711 -4.2711 -3.1745 -3.1745 -3.0990 -3.0990 -2.6416 -2.6416 -2.3312 -2.3312 -1.9135 -1.9135 -1.7803 -1.7803 -1.7231 -1.7231 -1.4063 -1.4063 -1.2744 -1.2744 -1.2040 -1.2040 -0.8172 -0.8172 -0.7479 -0.7479 -0.3386 -0.3386 0.0604 0.0604 0.1765 0.1765 0.5062 0.5062 0.5970 0.5970 0.7593 0.7593 0.8532 0.8532 1.4729 1.4729 1.6374 1.6374 1.7184 1.7184 1.8758 1.8758 2.2691 2.2691 2.3730 2.3730 2.4854 2.4854 2.6766 2.6766 2.8104 2.8104 3.1374 3.1374 3.2419 3.2419 4.8177 4.8177 5.2567 5.2567 6.4003 6.4003 6.6574 6.6574 6.9446 6.9446 7.0218 7.0218 7.1668 7.1668 7.6914 7.6914 k = 0.1212 0.0815-0.0219 ( 9862 PWs) bands (ev): -12.2212 -12.2212 -11.8889 -11.8889 -9.9782 -9.9782 -9.4046 -9.4046 -9.1464 -9.1464 -9.0905 -9.0905 -8.8036 -8.8036 -8.7733 -8.7733 -5.5161 -5.5161 -4.2732 -4.2732 -3.1744 -3.1744 -3.0989 -3.0989 -2.6386 -2.6386 -2.3372 -2.3372 -1.9135 -1.9135 -1.7864 -1.7864 -1.7320 -1.7320 -1.4050 -1.4050 -1.2712 -1.2712 -1.1975 -1.1975 -0.8203 -0.8203 -0.7506 -0.7506 -0.3418 -0.3418 0.0609 0.0609 0.1761 0.1761 0.5105 0.5105 0.5964 0.5964 0.7617 0.7617 0.8573 0.8573 1.4577 1.4577 1.6422 1.6422 1.7276 1.7276 1.8948 1.8948 2.2816 2.2816 2.3695 2.3695 2.4871 2.4871 2.6716 2.6716 2.8058 2.8058 3.1414 3.1414 3.2452 3.2452 4.8205 4.8205 5.2644 5.2644 6.4035 6.4035 6.6664 6.6664 6.9307 6.9307 7.0146 7.0146 7.1488 7.1488 7.6552 7.6552 k = 0.1061 0.0713-0.0192 ( 9862 PWs) bands (ev): -12.2239 -12.2239 -11.8892 -11.8892 -9.9775 -9.9775 -9.4041 -9.4041 -9.1461 -9.1461 -9.0888 -9.0888 -8.7954 -8.7954 -8.7735 -8.7735 -5.5253 -5.5253 -4.2751 -4.2751 -3.1744 -3.1744 -3.0988 -3.0988 -2.6359 -2.6359 -2.3424 -2.3424 -1.9135 -1.9135 -1.7930 -1.7930 -1.7399 -1.7399 -1.4038 -1.4038 -1.2684 -1.2684 -1.1905 -1.1905 -0.8231 -0.8231 -0.7531 -0.7531 -0.3451 -0.3451 0.0613 0.0613 0.1757 0.1757 0.5146 0.5146 0.5956 0.5956 0.7641 0.7641 0.8614 0.8614 1.4417 1.4417 1.6466 1.6466 1.7368 1.7368 1.9152 1.9152 2.2771 2.2771 2.3740 2.3740 2.4942 2.4942 2.6674 2.6674 2.8009 2.8009 3.1451 3.1451 3.2484 3.2484 4.8230 4.8230 5.2723 5.2723 6.4067 6.4067 6.6754 6.6754 6.9170 6.9170 7.0080 7.0080 7.1313 7.1313 7.6223 7.6223 k = 0.0909 0.0611-0.0164 ( 9858 PWs) bands (ev): -12.2263 -12.2263 -11.8895 -11.8895 -9.9769 -9.9769 -9.4036 -9.4036 -9.1460 -9.1460 -9.0871 -9.0871 -8.7888 -8.7888 -8.7730 -8.7730 -5.5334 -5.5334 -4.2768 -4.2768 -3.1745 -3.1745 -3.0987 -3.0987 -2.6333 -2.6333 -2.3468 -2.3468 -1.9134 -1.9134 -1.7998 -1.7998 -1.7466 -1.7466 -1.4028 -1.4028 -1.2660 -1.2660 -1.1832 -1.1832 -0.8257 -0.8257 -0.7553 -0.7553 -0.3484 -0.3484 0.0617 0.0617 0.1754 0.1754 0.5184 0.5184 0.5946 0.5946 0.7665 0.7665 0.8654 0.8654 1.4260 1.4260 1.6504 1.6504 1.7458 1.7458 1.9367 1.9367 2.2619 2.2619 2.3795 2.3795 2.5069 2.5069 2.6642 2.6642 2.7959 2.7959 3.1485 3.1485 3.2515 3.2515 4.8251 4.8251 5.2803 5.2803 6.4097 6.4097 6.6843 6.6843 6.9039 6.9039 7.0021 7.0021 7.1147 7.1147 7.5932 7.5932 k = 0.0758 0.0509-0.0137 ( 9858 PWs) bands (ev): -12.2284 -12.2284 -11.8897 -11.8897 -9.9764 -9.9764 -9.4032 -9.4032 -9.1459 -9.1459 -9.0855 -9.0855 -8.7843 -8.7843 -8.7715 -8.7715 -5.5404 -5.5404 -4.2782 -4.2782 -3.1746 -3.1746 -3.0985 -3.0985 -2.6311 -2.6311 -2.3504 -2.3504 -1.9132 -1.9132 -1.8064 -1.8064 -1.7520 -1.7520 -1.4019 -1.4019 -1.2641 -1.2641 -1.1762 -1.1762 -0.8280 -0.8280 -0.7573 -0.7573 -0.3515 -0.3515 0.0619 0.0619 0.1752 0.1752 0.5219 0.5219 0.5936 0.5936 0.7687 0.7687 0.8692 0.8692 1.4114 1.4114 1.6535 1.6535 1.7542 1.7542 1.9593 1.9593 2.2419 2.2419 2.3821 2.3821 2.5230 2.5230 2.6618 2.6618 2.7911 2.7911 3.1516 3.1516 3.2542 3.2542 4.8268 4.8268 5.2878 5.2878 6.4124 6.4124 6.6928 6.6928 6.8918 6.8918 6.9968 6.9968 7.0995 7.0995 7.5682 7.5682 k = 0.0606 0.0407-0.0109 ( 9868 PWs) bands (ev): -12.2301 -12.2301 -11.8899 -11.8899 -9.9759 -9.9759 -9.4028 -9.4028 -9.1459 -9.1459 -9.0842 -9.0842 -8.7820 -8.7820 -8.7688 -8.7688 -5.5463 -5.5463 -4.2794 -4.2794 -3.1747 -3.1747 -3.0983 -3.0983 -2.6292 -2.6292 -2.3534 -2.3534 -1.9129 -1.9129 -1.8124 -1.8124 -1.7564 -1.7564 -1.4012 -1.4012 -1.2626 -1.2626 -1.1697 -1.1697 -0.8299 -0.8299 -0.7591 -0.7591 -0.3543 -0.3543 0.0622 0.0622 0.1751 0.1751 0.5249 0.5249 0.5927 0.5927 0.7707 0.7707 0.8726 0.8726 1.3985 1.3985 1.6559 1.6559 1.7615 1.7615 1.9825 1.9825 2.2197 2.2197 2.3821 2.3821 2.5396 2.5396 2.6604 2.6604 2.7868 2.7868 3.1542 3.1542 3.2565 3.2565 4.8282 4.8282 5.2946 5.2946 6.4149 6.4149 6.7006 6.7006 6.8811 6.8811 6.9922 6.9922 7.0861 7.0861 7.5476 7.5476 k = 0.0455 0.0306-0.0082 ( 9874 PWs) bands (ev): -12.2314 -12.2314 -11.8900 -11.8900 -9.9756 -9.9756 -9.4025 -9.4025 -9.1459 -9.1459 -9.0831 -9.0831 -8.7811 -8.7811 -8.7657 -8.7657 -5.5509 -5.5509 -4.2804 -4.2804 -3.1749 -3.1749 -3.0981 -3.0981 -2.6276 -2.6276 -2.3556 -2.3556 -1.9127 -1.9127 -1.8175 -1.8175 -1.7597 -1.7597 -1.4006 -1.4006 -1.2614 -1.2614 -1.1643 -1.1643 -0.8315 -0.8315 -0.7604 -0.7604 -0.3567 -0.3567 0.0624 0.0624 0.1749 0.1749 0.5273 0.5273 0.5919 0.5919 0.7724 0.7724 0.8754 0.8754 1.3878 1.3878 1.6576 1.6576 1.7675 1.7675 2.0056 2.0056 2.1970 2.1970 2.3809 2.3809 2.5542 2.5542 2.6599 2.6599 2.7830 2.7830 3.1563 3.1563 3.2584 3.2584 4.8293 4.8293 5.3003 5.3003 6.4168 6.4168 6.7073 6.7073 6.8721 6.8721 6.9884 6.9884 7.0751 7.0751 7.5314 7.5314 k = 0.0303 0.0204-0.0055 ( 9874 PWs) bands (ev): -12.2324 -12.2324 -11.8901 -11.8901 -9.9753 -9.9753 -9.4023 -9.4023 -9.1459 -9.1459 -9.0823 -9.0823 -8.7807 -8.7807 -8.7632 -8.7632 -5.5542 -5.5542 -4.2811 -4.2811 -3.1750 -3.1750 -3.0980 -3.0980 -2.6265 -2.6265 -2.3572 -2.3572 -1.9124 -1.9124 -1.8213 -1.8213 -1.7620 -1.7620 -1.4003 -1.4003 -1.2606 -1.2606 -1.1601 -1.1601 -0.8327 -0.8327 -0.7615 -0.7615 -0.3585 -0.3585 0.0625 0.0625 0.1749 0.1749 0.5292 0.5292 0.5913 0.5913 0.7736 0.7736 0.8776 0.8776 1.3799 1.3799 1.6589 1.6589 1.7719 1.7719 2.0273 2.0273 2.1754 2.1754 2.3793 2.3793 2.5652 2.5652 2.6600 2.6600 2.7801 2.7801 3.1578 3.1578 3.2597 3.2597 4.8300 4.8300 5.3046 5.3046 6.4183 6.4183 6.7126 6.7126 6.8652 6.8652 6.9856 6.9856 7.0669 7.0669 7.5197 7.5197 k = 0.0152 0.0102-0.0027 ( 9874 PWs) bands (ev): -12.2330 -12.2330 -11.8902 -11.8902 -9.9752 -9.9752 -9.4022 -9.4022 -9.1460 -9.1460 -9.0818 -9.0818 -8.7806 -8.7806 -8.7616 -8.7616 -5.5562 -5.5562 -4.2815 -4.2815 -3.1751 -3.1751 -3.0979 -3.0979 -2.6258 -2.6258 -2.3581 -2.3581 -1.9123 -1.9123 -1.8237 -1.8237 -1.7634 -1.7634 -1.4001 -1.4001 -1.2602 -1.2602 -1.1575 -1.1575 -0.8334 -0.8334 -0.7621 -0.7621 -0.3596 -0.3596 0.0626 0.0626 0.1748 0.1748 0.5303 0.5303 0.5908 0.5908 0.7744 0.7744 0.8789 0.8789 1.3750 1.3750 1.6596 1.6596 1.7747 1.7747 2.0447 2.0447 2.1581 2.1581 2.3782 2.3782 2.5720 2.5720 2.6603 2.6603 2.7783 2.7783 3.1587 3.1587 3.2605 3.2605 4.8305 4.8305 5.3073 5.3073 6.4192 6.4192 6.7160 6.7160 6.8610 6.8610 6.9838 6.9838 7.0619 7.0619 7.5127 7.5127 k = 0.0000 0.0000 0.0000 ( 9883 PWs) bands (ev): -12.2332 -12.2332 -11.8902 -11.8902 -9.9751 -9.9751 -9.4022 -9.4022 -9.1460 -9.1460 -9.0816 -9.0816 -8.7806 -8.7806 -8.7610 -8.7610 -5.5569 -5.5569 -4.2816 -4.2816 -3.1751 -3.1751 -3.0978 -3.0978 -2.6256 -2.6256 -2.3585 -2.3585 -1.9122 -1.9122 -1.8246 -1.8246 -1.7638 -1.7638 -1.4000 -1.4000 -1.2600 -1.2600 -1.1566 -1.1566 -0.8336 -0.8336 -0.7623 -0.7623 -0.3599 -0.3599 0.0626 0.0626 0.1748 0.1748 0.5307 0.5307 0.5907 0.5907 0.7746 0.7746 0.8794 0.8794 1.3734 1.3734 1.6598 1.6598 1.7756 1.7756 2.0519 2.0519 2.1509 2.1509 2.3778 2.3778 2.5742 2.5742 2.6604 2.6604 2.7777 2.7777 3.1590 3.1590 3.2608 3.2608 4.8306 4.8306 5.3082 5.3082 6.4195 6.4195 6.7171 6.7171 6.8595 6.8595 6.9832 6.9832 7.0602 7.0602 7.5104 7.5104 k = 0.0000 0.0000 0.0000 ( 9883 PWs) bands (ev): -12.2332 -12.2332 -11.8902 -11.8902 -9.9751 -9.9751 -9.4022 -9.4022 -9.1460 -9.1460 -9.0816 -9.0816 -8.7806 -8.7806 -8.7610 -8.7610 -5.5569 -5.5569 -4.2816 -4.2816 -3.1751 -3.1751 -3.0978 -3.0978 -2.6256 -2.6256 -2.3585 -2.3585 -1.9122 -1.9122 -1.8246 -1.8246 -1.7638 -1.7638 -1.4000 -1.4000 -1.2600 -1.2600 -1.1566 -1.1566 -0.8336 -0.8336 -0.7623 -0.7623 -0.3599 -0.3599 0.0626 0.0626 0.1748 0.1748 0.5307 0.5307 0.5907 0.5907 0.7746 0.7746 0.8794 0.8794 1.3734 1.3734 1.6598 1.6598 1.7756 1.7756 2.0519 2.0519 2.1509 2.1509 2.3778 2.3778 2.5742 2.5742 2.6604 2.6604 2.7777 2.7777 3.1590 3.1590 3.2608 3.2608 4.8306 4.8306 5.3082 5.3082 6.4195 6.4195 6.7171 6.7171 6.8595 6.8595 6.9832 6.9832 7.0602 7.0602 7.5104 7.5104 k = 0.0000 0.0000 0.0187 ( 9874 PWs) bands (ev): -12.2327 -12.2327 -11.8908 -11.8908 -9.9742 -9.9742 -9.4031 -9.4031 -9.1456 -9.1456 -9.0816 -9.0816 -8.7809 -8.7809 -8.7612 -8.7612 -5.5553 -5.5553 -4.2847 -4.2847 -3.1739 -3.1739 -3.0975 -3.0975 -2.6246 -2.6246 -2.3580 -2.3580 -1.9140 -1.9140 -1.8227 -1.8227 -1.7649 -1.7649 -1.4002 -1.4002 -1.2584 -1.2584 -1.1564 -1.1564 -0.8326 -0.8326 -0.7613 -0.7613 -0.3597 -0.3597 0.0613 0.0613 0.1737 0.1737 0.5179 0.5179 0.5993 0.5993 0.7756 0.7756 0.8806 0.8806 1.3738 1.3738 1.6595 1.6595 1.7761 1.7761 2.0476 2.0476 2.1509 2.1509 2.3807 2.3807 2.5744 2.5744 2.6579 2.6579 2.7784 2.7784 3.1585 3.1585 3.2612 3.2612 4.8323 4.8323 5.3065 5.3065 6.4177 6.4177 6.7190 6.7190 6.8558 6.8558 6.9905 6.9905 7.0631 7.0631 7.5129 7.5129 k = 0.0000 0.0000 0.0373 ( 9870 PWs) bands (ev): -12.2314 -12.2314 -11.8927 -11.8927 -9.9716 -9.9716 -9.4059 -9.4059 -9.1444 -9.1444 -9.0815 -9.0815 -8.7818 -8.7818 -8.7617 -8.7617 -5.5506 -5.5506 -4.2940 -4.2940 -3.1702 -3.1702 -3.0965 -3.0965 -2.6214 -2.6214 -2.3565 -2.3565 -1.9189 -1.9189 -1.8181 -1.8181 -1.7677 -1.7677 -1.4010 -1.4010 -1.2535 -1.2535 -1.1559 -1.1559 -0.8296 -0.8296 -0.7584 -0.7584 -0.3590 -0.3590 0.0573 0.0573 0.1703 0.1703 0.4904 0.4904 0.6147 0.6147 0.7779 0.7779 0.8843 0.8843 1.3751 1.3751 1.6585 1.6585 1.7776 1.7776 2.0359 2.0359 2.1505 2.1505 2.3891 2.3891 2.5748 2.5748 2.6503 2.6503 2.7805 2.7805 3.1571 3.1571 3.2622 3.2622 4.8372 4.8372 5.3017 5.3017 6.4126 6.4126 6.7243 6.7243 6.8472 6.8472 7.0096 7.0096 7.0718 7.0718 7.5201 7.5201 k = 0.0000 0.0000 0.0560 ( 9873 PWs) bands (ev): -12.2291 -12.2291 -11.8958 -11.8958 -9.9672 -9.9672 -9.4105 -9.4105 -9.1424 -9.1424 -9.0814 -9.0814 -8.7835 -8.7835 -8.7624 -8.7624 -5.5429 -5.5429 -4.3092 -4.3092 -3.1643 -3.1643 -3.0948 -3.0948 -2.6163 -2.6163 -2.3541 -2.3541 -1.9254 -1.9254 -1.8131 -1.8131 -1.7708 -1.7708 -1.4029 -1.4029 -1.2453 -1.2453 -1.1545 -1.1545 -0.8252 -0.8252 -0.7532 -0.7532 -0.3578 -0.3578 0.0507 0.0507 0.1647 0.1647 0.4571 0.4571 0.6287 0.6287 0.7809 0.7809 0.8908 0.8908 1.3770 1.3770 1.6567 1.6567 1.7802 1.7802 2.0190 2.0190 2.1489 2.1489 2.4018 2.4018 2.5752 2.5752 2.6383 2.6383 2.7837 2.7837 3.1550 3.1550 3.2639 3.2639 4.8451 4.8451 5.2938 5.2938 6.4048 6.4048 6.7320 6.7320 6.8379 6.8379 7.0352 7.0352 7.0872 7.0872 7.5318 7.5318 k = 0.0000 0.0000 0.0746 ( 9876 PWs) bands (ev): -12.2260 -12.2260 -11.9001 -11.9001 -9.9610 -9.9610 -9.4170 -9.4170 -9.1397 -9.1397 -9.0813 -9.0813 -8.7859 -8.7859 -8.7632 -8.7632 -5.5320 -5.5320 -4.3299 -4.3299 -3.1566 -3.1566 -3.0926 -3.0926 -2.6094 -2.6094 -2.3508 -2.3508 -1.9326 -1.9326 -1.8110 -1.8110 -1.7713 -1.7713 -1.4064 -1.4064 -1.2342 -1.2342 -1.1517 -1.1517 -0.8201 -0.8201 -0.7457 -0.7457 -0.3561 -0.3561 0.0417 0.0417 0.1571 0.1571 0.4207 0.4207 0.6395 0.6395 0.7835 0.7835 0.8999 0.8999 1.3791 1.3791 1.6539 1.6539 1.7843 1.7843 1.9992 1.9992 2.1456 2.1456 2.4174 2.4174 2.5750 2.5750 2.6230 2.6230 2.7878 2.7878 3.1523 3.1523 3.2661 3.2661 4.8556 4.8556 5.2832 5.2832 6.3952 6.3952 6.7407 6.7407 6.8315 6.8315 7.0624 7.0624 7.1111 7.1111 7.5473 7.5473 k = 0.0000 0.0000 0.0933 ( 9877 PWs) bands (ev): -12.2220 -12.2220 -11.9056 -11.9056 -9.9532 -9.9532 -9.4251 -9.4251 -9.1363 -9.1363 -9.0811 -9.0811 -8.7891 -8.7891 -8.7640 -8.7640 -5.5182 -5.5182 -4.3556 -4.3556 -3.1474 -3.1474 -3.0897 -3.0897 -2.6008 -2.6008 -2.3469 -2.3469 -1.9396 -1.9396 -1.8141 -1.8141 -1.7673 -1.7673 -1.4121 -1.4121 -1.2206 -1.2206 -1.1467 -1.1467 -0.8149 -0.8149 -0.7357 -0.7357 -0.3539 -0.3539 0.0303 0.0303 0.1475 0.1475 0.3827 0.3827 0.6476 0.6476 0.7850 0.7850 0.9111 0.9111 1.3808 1.3808 1.6500 1.6500 1.7903 1.7903 1.9787 1.9787 2.1405 2.1405 2.4341 2.4341 2.5732 2.5732 2.6061 2.6061 2.7927 2.7927 3.1493 3.1493 3.2686 3.2686 4.8681 4.8681 5.2700 5.2700 6.3849 6.3849 6.7480 6.7480 6.8305 6.8305 7.0880 7.0880 7.1442 7.1442 7.5657 7.5657 k = 0.0000 0.0000 0.1120 ( 9881 PWs) bands (ev): -12.2172 -12.2172 -11.9121 -11.9121 -9.9438 -9.9438 -9.4350 -9.4350 -9.1322 -9.1322 -9.0809 -9.0809 -8.7932 -8.7932 -8.7648 -8.7648 -5.5014 -5.5014 -4.3858 -4.3858 -3.1372 -3.1372 -3.0863 -3.0863 -2.5908 -2.5908 -2.3424 -2.3424 -1.9458 -1.9458 -1.8210 -1.8210 -1.7601 -1.7601 -1.4199 -1.4199 -1.2054 -1.2054 -1.1388 -1.1388 -0.8098 -0.8098 -0.7235 -0.7235 -0.3512 -0.3512 0.0169 0.0169 0.1360 0.1360 0.3436 0.3436 0.6536 0.6536 0.7853 0.7853 0.9232 0.9232 1.3818 1.3818 1.6449 1.6449 1.7983 1.7983 1.9591 1.9591 2.1336 2.1336 2.4501 2.4501 2.5663 2.5663 2.5924 2.5924 2.7982 2.7982 3.1462 3.1462 3.2712 3.2712 4.8819 4.8819 5.2548 5.2548 6.3747 6.3747 6.7523 6.7523 6.8367 6.8367 7.1125 7.1125 7.1844 7.1844 7.5859 7.5859 k = 0.0000 0.0000 0.1306 ( 9884 PWs) bands (ev): -12.2116 -12.2116 -11.9197 -11.9197 -9.9329 -9.9329 -9.4464 -9.4464 -9.1274 -9.1274 -9.0806 -9.0806 -8.7982 -8.7982 -8.7654 -8.7654 -5.4817 -5.4817 -4.4199 -4.4199 -3.1266 -3.1266 -3.0825 -3.0825 -2.5796 -2.5796 -2.3377 -2.3377 -1.9510 -1.9510 -1.8293 -1.8293 -1.7517 -1.7517 -1.4299 -1.4299 -1.1894 -1.1894 -1.1276 -1.1276 -0.8052 -0.8052 -0.7094 -0.7094 -0.3479 -0.3479 0.0016 0.0016 0.1229 0.1229 0.3043 0.3043 0.6580 0.6580 0.7845 0.7845 0.9350 0.9350 1.3812 1.3812 1.6389 1.6389 1.8085 1.8085 1.9418 1.9418 2.1254 2.1254 2.4620 2.4620 2.5533 2.5533 2.5858 2.5858 2.8044 2.8044 3.1430 3.1430 3.2740 3.2740 4.8966 4.8966 5.2379 5.2379 6.3652 6.3652 6.7532 6.7532 6.8499 6.8499 7.1368 7.1368 7.2290 7.2290 7.6066 7.6066 k = 0.0000 0.0000 0.1493 ( 9886 PWs) bands (ev): -12.2051 -12.2051 -11.9283 -11.9283 -9.9205 -9.9205 -9.4594 -9.4594 -9.1222 -9.1222 -9.0803 -9.0803 -8.8039 -8.8039 -8.7659 -8.7659 -5.4593 -5.4593 -4.4573 -4.4573 -3.1159 -3.1159 -3.0780 -3.0780 -2.5675 -2.5675 -2.3330 -2.3330 -1.9551 -1.9551 -1.8374 -1.8374 -1.7434 -1.7434 -1.4416 -1.4416 -1.1735 -1.1735 -1.1127 -1.1127 -0.8009 -0.8009 -0.6942 -0.6942 -0.3443 -0.3443 -0.0149 -0.0149 0.1082 0.1082 0.2651 0.2651 0.6615 0.6615 0.7832 0.7832 0.9455 0.9455 1.3783 1.3783 1.6327 1.6327 1.8207 1.8207 1.9278 1.9278 2.1159 2.1159 2.4635 2.4635 2.5438 2.5438 2.5829 2.5829 2.8111 2.8111 3.1399 3.1399 3.2767 3.2767 4.9115 4.9115 5.2198 5.2198 6.3570 6.3570 6.7521 6.7521 6.8685 6.8685 7.1612 7.1612 7.2762 7.2762 7.6264 7.6264 k = 0.0000 0.0000 0.1680 ( 9889 PWs) bands (ev): -12.1979 -12.1979 -11.9377 -11.9377 -9.9067 -9.9067 -9.4737 -9.4737 -9.1165 -9.1165 -9.0799 -9.0799 -8.8102 -8.8102 -8.7663 -8.7663 -5.4342 -5.4342 -4.4974 -4.4974 -3.1057 -3.1057 -3.0731 -3.0731 -2.5548 -2.5548 -2.3287 -2.3287 -1.9581 -1.9581 -1.8444 -1.8444 -1.7357 -1.7357 -1.4548 -1.4548 -1.1579 -1.1579 -1.0948 -1.0948 -0.7967 -0.7967 -0.6784 -0.6784 -0.3402 -0.3402 -0.0323 -0.0323 0.0922 0.0922 0.2266 0.2266 0.6642 0.6642 0.7816 0.7816 0.9538 0.9538 1.3721 1.3721 1.6276 1.6276 1.8345 1.8345 1.9177 1.9177 2.1056 2.1056 2.4499 2.4499 2.5448 2.5448 2.5816 2.5816 2.8183 2.8183 3.1367 3.1367 3.2792 3.2792 4.9261 4.9261 5.2009 5.2009 6.3505 6.3505 6.7503 6.7503 6.8907 6.8907 7.1853 7.1853 7.3247 7.3247 7.6443 7.6443 k = 0.0000 0.0000 0.1866 ( 9888 PWs) bands (ev): -12.1899 -12.1899 -11.9479 -11.9479 -9.8916 -9.8916 -9.4894 -9.4894 -9.1105 -9.1105 -9.0794 -9.0794 -8.8171 -8.8171 -8.7667 -8.7667 -5.4066 -5.4066 -4.5399 -4.5399 -3.0964 -3.0964 -3.0675 -3.0675 -2.5416 -2.5416 -2.3250 -2.3250 -1.9599 -1.9599 -1.8498 -1.8498 -1.7288 -1.7288 -1.4690 -1.4690 -1.1426 -1.1426 -1.0748 -1.0748 -0.7925 -0.7925 -0.6629 -0.6629 -0.3357 -0.3357 -0.0499 -0.0499 0.0751 0.0751 0.1893 0.1893 0.6664 0.6664 0.7802 0.7802 0.9600 0.9600 1.3618 1.3618 1.6251 1.6251 1.8484 1.8484 1.9124 1.9124 2.0948 2.0948 2.4258 2.4258 2.5508 2.5508 2.5829 2.5829 2.8258 2.8258 3.1336 3.1336 3.2817 3.2817 4.9399 4.9399 5.1818 5.1818 6.3457 6.3457 6.7484 6.7484 6.9155 6.9155 7.2082 7.2082 7.3736 7.3736 7.6595 7.6595 k = 0.0000 0.0000 0.2053 ( 9890 PWs) bands (ev): -12.1812 -12.1812 -11.9588 -11.9588 -9.8753 -9.8753 -9.5063 -9.5063 -9.1044 -9.1044 -9.0787 -9.0787 -8.8244 -8.8244 -8.7670 -8.7670 -5.3766 -5.3766 -4.5842 -4.5842 -3.0883 -3.0883 -3.0614 -3.0614 -2.5281 -2.5281 -2.3223 -2.3223 -1.9607 -1.9607 -1.8535 -1.8535 -1.7224 -1.7224 -1.4839 -1.4839 -1.1274 -1.1274 -1.0538 -1.0538 -0.7879 -0.7879 -0.6485 -0.6485 -0.3309 -0.3309 -0.0673 -0.0673 0.0572 0.0572 0.1537 0.1537 0.6681 0.6681 0.7791 0.7791 0.9640 0.9640 1.3468 1.3468 1.6265 1.6265 1.8597 1.8597 1.9137 1.9137 2.0839 2.0839 2.3972 2.3972 2.5534 2.5534 2.5897 2.5897 2.8336 2.8336 3.1304 3.1304 3.2839 3.2839 4.9527 4.9527 5.1628 5.1628 6.3428 6.3428 6.7469 6.7469 6.9421 6.9421 7.2292 7.2292 7.4219 7.4219 7.6717 7.6717 k = 0.0000 0.0000 0.2239 ( 9891 PWs) bands (ev): -12.1719 -12.1719 -11.9702 -11.9702 -9.8579 -9.8579 -9.5242 -9.5242 -9.0985 -9.0985 -9.0775 -9.0775 -8.8318 -8.8318 -8.7672 -8.7672 -5.3443 -5.3443 -4.6299 -4.6299 -3.0815 -3.0815 -3.0549 -3.0549 -2.5147 -2.5147 -2.3208 -2.3208 -1.9604 -1.9604 -1.8558 -1.8558 -1.7163 -1.7163 -1.4991 -1.4991 -1.1120 -1.1120 -1.0331 -1.0331 -0.7826 -0.7826 -0.6358 -0.6358 -0.3257 -0.3257 -0.0841 -0.0841 0.0390 0.0390 0.1201 0.1201 0.6692 0.6692 0.7784 0.7784 0.9667 0.9667 1.3273 1.3273 1.6323 1.6323 1.8659 1.8659 1.9228 1.9228 2.0732 2.0732 2.3669 2.3669 2.5511 2.5511 2.6010 2.6010 2.8414 2.8414 3.1271 3.1271 3.2859 3.2859 4.9643 4.9643 5.1444 5.1444 6.3416 6.3416 6.7456 6.7456 6.9701 6.9701 7.2470 7.2470 7.4687 7.4687 7.6811 7.6811 k = 0.0000 0.0000 0.2426 ( 9892 PWs) bands (ev): -12.1619 -12.1619 -11.9822 -11.9822 -9.8396 -9.8396 -9.5431 -9.5431 -9.0934 -9.0934 -9.0757 -9.0757 -8.8394 -8.8394 -8.7674 -8.7674 -5.3099 -5.3099 -4.6767 -4.6767 -3.0759 -3.0759 -3.0483 -3.0483 -2.5015 -2.5015 -2.3207 -2.3207 -1.9591 -1.9591 -1.8573 -1.8573 -1.7100 -1.7100 -1.5146 -1.5146 -1.0968 -1.0968 -1.0137 -1.0137 -0.7763 -0.7763 -0.6258 -0.6258 -0.3199 -0.3199 -0.0999 -0.0999 0.0211 0.0211 0.0891 0.0891 0.6697 0.6697 0.7782 0.7782 0.9688 0.9688 1.3040 1.3040 1.6423 1.6423 1.8672 1.8672 1.9381 1.9381 2.0635 2.0635 2.3362 2.3362 2.5463 2.5463 2.6136 2.6136 2.8492 2.8492 3.1238 3.1238 3.2878 3.2878 4.9746 4.9746 5.1269 5.1269 6.3418 6.3418 6.7446 6.7446 6.9992 6.9992 7.2607 7.2607 7.5131 7.5131 7.6883 7.6883 k = 0.0000 0.0000 0.2613 ( 9890 PWs) bands (ev): -12.1514 -12.1514 -11.9946 -11.9946 -9.8203 -9.8203 -9.5628 -9.5628 -9.0894 -9.0894 -9.0727 -9.0727 -8.8467 -8.8467 -8.7675 -8.7675 -5.2735 -5.2735 -4.7240 -4.7240 -3.0713 -3.0713 -3.0421 -3.0421 -2.4886 -2.4886 -2.3218 -2.3218 -1.9564 -1.9564 -1.8588 -1.8588 -1.7027 -1.7027 -1.5301 -1.5301 -1.0817 -1.0817 -0.9965 -0.9965 -0.7685 -0.7685 -0.6192 -0.6192 -0.3132 -0.3132 -0.1150 -0.1150 0.0043 0.0043 0.0612 0.0612 0.6695 0.6695 0.7782 0.7782 0.9713 0.9713 1.2783 1.2783 1.6557 1.6557 1.8654 1.8654 1.9561 1.9561 2.0553 2.0553 2.3060 2.3060 2.5403 2.5403 2.6259 2.6259 2.8567 2.8567 3.1204 3.1204 3.2893 3.2893 4.9834 4.9834 5.1107 5.1107 6.3432 6.3432 6.7439 6.7439 7.0290 7.0290 7.2692 7.2692 7.5543 7.5543 7.6942 7.6942 k = 0.0000 0.0000 0.2799 ( 9889 PWs) bands (ev): -12.1405 -12.1405 -12.0072 -12.0072 -9.8004 -9.8004 -9.5832 -9.5832 -9.0869 -9.0869 -9.0687 -9.0687 -8.8537 -8.8537 -8.7676 -8.7676 -5.2354 -5.2354 -4.7717 -4.7717 -3.0676 -3.0676 -3.0364 -3.0364 -2.4765 -2.4765 -2.3242 -2.3242 -1.9526 -1.9526 -1.8611 -1.8611 -1.6939 -1.6939 -1.5456 -1.5456 -1.0672 -1.0672 -0.9825 -0.9825 -0.7590 -0.7590 -0.6166 -0.6166 -0.3051 -0.3051 -0.1296 -0.1296 -0.0106 -0.0106 0.0366 0.0366 0.6688 0.6688 0.7782 0.7782 0.9751 0.9751 1.2513 1.2513 1.6716 1.6716 1.8615 1.8615 1.9743 1.9743 2.0498 2.0498 2.2770 2.2770 2.5339 2.5339 2.6370 2.6370 2.8637 2.8637 3.1171 3.1171 3.2907 3.2907 4.9910 4.9910 5.0961 5.0961 6.3454 6.3454 6.7433 6.7433 7.0592 7.0592 7.2719 7.2719 7.5914 7.5914 7.6992 7.6992 k = 0.0000 0.0000 0.2986 ( 9891 PWs) bands (ev): -12.1292 -12.1292 -12.0198 -12.0198 -9.7798 -9.7798 -9.6041 -9.6041 -9.0854 -9.0854 -9.0643 -9.0643 -8.8600 -8.8600 -8.7677 -8.7677 -5.1959 -5.1959 -4.8192 -4.8192 -3.0646 -3.0646 -3.0316 -3.0316 -2.4653 -2.4653 -2.3274 -2.3274 -1.9476 -1.9476 -1.8646 -1.8646 -1.6835 -1.6835 -1.5611 -1.5611 -1.0537 -1.0537 -0.9720 -0.9720 -0.7475 -0.7475 -0.6181 -0.6181 -0.2954 -0.2954 -0.1444 -0.1444 -0.0228 -0.0228 0.0159 0.0159 0.6676 0.6676 0.7781 0.7781 0.9807 0.9807 1.2247 1.2247 1.6888 1.6888 1.8557 1.8557 1.9902 1.9902 2.0482 2.0482 2.2497 2.2497 2.5278 2.5278 2.6464 2.6464 2.8700 2.8700 3.1139 3.1139 3.2919 3.2919 4.9973 4.9973 5.0834 5.0834 6.3479 6.3479 6.7429 6.7429 7.0895 7.0895 7.2684 7.2684 7.6236 7.6236 7.7035 7.7035 k = 0.0000 0.0000 0.3172 ( 9897 PWs) bands (ev): -12.1178 -12.1178 -12.0324 -12.0324 -9.7588 -9.7588 -9.6254 -9.6254 -9.0846 -9.0846 -9.0601 -9.0601 -8.8653 -8.8653 -8.7678 -8.7678 -5.1553 -5.1553 -4.8661 -4.8661 -3.0623 -3.0623 -3.0278 -3.0278 -2.4556 -2.4556 -2.3311 -2.3311 -1.9419 -1.9419 -1.8693 -1.8693 -1.6714 -1.6714 -1.5766 -1.5766 -1.0418 -1.0418 -0.9651 -0.9651 -0.7347 -0.7347 -0.6233 -0.6233 -0.2841 -0.2841 -0.1596 -0.1596 -0.0318 -0.0318 -0.0007 -0.0007 0.6663 0.6663 0.7778 0.7778 0.9878 0.9878 1.1999 1.1999 1.7058 1.7058 1.8484 1.8484 2.0014 2.0014 2.0521 2.0521 2.2250 2.2250 2.5225 2.5225 2.6539 2.6539 2.8753 2.8753 3.1112 3.1112 3.2928 3.2928 5.0024 5.0024 5.0729 5.0729 6.3504 6.3504 6.7426 6.7426 7.1194 7.1194 7.2591 7.2591 7.6503 7.6503 7.7069 7.7069 k = 0.0000 0.0000 0.3359 ( 9898 PWs) bands (ev): -12.1067 -12.1067 -12.0443 -12.0443 -9.7376 -9.7376 -9.6468 -9.6468 -9.0841 -9.0841 -9.0567 -9.0567 -8.8694 -8.8694 -8.7679 -8.7679 -5.1147 -5.1147 -4.9112 -4.9112 -3.0606 -3.0606 -3.0251 -3.0251 -2.4479 -2.4479 -2.3345 -2.3345 -1.9360 -1.9360 -1.8745 -1.8745 -1.6581 -1.6581 -1.5919 -1.5919 -1.0321 -1.0321 -0.9613 -0.9613 -0.7215 -0.7215 -0.6310 -0.6310 -0.2720 -0.2720 -0.1745 -0.1745 -0.0377 -0.0377 -0.0129 -0.0129 0.6650 0.6650 0.7775 0.7775 0.9955 0.9955 1.1791 1.1791 1.7211 1.7211 1.8405 1.8405 2.0073 2.0073 2.0607 2.0607 2.2041 2.2041 2.5183 2.5183 2.6594 2.6594 2.8794 2.8794 3.1090 3.1090 3.2934 3.2934 5.0063 5.0063 5.0649 5.0649 6.3524 6.3524 6.7423 6.7423 7.1485 7.1485 7.2445 7.2445 7.6709 7.6709 7.7088 7.7088 k = 0.0000 0.0000 0.3546 ( 9896 PWs) bands (ev): -12.0970 -12.0970 -12.0545 -12.0545 -9.7169 -9.7169 -9.6677 -9.6677 -9.0838 -9.0838 -9.0545 -9.0545 -8.8719 -8.8719 -8.7679 -8.7679 -5.0771 -5.0771 -4.9516 -4.9516 -3.0597 -3.0597 -3.0234 -3.0234 -2.4429 -2.4429 -2.3370 -2.3370 -1.9313 -1.9313 -1.8789 -1.8789 -1.6449 -1.6449 -1.6062 -1.6062 -1.0258 -1.0258 -0.9597 -0.9597 -0.7106 -0.7106 -0.6388 -0.6388 -0.2613 -0.2613 -0.1870 -0.1870 -0.0408 -0.0408 -0.0205 -0.0205 0.6642 0.6642 0.7772 0.7772 1.0019 1.0019 1.1647 1.1647 1.7324 1.7324 1.8338 1.8338 2.0096 2.0096 2.0695 2.0695 2.1891 2.1891 2.5156 2.5156 2.6627 2.6627 2.8819 2.8819 3.1076 3.1076 3.2938 3.2938 5.0089 5.0089 5.0598 5.0598 6.3538 6.3538 6.7422 6.7422 7.1761 7.1761 7.2254 7.2254 7.6848 7.6848 7.7089 7.7089 k = 0.0000 0.0000 0.3732 ( 9892 PWs) bands (ev): -12.0925 -12.0925 -12.0592 -12.0592 -9.7031 -9.7031 -9.6815 -9.6815 -9.0838 -9.0838 -9.0538 -9.0538 -8.8728 -8.8728 -8.7679 -8.7679 -5.0572 -5.0572 -4.9725 -4.9725 -3.0593 -3.0593 -3.0229 -3.0229 -2.4411 -2.4411 -2.3379 -2.3379 -1.9294 -1.9294 -1.8807 -1.8807 -1.6369 -1.6369 -1.6144 -1.6144 -1.0235 -1.0235 -0.9593 -0.9593 -0.7060 -0.7060 -0.6423 -0.6423 -0.2566 -0.2566 -0.1923 -0.1923 -0.0417 -0.0417 -0.0231 -0.0231 0.6639 0.6639 0.7771 0.7771 1.0044 1.0044 1.1595 1.1595 1.7367 1.7367 1.8310 1.8310 2.0102 2.0102 2.0734 2.0734 2.1835 2.1835 2.5147 2.5147 2.6638 2.6638 2.8828 2.8828 3.1071 3.1071 3.2940 3.2940 5.0098 5.0098 5.0581 5.0581 6.3542 6.3542 6.7421 6.7421 7.1982 7.1982 7.2060 7.2060 7.6901 7.6901 7.7083 7.7083 k = 0.5000-0.0946 0.3711 ( 9844 PWs) bands (ev): -12.1128 -12.1128 -11.9352 -11.9352 -9.9740 -9.9740 -9.3848 -9.3848 -9.1642 -9.1642 -9.0874 -9.0874 -8.9719 -8.9719 -8.8674 -8.8674 -5.3661 -5.3661 -4.3284 -4.3284 -3.1226 -3.1226 -2.9673 -2.9673 -2.4779 -2.4779 -2.0989 -2.0989 -1.8331 -1.8331 -1.7829 -1.7829 -1.5707 -1.5707 -1.4582 -1.4582 -1.4492 -1.4492 -1.1887 -1.1887 -0.8756 -0.8756 -0.6590 -0.6590 -0.3112 -0.3112 0.0461 0.0461 0.1781 0.1781 0.4470 0.4470 0.6691 0.6691 0.7761 0.7761 0.8149 0.8149 0.8601 0.8601 1.3212 1.3212 1.7570 1.7570 1.8685 1.8685 2.0784 2.0784 2.0974 2.0974 2.4211 2.4211 2.5518 2.5518 2.7805 2.7805 2.9625 2.9625 3.6866 3.6866 5.3041 5.3041 5.7099 5.7099 6.2059 6.2059 6.7605 6.7605 7.0792 7.0792 7.1324 7.1324 7.2543 7.2543 8.1529 8.1529 k = 0.4853-0.0918 0.3602 ( 9841 PWs) bands (ev): -12.1131 -12.1131 -11.9351 -11.9351 -9.9740 -9.9740 -9.3848 -9.3848 -9.1641 -9.1641 -9.0868 -9.0868 -8.9722 -8.9722 -8.8672 -8.8672 -5.3665 -5.3665 -4.3283 -4.3283 -3.1225 -3.1225 -2.9677 -2.9677 -2.4784 -2.4784 -2.0996 -2.0996 -1.8337 -1.8337 -1.7823 -1.7823 -1.5708 -1.5708 -1.4595 -1.4595 -1.4472 -1.4472 -1.1886 -1.1886 -0.8755 -0.8755 -0.6594 -0.6594 -0.3114 -0.3114 0.0457 0.0457 0.1775 0.1775 0.4476 0.4476 0.6687 0.6687 0.7727 0.7727 0.8205 0.8205 0.8608 0.8608 1.3217 1.3217 1.7575 1.7575 1.8678 1.8678 2.0726 2.0726 2.1034 2.1034 2.4193 2.4193 2.5549 2.5549 2.7802 2.7802 2.9627 2.9627 3.6855 3.6855 5.3037 5.3037 5.7076 5.7076 6.2063 6.2063 6.7611 6.7611 7.0784 7.0784 7.1319 7.1319 7.2558 7.2558 8.1478 8.1478 k = 0.4706-0.0890 0.3493 ( 9841 PWs) bands (ev): -12.1139 -12.1139 -11.9349 -11.9349 -9.9740 -9.9740 -9.3850 -9.3850 -9.1638 -9.1638 -9.0848 -9.0848 -8.9733 -8.9733 -8.8663 -8.8663 -5.3677 -5.3677 -4.3281 -4.3281 -3.1225 -3.1225 -2.9690 -2.9690 -2.4796 -2.4796 -2.1018 -2.1018 -1.8355 -1.8355 -1.7808 -1.7808 -1.5712 -1.5712 -1.4620 -1.4620 -1.4428 -1.4428 -1.1884 -1.1884 -0.8750 -0.8750 -0.6606 -0.6606 -0.3119 -0.3119 0.0446 0.0446 0.1758 0.1758 0.4494 0.4494 0.6678 0.6678 0.7658 0.7658 0.8326 0.8326 0.8644 0.8644 1.3230 1.3230 1.7590 1.7590 1.8659 1.8659 2.0627 2.0627 2.1135 2.1135 2.4146 2.4146 2.5634 2.5634 2.7792 2.7792 2.9631 2.9631 3.6822 3.6822 5.3025 5.3025 5.7007 5.7007 6.2076 6.2076 6.7630 6.7630 7.0758 7.0758 7.1311 7.1311 7.2601 7.2601 8.1350 8.1350 k = 0.4559-0.0862 0.3384 ( 9841 PWs) bands (ev): -12.1153 -12.1153 -11.9344 -11.9344 -9.9740 -9.9740 -9.3852 -9.3852 -9.1633 -9.1633 -9.0817 -9.0817 -8.9749 -8.9749 -8.8650 -8.8650 -5.3697 -5.3697 -4.3276 -4.3276 -3.1224 -3.1224 -2.9711 -2.9711 -2.4817 -2.4817 -2.1055 -2.1055 -1.8384 -1.8384 -1.7784 -1.7784 -1.5721 -1.5721 -1.4642 -1.4642 -1.4373 -1.4373 -1.1881 -1.1881 -0.8743 -0.8743 -0.6626 -0.6626 -0.3126 -0.3126 0.0429 0.0429 0.1730 0.1730 0.4523 0.4523 0.6665 0.6665 0.7585 0.7585 0.8423 0.8423 0.8761 0.8761 1.3252 1.3252 1.7610 1.7610 1.8627 1.8627 2.0533 2.0533 2.1232 2.1232 2.4089 2.4089 2.5758 2.5758 2.7775 2.7775 2.9638 2.9638 3.6767 3.6767 5.3006 5.3006 5.6894 5.6894 6.2097 6.2097 6.7660 6.7660 7.0708 7.0708 7.1309 7.1309 7.2666 7.2666 8.1186 8.1186 k = 0.4412-0.0834 0.3275 ( 9842 PWs) bands (ev): -12.1171 -12.1171 -11.9338 -11.9338 -9.9740 -9.9740 -9.3855 -9.3855 -9.1625 -9.1625 -9.0773 -9.0773 -8.9772 -8.9772 -8.8631 -8.8631 -5.3725 -5.3725 -4.3270 -4.3270 -3.1223 -3.1223 -2.9739 -2.9739 -2.4845 -2.4845 -2.1104 -2.1104 -1.8421 -1.8421 -1.7753 -1.7753 -1.5734 -1.5734 -1.4657 -1.4657 -1.4311 -1.4311 -1.1877 -1.1877 -0.8733 -0.8733 -0.6654 -0.6654 -0.3137 -0.3137 0.0406 0.0406 0.1695 0.1695 0.4560 0.4560 0.6652 0.6652 0.7514 0.7514 0.8458 0.8458 0.8988 0.8988 1.3282 1.3282 1.7630 1.7630 1.8586 1.8586 2.0457 2.0457 2.1311 2.1311 2.4038 2.4038 2.5903 2.5903 2.7753 2.7753 2.9649 2.9649 3.6691 3.6691 5.2980 5.2980 5.6737 5.6737 6.2127 6.2127 6.7700 6.7700 7.0630 7.0630 7.1323 7.1323 7.2746 7.2746 8.1014 8.1014 k = 0.4265-0.0807 0.3165 ( 9839 PWs) bands (ev): -12.1195 -12.1195 -11.9330 -11.9330 -9.9740 -9.9740 -9.3860 -9.3860 -9.1615 -9.1615 -9.0717 -9.0717 -8.9800 -8.9800 -8.8607 -8.8607 -5.3761 -5.3761 -4.3262 -4.3262 -3.1221 -3.1221 -2.9775 -2.9775 -2.4881 -2.4881 -2.1167 -2.1167 -1.8465 -1.8465 -1.7717 -1.7717 -1.5753 -1.5753 -1.4665 -1.4665 -1.4243 -1.4243 -1.1872 -1.1872 -0.8719 -0.8719 -0.6689 -0.6689 -0.3149 -0.3149 0.0380 0.0380 0.1654 0.1654 0.4604 0.4604 0.6640 0.6640 0.7447 0.7447 0.8461 0.8461 0.9287 0.9287 1.3321 1.3321 1.7643 1.7643 1.8538 1.8538 2.0407 2.0407 2.1366 2.1366 2.4008 2.4008 2.6058 2.6058 2.7727 2.7727 2.9664 2.9664 3.6596 3.6596 5.2948 5.2948 5.6538 5.6538 6.2166 6.2166 6.7747 6.7747 7.0527 7.0527 7.1354 7.1354 7.2836 7.2836 8.0847 8.0847 k = 0.4118-0.0779 0.3056 ( 9845 PWs) bands (ev): -12.1224 -12.1224 -11.9320 -11.9320 -9.9741 -9.9741 -9.3865 -9.3865 -9.1603 -9.1603 -9.0652 -9.0652 -8.9834 -8.9834 -8.8579 -8.8579 -5.3804 -5.3804 -4.3253 -4.3253 -3.1220 -3.1220 -2.9819 -2.9819 -2.4924 -2.4924 -2.1243 -2.1243 -1.8514 -1.8514 -1.7677 -1.7677 -1.5779 -1.5779 -1.4667 -1.4667 -1.4168 -1.4168 -1.1868 -1.1868 -0.8703 -0.8703 -0.6730 -0.6730 -0.3164 -0.3164 0.0351 0.0351 0.1609 0.1609 0.4653 0.4653 0.6629 0.6629 0.7385 0.7385 0.8454 0.8454 0.9635 0.9635 1.3368 1.3368 1.7640 1.7640 1.8488 1.8488 2.0390 2.0390 2.1390 2.1390 2.4009 2.4009 2.6213 2.6213 2.7697 2.7697 2.9684 2.9684 3.6481 3.6481 5.2911 5.2911 5.6301 5.6301 6.2216 6.2216 6.7798 6.7798 7.0403 7.0403 7.1399 7.1399 7.2931 7.2931 8.0693 8.0693 k = 0.3971-0.0751 0.2947 ( 9846 PWs) bands (ev): -12.1257 -12.1257 -11.9309 -11.9309 -9.9741 -9.9741 -9.3871 -9.3871 -9.1588 -9.1588 -9.0577 -9.0577 -8.9871 -8.9871 -8.8547 -8.8547 -5.3854 -5.3854 -4.3241 -4.3241 -3.1219 -3.1219 -2.9868 -2.9868 -2.4972 -2.4972 -2.1329 -2.1329 -1.8566 -1.8566 -1.7636 -1.7636 -1.5811 -1.5811 -1.4661 -1.4661 -1.4088 -1.4088 -1.1865 -1.1865 -0.8683 -0.8683 -0.6778 -0.6778 -0.3180 -0.3180 0.0322 0.0322 0.1564 0.1564 0.4706 0.4706 0.6619 0.6619 0.7330 0.7330 0.8441 0.8441 1.0021 1.0021 1.3424 1.3424 1.7613 1.7613 1.8439 1.8439 2.0410 2.0410 2.1385 2.1385 2.4042 2.4042 2.6358 2.6358 2.7667 2.7667 2.9709 2.9709 3.6350 3.6350 5.2871 5.2871 5.6028 5.6028 6.2274 6.2274 6.7851 6.7851 7.0264 7.0264 7.1452 7.1452 7.3029 7.3029 8.0556 8.0556 k = 0.3824-0.0723 0.2838 ( 9850 PWs) bands (ev): -12.1295 -12.1295 -11.9296 -11.9296 -9.9741 -9.9741 -9.3878 -9.3878 -9.1570 -9.1570 -9.0495 -9.0495 -8.9910 -8.9910 -8.8512 -8.8512 -5.3911 -5.3911 -4.3229 -4.3229 -3.1218 -3.1218 -2.9924 -2.9924 -2.5026 -2.5026 -2.1425 -2.1425 -1.8620 -1.8620 -1.7595 -1.7595 -1.5849 -1.5849 -1.4650 -1.4650 -1.4003 -1.4003 -1.1863 -1.1863 -0.8660 -0.8660 -0.6830 -0.6830 -0.3197 -0.3197 0.0293 0.0293 0.1519 0.1519 0.4760 0.4760 0.6605 0.6605 0.7284 0.7284 0.8427 0.8427 1.0441 1.0441 1.3489 1.3489 1.7557 1.7557 1.8395 1.8395 2.0470 2.0470 2.1353 2.1353 2.4107 2.4107 2.6486 2.6486 2.7640 2.7640 2.9741 2.9741 3.6202 3.6202 5.2829 5.2829 5.5724 5.5724 6.2342 6.2342 6.7902 6.7902 7.0116 7.0116 7.1508 7.1508 7.3126 7.3126 8.0438 8.0438 k = 0.3676-0.0695 0.2729 ( 9853 PWs) bands (ev): -12.1336 -12.1336 -11.9281 -11.9281 -9.9741 -9.9741 -9.3885 -9.3885 -9.1550 -9.1550 -9.0410 -9.0410 -8.9948 -8.9948 -8.8473 -8.8473 -5.3973 -5.3973 -4.3214 -4.3214 -3.1217 -3.1217 -2.9985 -2.9985 -2.5085 -2.5085 -2.1530 -2.1530 -1.8675 -1.8675 -1.7557 -1.7557 -1.5894 -1.5894 -1.4634 -1.4634 -1.3914 -1.3914 -1.1863 -1.1863 -0.8634 -0.8634 -0.6886 -0.6886 -0.3214 -0.3214 0.0266 0.0266 0.1477 0.1477 0.4815 0.4815 0.6583 0.6583 0.7253 0.7253 0.8411 0.8411 1.0887 1.0887 1.3562 1.3562 1.7473 1.7473 1.8355 1.8355 2.0568 2.0568 2.1301 2.1301 2.4199 2.4199 2.6590 2.6590 2.7621 2.7621 2.9780 2.9780 3.6042 3.6042 5.2786 5.2786 5.5393 5.5393 6.2418 6.2418 6.7950 6.7950 6.9961 6.9961 7.1563 7.1563 7.3222 7.3222 8.0341 8.0341 k = 0.3529-0.0668 0.2620 ( 9857 PWs) bands (ev): -12.1380 -12.1380 -11.9266 -11.9266 -9.9742 -9.9742 -9.3893 -9.3893 -9.1528 -9.1528 -9.0332 -9.0332 -8.9975 -8.9975 -8.8432 -8.8432 -5.4041 -5.4041 -4.3199 -4.3199 -3.1217 -3.1217 -3.0049 -3.0049 -2.5148 -2.5148 -2.1642 -2.1642 -1.8729 -1.8729 -1.7524 -1.7524 -1.5943 -1.5943 -1.4612 -1.4612 -1.3824 -1.3824 -1.1864 -1.1864 -0.8605 -0.8605 -0.6946 -0.6946 -0.3231 -0.3231 0.0242 0.0242 0.1438 0.1438 0.4870 0.4870 0.6550 0.6550 0.7241 0.7241 0.8395 0.8395 1.1355 1.1355 1.3645 1.3645 1.7365 1.7365 1.8318 1.8318 2.0698 2.0698 2.1242 2.1242 2.4311 2.4311 2.6661 2.6661 2.7616 2.7616 2.9826 2.9826 3.5869 3.5869 5.2743 5.2743 5.5038 5.5038 6.2500 6.2500 6.7992 6.7992 6.9803 6.9803 7.1613 7.1613 7.3314 7.3314 8.0263 8.0263 k = 0.3382-0.0640 0.2511 ( 9858 PWs) bands (ev): -12.1428 -12.1428 -11.9249 -11.9249 -9.9742 -9.9742 -9.3902 -9.3902 -9.1503 -9.1503 -9.0280 -9.0280 -8.9972 -8.9972 -8.8388 -8.8388 -5.4114 -5.4114 -4.3182 -4.3182 -3.1218 -3.1218 -3.0118 -3.0118 -2.5213 -2.5213 -2.1760 -2.1760 -1.8783 -1.8783 -1.7497 -1.7497 -1.5997 -1.5997 -1.4584 -1.4584 -1.3733 -1.3733 -1.1868 -1.1868 -0.8572 -0.8572 -0.7007 -0.7007 -0.3247 -0.3247 0.0221 0.0221 0.1403 0.1403 0.4925 0.4925 0.6505 0.6505 0.7249 0.7249 0.8379 0.8379 1.1837 1.1837 1.3738 1.3738 1.7240 1.7240 1.8283 1.8283 2.0832 2.0832 2.1203 2.1203 2.4435 2.4435 2.6695 2.6695 2.7627 2.7627 2.9880 2.9880 3.5687 3.5687 5.2701 5.2701 5.4666 5.4666 6.2587 6.2587 6.8026 6.8026 6.9644 6.9644 7.1656 7.1656 7.3400 7.3400 8.0203 8.0203 k = 0.3235-0.0612 0.2401 ( 9857 PWs) bands (ev): -12.1478 -12.1478 -11.9231 -11.9231 -9.9743 -9.9743 -9.3911 -9.3911 -9.1476 -9.1476 -9.0277 -9.0277 -8.9917 -8.9917 -8.8343 -8.8343 -5.4191 -5.4191 -4.3164 -4.3164 -3.1220 -3.1220 -3.0189 -3.0189 -2.5281 -2.5281 -2.1882 -2.1882 -1.8834 -1.8834 -1.7477 -1.7477 -1.6057 -1.6057 -1.4551 -1.4551 -1.3642 -1.3642 -1.1874 -1.1874 -0.8536 -0.8536 -0.7071 -0.7071 -0.3263 -0.3263 0.0205 0.0205 0.1374 0.1374 0.4977 0.4977 0.6448 0.6448 0.7275 0.7275 0.8363 0.8363 1.2326 1.2326 1.3846 1.3846 1.7103 1.7103 1.8249 1.8249 2.0893 2.0893 2.1263 2.1263 2.4565 2.4565 2.6692 2.6692 2.7654 2.7654 2.9942 2.9942 3.5497 3.5497 5.2661 5.2661 5.4280 5.4280 6.2677 6.2677 6.8051 6.8051 6.9486 6.9486 7.1691 7.1691 7.3477 7.3477 8.0159 8.0159 k = 0.3088-0.0584 0.2292 ( 9857 PWs) bands (ev): -12.1530 -12.1530 -11.9212 -11.9212 -9.9743 -9.9743 -9.3920 -9.3920 -9.1447 -9.1447 -9.0312 -9.0312 -8.9821 -8.9821 -8.8296 -8.8296 -5.4271 -5.4271 -4.3145 -4.3145 -3.1224 -3.1224 -3.0261 -3.0261 -2.5351 -2.5351 -2.2006 -2.2006 -1.8883 -1.8883 -1.7467 -1.7467 -1.6121 -1.6121 -1.4511 -1.4511 -1.3554 -1.3554 -1.1882 -1.1882 -0.8498 -0.8498 -0.7134 -0.7134 -0.3278 -0.3278 0.0194 0.0194 0.1350 0.1350 0.5028 0.5028 0.6383 0.6383 0.7317 0.7317 0.8348 0.8348 1.2807 1.2807 1.3976 1.3976 1.6959 1.6959 1.8219 1.8219 2.0854 2.0854 2.1448 2.1448 2.4696 2.4696 2.6659 2.6659 2.7692 2.7692 3.0012 3.0012 3.5303 3.5303 5.2622 5.2622 5.3887 5.3887 6.2769 6.2769 6.8067 6.8067 6.9331 6.9331 7.1714 7.1714 7.3542 7.3542 8.0127 8.0127 k = 0.2941-0.0556 0.2183 ( 9863 PWs) bands (ev): -12.1584 -12.1584 -11.9193 -11.9193 -9.9744 -9.9744 -9.3930 -9.3930 -9.1416 -9.1416 -9.0365 -9.0365 -8.9704 -8.9704 -8.8248 -8.8248 -5.4355 -5.4355 -4.3125 -4.3125 -3.1230 -3.1230 -3.0334 -3.0334 -2.5421 -2.5421 -2.2132 -2.2132 -1.8928 -1.8928 -1.7465 -1.7465 -1.6190 -1.6190 -1.4467 -1.4467 -1.3469 -1.3469 -1.1891 -1.1891 -0.8459 -0.8459 -0.7197 -0.7197 -0.3291 -0.3291 0.0187 0.0187 0.1333 0.1333 0.5078 0.5078 0.6313 0.6313 0.7372 0.7372 0.8334 0.8334 1.3255 1.3255 1.4146 1.4146 1.6814 1.6814 1.8195 1.8195 2.0780 2.0780 2.1691 2.1691 2.4821 2.4821 2.6603 2.6603 2.7734 2.7734 3.0088 3.0088 3.5105 3.5105 5.2580 5.2580 5.3496 5.3496 6.2861 6.2861 6.8075 6.8075 6.9179 6.9179 7.1727 7.1727 7.3590 7.3590 8.0101 8.0101 k = 0.2794-0.0528 0.2074 ( 9870 PWs) bands (ev): -12.1639 -12.1639 -11.9173 -11.9173 -9.9744 -9.9744 -9.3940 -9.3940 -9.1384 -9.1384 -9.0427 -9.0427 -8.9577 -8.9577 -8.8199 -8.8199 -5.4440 -5.4440 -4.3104 -4.3104 -3.1239 -3.1239 -3.0406 -3.0406 -2.5491 -2.5491 -2.2258 -2.2258 -1.8971 -1.8971 -1.7473 -1.7473 -1.6265 -1.6265 -1.4418 -1.4418 -1.3387 -1.3387 -1.1901 -1.1901 -0.8418 -0.8418 -0.7259 -0.7259 -0.3304 -0.3304 0.0185 0.0185 0.1321 0.1321 0.5124 0.5124 0.6241 0.6241 0.7435 0.7435 0.8321 0.8321 1.3623 1.3623 1.4395 1.4395 1.6674 1.6674 1.8178 1.8178 2.0701 2.0701 2.1962 2.1962 2.4935 2.4935 2.6531 2.6531 2.7775 2.7775 3.0170 3.0170 3.4907 3.4907 5.2521 5.2521 5.3126 5.3126 6.2951 6.2951 6.8075 6.8075 6.9033 6.9033 7.1727 7.1727 7.3616 7.3616 8.0075 8.0075 k = 0.2647-0.0501 0.1965 ( 9870 PWs) bands (ev): -12.1694 -12.1694 -11.9152 -11.9152 -9.9744 -9.9744 -9.3949 -9.3949 -9.1351 -9.1351 -9.0494 -9.0494 -8.9444 -8.9444 -8.8151 -8.8151 -5.4528 -5.4528 -4.3083 -4.3083 -3.1251 -3.1251 -3.0477 -3.0477 -2.5561 -2.5561 -2.2382 -2.2382 -1.9009 -1.9009 -1.7489 -1.7489 -1.6346 -1.6346 -1.4365 -1.4365 -1.3309 -1.3309 -1.1910 -1.1910 -0.8377 -0.8377 -0.7318 -0.7318 -0.3316 -0.3316 0.0189 0.0189 0.1317 0.1317 0.5169 0.5169 0.6169 0.6169 0.7504 0.7504 0.8309 0.8309 1.3876 1.3876 1.4745 1.4745 1.6544 1.6544 1.8174 1.8174 2.0624 2.0624 2.2251 2.2251 2.5035 2.5035 2.6452 2.6452 2.7811 2.7811 3.0258 3.0258 3.4710 3.4710 5.2389 5.2389 5.2836 5.2836 6.3038 6.3038 6.8068 6.8068 6.8893 6.8893 7.1716 7.1716 7.3617 7.3617 8.0043 8.0043 k = 0.2500-0.0473 0.1856 ( 9867 PWs) bands (ev): -12.1750 -12.1750 -11.9132 -11.9132 -9.9745 -9.9745 -9.3958 -9.3958 -9.1317 -9.1317 -9.0562 -9.0562 -8.9308 -8.9308 -8.8103 -8.8103 -5.4615 -5.4615 -4.3061 -4.3061 -3.1266 -3.1266 -3.0545 -3.0545 -2.5629 -2.5629 -2.2503 -2.2503 -1.9044 -1.9044 -1.7512 -1.7512 -1.6433 -1.6433 -1.4310 -1.4310 -1.3235 -1.3235 -1.1919 -1.1919 -0.8338 -0.8338 -0.7374 -0.7374 -0.3328 -0.3328 0.0197 0.0197 0.1319 0.1319 0.5210 0.5210 0.6099 0.6099 0.7577 0.7577 0.8298 0.8298 1.4045 1.4045 1.5150 1.5150 1.6436 1.6436 1.8186 1.8186 2.0554 2.0554 2.2552 2.2552 2.5113 2.5113 2.6371 2.6371 2.7841 2.7841 3.0350 3.0350 3.4516 3.4516 5.2111 5.2111 5.2705 5.2705 6.3121 6.3121 6.8056 6.8056 6.8761 6.8761 7.1691 7.1691 7.3587 7.3587 7.9996 7.9996 k = 0.2353-0.0445 0.1746 ( 9870 PWs) bands (ev): -12.1805 -12.1805 -11.9111 -11.9111 -9.9745 -9.9745 -9.3967 -9.3967 -9.1284 -9.1284 -9.0631 -9.0631 -8.9170 -8.9170 -8.8055 -8.8055 -5.4703 -5.4703 -4.3039 -4.3039 -3.1286 -3.1286 -3.0608 -3.0608 -2.5696 -2.5696 -2.2621 -2.2621 -1.9075 -1.9075 -1.7543 -1.7543 -1.6525 -1.6525 -1.4256 -1.4256 -1.3163 -1.3163 -1.1926 -1.1926 -0.8302 -0.8302 -0.7426 -0.7426 -0.3340 -0.3340 0.0211 0.0211 0.1327 0.1327 0.5249 0.5249 0.6033 0.6033 0.7650 0.7650 0.8290 0.8290 1.4166 1.4166 1.5538 1.5538 1.6373 1.6373 1.8221 1.8221 2.0493 2.0493 2.2861 2.2861 2.5166 2.5166 2.6293 2.6293 2.7863 2.7863 3.0444 3.0444 3.4327 3.4327 5.1757 5.1757 5.2666 5.2666 6.3199 6.3199 6.8037 6.8037 6.8639 6.8639 7.1654 7.1654 7.3523 7.3523 7.9919 7.9919 k = 0.2206-0.0417 0.1637 ( 9865 PWs) bands (ev): -12.1860 -12.1860 -11.9090 -11.9090 -9.9746 -9.9746 -9.3975 -9.3975 -9.1252 -9.1252 -9.0699 -9.0699 -8.9034 -8.9034 -8.8009 -8.8009 -5.4791 -5.4791 -4.3018 -4.3018 -3.1310 -3.1310 -3.0667 -3.0667 -2.5760 -2.5760 -2.2735 -2.2735 -1.9102 -1.9102 -1.7579 -1.7579 -1.6621 -1.6621 -1.4203 -1.4203 -1.3095 -1.3095 -1.1931 -1.1931 -0.8271 -0.8271 -0.7472 -0.7472 -0.3353 -0.3353 0.0230 0.0230 0.1341 0.1341 0.5284 0.5284 0.5973 0.5973 0.7720 0.7720 0.8286 0.8286 1.4255 1.4255 1.5817 1.5817 1.6419 1.6419 1.8288 1.8288 2.0443 2.0443 2.3172 2.3172 2.5189 2.5189 2.6225 2.6225 2.7879 2.7879 3.0541 3.0541 3.4145 3.4145 5.1390 5.1390 5.2658 5.2658 6.3273 6.3273 6.8013 6.8013 6.8530 6.8530 7.1604 7.1604 7.3421 7.3421 7.9791 7.9791 k = 0.2059-0.0389 0.1528 ( 9871 PWs) bands (ev): -12.1913 -12.1913 -11.9070 -11.9070 -9.9746 -9.9746 -9.3983 -9.3983 -9.1223 -9.1223 -9.0763 -9.0763 -8.8899 -8.8899 -8.7963 -8.7963 -5.4876 -5.4876 -4.2996 -4.2996 -3.1338 -3.1338 -3.0720 -3.0720 -2.5822 -2.5822 -2.2842 -2.2842 -1.9125 -1.9125 -1.7620 -1.7620 -1.6721 -1.6721 -1.4155 -1.4155 -1.3030 -1.3030 -1.1931 -1.1931 -0.8245 -0.8245 -0.7513 -0.7513 -0.3366 -0.3366 0.0254 0.0254 0.1361 0.1361 0.5315 0.5315 0.5920 0.5920 0.7783 0.7783 0.8288 0.8288 1.4315 1.4315 1.5924 1.5924 1.6621 1.6621 1.8401 1.8401 2.0407 2.0407 2.3483 2.3483 2.5181 2.5181 2.6169 2.6169 2.7888 2.7888 3.0638 3.0638 3.3969 3.3969 5.1028 5.1028 5.2666 5.2666 6.3344 6.3344 6.7979 6.7979 6.8440 6.8440 7.1541 7.1541 7.3279 7.3279 7.9578 7.9578 k = 0.1912-0.0362 0.1419 ( 9861 PWs) bands (ev): -12.1964 -12.1964 -11.9050 -11.9050 -9.9747 -9.9747 -9.3990 -9.3990 -9.1199 -9.1199 -9.0822 -9.0822 -8.8767 -8.8767 -8.7920 -8.7920 -5.4960 -5.4960 -4.2975 -4.2975 -3.1371 -3.1371 -3.0766 -3.0766 -2.5880 -2.5880 -2.2944 -2.2944 -1.9144 -1.9144 -1.7664 -1.7664 -1.6824 -1.6824 -1.4112 -1.4112 -1.2966 -1.2966 -1.1927 -1.1927 -0.8226 -0.8226 -0.7547 -0.7547 -0.3382 -0.3382 0.0282 0.0282 0.1385 0.1385 0.5341 0.5341 0.5875 0.5875 0.7835 0.7835 0.8299 0.8299 1.4344 1.4344 1.5952 1.5952 1.6866 1.6866 1.8569 1.8569 2.0386 2.0386 2.3786 2.3786 2.5146 2.5146 2.6127 2.6127 2.7892 2.7892 3.0736 3.0736 3.3802 3.3802 5.0679 5.0679 5.2684 5.2684 6.3411 6.3411 6.7931 6.7931 6.8372 6.8372 7.1466 7.1466 7.3096 7.3096 7.9253 7.9253 k = 0.1765-0.0334 0.1310 ( 9873 PWs) bands (ev): -12.2014 -12.2014 -11.9031 -11.9031 -9.9747 -9.9747 -9.3996 -9.3996 -9.1184 -9.1184 -9.0870 -9.0870 -8.8640 -8.8640 -8.7878 -8.7878 -5.5040 -5.5040 -4.2954 -4.2954 -3.1408 -3.1408 -3.0806 -3.0806 -2.5935 -2.5935 -2.3039 -2.3039 -1.9159 -1.9159 -1.7712 -1.7712 -1.6928 -1.6928 -1.4076 -1.4076 -1.2906 -1.2906 -1.1917 -1.1917 -0.8215 -0.8215 -0.7573 -0.7573 -0.3399 -0.3399 0.0315 0.0315 0.1414 0.1414 0.5360 0.5360 0.5841 0.5841 0.7873 0.7873 0.8322 0.8322 1.4341 1.4341 1.5981 1.5981 1.7072 1.7072 1.8793 1.8793 2.0382 2.0382 2.4070 2.4070 2.5096 2.5096 2.6094 2.6094 2.7892 2.7892 3.0833 3.0833 3.3644 3.3644 5.0347 5.0347 5.2711 5.2711 6.3477 6.3477 6.7868 6.7868 6.8330 6.8330 7.1378 7.1378 7.2876 7.2876 7.8835 7.8835 k = 0.1618-0.0306 0.1201 ( 9880 PWs) bands (ev): -12.2061 -12.2061 -11.9012 -11.9012 -9.9748 -9.9748 -9.4002 -9.4002 -9.1182 -9.1182 -9.0904 -9.0904 -8.8518 -8.8518 -8.7839 -8.7839 -5.5117 -5.5117 -4.2934 -4.2934 -3.1448 -3.1448 -3.0840 -3.0840 -2.5985 -2.5985 -2.3127 -2.3127 -1.9169 -1.9169 -1.7763 -1.7763 -1.7030 -1.7030 -1.4047 -1.4047 -1.2849 -1.2849 -1.1900 -1.1900 -0.8212 -0.8212 -0.7592 -0.7592 -0.3418 -0.3418 0.0350 0.0350 0.1446 0.1446 0.5371 0.5371 0.5818 0.5818 0.7894 0.7894 0.8358 0.8358 1.4310 1.4310 1.6028 1.6028 1.7224 1.7224 1.9058 1.9058 2.0399 2.0399 2.4311 2.4311 2.5059 2.5059 2.6068 2.6068 2.7888 2.7888 3.0928 3.0928 3.3495 3.3495 5.0035 5.0035 5.2743 5.2743 6.3543 6.3543 6.7794 6.7794 6.8312 6.8312 7.1280 7.1280 7.2623 7.2623 7.8367 7.8367 k = 0.1471-0.0278 0.1092 ( 9876 PWs) bands (ev): -12.2105 -12.2105 -11.8994 -11.8994 -9.9748 -9.9748 -9.4006 -9.4006 -9.1197 -9.1197 -9.0919 -9.0919 -8.8403 -8.8403 -8.7802 -8.7802 -5.5190 -5.5190 -4.2916 -4.2916 -3.1489 -3.1489 -3.0869 -3.0869 -2.6032 -2.6032 -2.3207 -2.3207 -1.9176 -1.9176 -1.7815 -1.7815 -1.7130 -1.7130 -1.4025 -1.4025 -1.2797 -1.2797 -1.1877 -1.1877 -0.8217 -0.8217 -0.7605 -0.7605 -0.3439 -0.3439 0.0387 0.0387 0.1481 0.1481 0.5375 0.5375 0.5807 0.5807 0.7899 0.7899 0.8404 0.8404 1.4258 1.4258 1.6092 1.6092 1.7333 1.7333 1.9336 1.9336 2.0442 2.0442 2.4452 2.4452 2.5094 2.5094 2.6044 2.6044 2.7881 2.7881 3.1021 3.1021 3.3356 3.3356 4.9745 4.9745 5.2780 5.2780 6.3609 6.3609 6.7713 6.7713 6.8311 6.8311 7.1171 7.1171 7.2346 7.2346 7.7887 7.7887 k = 0.1324-0.0250 0.0982 ( 9874 PWs) bands (ev): -12.2146 -12.2146 -11.8978 -11.8978 -9.9749 -9.9749 -9.4010 -9.4010 -9.1226 -9.1226 -9.0918 -9.0918 -8.8296 -8.8296 -8.7768 -8.7768 -5.5257 -5.5257 -4.2898 -4.2898 -3.1531 -3.1531 -3.0893 -3.0893 -2.6075 -2.6075 -2.3280 -2.3280 -1.9178 -1.9178 -1.7869 -1.7869 -1.7224 -1.7224 -1.4009 -1.4009 -1.2751 -1.2751 -1.1846 -1.1846 -0.8227 -0.8227 -0.7613 -0.7613 -0.3461 -0.3461 0.0424 0.0424 0.1518 0.1518 0.5372 0.5372 0.5807 0.5807 0.7893 0.7893 0.8458 0.8458 1.4191 1.4191 1.6169 1.6169 1.7414 1.7414 1.9600 1.9600 2.0517 2.0517 2.4458 2.4458 2.5238 2.5238 2.6021 2.6021 2.7872 2.7872 3.1110 3.1110 3.3227 3.3227 4.9479 4.9479 5.2820 5.2820 6.3678 6.3678 6.7630 6.7630 6.8324 6.8324 7.1053 7.1053 7.2053 7.2053 7.7417 7.7417 k = 0.1176-0.0223 0.0873 ( 9868 PWs) bands (ev): -12.2183 -12.2183 -11.8963 -11.8963 -9.9749 -9.9749 -9.4014 -9.4014 -9.1264 -9.1264 -9.0906 -9.0906 -8.8197 -8.8197 -8.7737 -8.7737 -5.5320 -5.5320 -4.2882 -4.2882 -3.1572 -3.1572 -3.0913 -3.0913 -2.6113 -2.6113 -2.3345 -2.3345 -1.9178 -1.9178 -1.7925 -1.7925 -1.7311 -1.7311 -1.4000 -1.4000 -1.2712 -1.2712 -1.1810 -1.1810 -0.8241 -0.8241 -0.7618 -0.7618 -0.3484 -0.3484 0.0461 0.0461 0.1556 0.1556 0.5364 0.5364 0.5814 0.5814 0.7878 0.7878 0.8515 0.8515 1.4117 1.4117 1.6250 1.6250 1.7479 1.7479 1.9826 1.9826 2.0629 2.0629 2.4383 2.4383 2.5438 2.5438 2.6004 2.6004 2.7861 2.7861 3.1196 3.1196 3.3109 3.3109 4.9237 4.9237 5.2862 5.2862 6.3749 6.3749 6.7550 6.7550 6.8347 6.8347 7.0924 7.0924 7.1757 7.1757 7.6972 7.6972 k = 0.1029-0.0195 0.0764 ( 9862 PWs) bands (ev): -12.2217 -12.2217 -11.8949 -11.8949 -9.9750 -9.9750 -9.4016 -9.4016 -9.1303 -9.1303 -9.0891 -9.0891 -8.8108 -8.8108 -8.7708 -8.7708 -5.5376 -5.5376 -4.2867 -4.2867 -3.1610 -3.1610 -3.0929 -3.0929 -2.6146 -2.6146 -2.3402 -2.3402 -1.9174 -1.9174 -1.7981 -1.7981 -1.7390 -1.7390 -1.3994 -1.3994 -1.2680 -1.2680 -1.1770 -1.1770 -0.8257 -0.8257 -0.7620 -0.7620 -0.3506 -0.3506 0.0496 0.0496 0.1593 0.1593 0.5354 0.5354 0.5827 0.5827 0.7858 0.7858 0.8571 0.8571 1.4041 1.4041 1.6329 1.6329 1.7535 1.7535 2.0005 2.0005 2.0777 2.0777 2.4277 2.4277 2.5628 2.5628 2.6003 2.6003 2.7848 2.7848 3.1276 3.1276 3.3001 3.3001 4.9022 4.9022 5.2905 5.2905 6.3823 6.3823 6.7474 6.7474 6.8377 6.8377 7.0782 7.0782 7.1475 7.1475 7.6561 7.6561 k = 0.0882-0.0167 0.0655 ( 9862 PWs) bands (ev): -12.2247 -12.2247 -11.8937 -11.8937 -9.9750 -9.9750 -9.4018 -9.4018 -9.1341 -9.1341 -9.0874 -9.0874 -8.8030 -8.8030 -8.7684 -8.7684 -5.5426 -5.5426 -4.2854 -4.2854 -3.1645 -3.1645 -3.0943 -3.0943 -2.6176 -2.6176 -2.3451 -2.3451 -1.9167 -1.9167 -1.8037 -1.8037 -1.7458 -1.7458 -1.3992 -1.3992 -1.2655 -1.2655 -1.1727 -1.1727 -0.8275 -0.8275 -0.7621 -0.7621 -0.3528 -0.3528 0.0529 0.0529 0.1629 0.1629 0.5343 0.5343 0.5843 0.5843 0.7836 0.7836 0.8624 0.8624 1.3968 1.3968 1.6401 1.6401 1.7585 1.7585 2.0143 2.0143 2.0944 2.0944 2.4165 2.4165 2.5754 2.5754 2.6055 2.6055 2.7834 2.7834 3.1350 3.1350 3.2904 3.2904 4.8834 4.8834 5.2946 5.2946 6.3898 6.3898 6.7404 6.7404 6.8412 6.8412 7.0624 7.0624 7.1223 7.1223 7.6191 7.6191 k = 0.0735-0.0139 0.0546 ( 9864 PWs) bands (ev): -12.2272 -12.2272 -11.8927 -11.8927 -9.9750 -9.9750 -9.4019 -9.4019 -9.1375 -9.1375 -9.0858 -9.0858 -8.7962 -8.7962 -8.7662 -8.7662 -5.5469 -5.5469 -4.2843 -4.2843 -3.1676 -3.1676 -3.0954 -3.0954 -2.6200 -2.6200 -2.3492 -2.3492 -1.9158 -1.9158 -1.8091 -1.8091 -1.7514 -1.7514 -1.3992 -1.3992 -1.2636 -1.2636 -1.1685 -1.1685 -0.8291 -0.8291 -0.7622 -0.7622 -0.3548 -0.3548 0.0557 0.0557 0.1662 0.1662 0.5332 0.5332 0.5859 0.5859 0.7813 0.7813 0.8673 0.8673 1.3901 1.3901 1.6463 1.6463 1.7630 1.7630 2.0252 2.0252 2.1107 2.1107 2.4057 2.4057 2.5790 2.5790 2.6178 2.6178 2.7821 2.7821 3.1417 3.1417 3.2819 3.2819 4.8674 4.8674 5.2983 5.2983 6.3972 6.3972 6.7340 6.7340 6.8450 6.8450 7.0448 7.0448 7.1015 7.1015 7.5869 7.5869 k = 0.0588-0.0111 0.0437 ( 9869 PWs) bands (ev): -12.2293 -12.2293 -11.8918 -11.8918 -9.9751 -9.9751 -9.4020 -9.4020 -9.1405 -9.1405 -9.0843 -9.0843 -8.7906 -8.7906 -8.7644 -8.7644 -5.5504 -5.5504 -4.2833 -4.2833 -3.1703 -3.1703 -3.0963 -3.0963 -2.6220 -2.6220 -2.3526 -2.3526 -1.9148 -1.9148 -1.8141 -1.8141 -1.7560 -1.7560 -1.3994 -1.3994 -1.2622 -1.2622 -1.1646 -1.1646 -0.8306 -0.8306 -0.7622 -0.7622 -0.3565 -0.3565 0.0582 0.0582 0.1691 0.1691 0.5323 0.5323 0.5875 0.5875 0.7791 0.7791 0.8714 0.8714 1.3843 1.3843 1.6513 1.6513 1.7671 1.7671 2.0341 2.0341 2.1251 2.1251 2.3961 2.3961 2.5785 2.5785 2.6316 2.6316 2.7807 2.7807 3.1475 3.1475 3.2746 3.2746 4.8542 4.8542 5.3017 5.3017 6.4042 6.4042 6.7284 6.7284 6.8490 6.8490 7.0265 7.0265 7.0857 7.0857 7.5599 7.5599 k = 0.0441-0.0083 0.0327 ( 9878 PWs) bands (ev): -12.2310 -12.2310 -11.8911 -11.8911 -9.9751 -9.9751 -9.4021 -9.4021 -9.1428 -9.1428 -9.0832 -9.0832 -8.7863 -8.7863 -8.7629 -8.7629 -5.5532 -5.5532 -4.2826 -4.2826 -3.1724 -3.1724 -3.0970 -3.0970 -2.6236 -2.6236 -2.3551 -2.3551 -1.9138 -1.9138 -1.8184 -1.8184 -1.7595 -1.7595 -1.3996 -1.3996 -1.2612 -1.2612 -1.1612 -1.1612 -0.8319 -0.8319 -0.7622 -0.7622 -0.3580 -0.3580 0.0601 0.0601 0.1715 0.1715 0.5316 0.5316 0.5888 0.5888 0.7773 0.7773 0.8748 0.8748 1.3796 1.3796 1.6552 1.6552 1.7706 1.7706 2.0415 2.0415 2.1365 2.1365 2.3882 2.3882 2.5770 2.5770 2.6437 2.6437 2.7795 2.7795 3.1524 3.1524 3.2687 3.2687 4.8439 4.8439 5.3044 5.3044 6.4104 6.4104 6.7237 6.7237 6.8529 6.8529 7.0093 7.0093 7.0742 7.0742 7.5385 7.5385 k = 0.0294-0.0056 0.0218 ( 9869 PWs) bands (ev): -12.2322 -12.2322 -11.8906 -11.8906 -9.9751 -9.9751 -9.4021 -9.4021 -9.1446 -9.1446 -9.0823 -9.0823 -8.7831 -8.7831 -8.7619 -8.7619 -5.5553 -5.5553 -4.2820 -4.2820 -3.1739 -3.1739 -3.0975 -3.0975 -2.6247 -2.6247 -2.3570 -2.3570 -1.9130 -1.9130 -1.8217 -1.8217 -1.7619 -1.7619 -1.3998 -1.3998 -1.2605 -1.2605 -1.1587 -1.1587 -0.8328 -0.8328 -0.7623 -0.7623 -0.3591 -0.3591 0.0615 0.0615 0.1733 0.1733 0.5311 0.5311 0.5898 0.5898 0.7759 0.7759 0.8773 0.8773 1.3762 1.3762 1.6578 1.6578 1.7733 1.7733 2.0471 2.0471 2.1446 2.1446 2.3825 2.3825 2.5756 2.5756 2.6529 2.6529 2.7785 2.7785 3.1560 3.1560 3.2644 3.2644 4.8365 4.8365 5.3065 5.3065 6.4153 6.4153 6.7201 6.7201 6.8563 6.8563 6.9954 6.9954 7.0664 7.0664 7.5229 7.5229 k = 0.0147-0.0028 0.0109 ( 9882 PWs) bands (ev): -12.2329 -12.2329 -11.8903 -11.8903 -9.9751 -9.9751 -9.4022 -9.4022 -9.1456 -9.1456 -9.0818 -9.0818 -8.7812 -8.7812 -8.7612 -8.7612 -5.5565 -5.5565 -4.2817 -4.2817 -3.1748 -3.1748 -3.0977 -3.0977 -2.6254 -2.6254 -2.3581 -2.3581 -1.9124 -1.9124 -1.8238 -1.8238 -1.7633 -1.7633 -1.3999 -1.3999 -1.2601 -1.2601 -1.1571 -1.1571 -0.8334 -0.8334 -0.7623 -0.7623 -0.3597 -0.3597 0.0623 0.0623 0.1744 0.1744 0.5308 0.5308 0.5905 0.5905 0.7750 0.7750 0.8789 0.8789 1.3741 1.3741 1.6593 1.6593 1.7750 1.7750 2.0507 2.0507 2.1494 2.1494 2.3789 2.3789 2.5746 2.5746 2.6585 2.6585 2.7779 2.7779 3.1582 3.1582 3.2617 3.2617 4.8321 4.8321 5.3077 5.3077 6.4184 6.4184 6.7179 6.7179 6.8586 6.8586 6.9863 6.9863 7.0618 7.0618 7.5136 7.5136 k = 0.0000 0.0000 0.0000 ( 9883 PWs) bands (ev): -12.2332 -12.2332 -11.8902 -11.8902 -9.9751 -9.9751 -9.4022 -9.4022 -9.1460 -9.1460 -9.0816 -9.0816 -8.7806 -8.7806 -8.7610 -8.7610 -5.5569 -5.5569 -4.2816 -4.2816 -3.1751 -3.1751 -3.0978 -3.0978 -2.6256 -2.6256 -2.3585 -2.3585 -1.9122 -1.9122 -1.8246 -1.8246 -1.7638 -1.7638 -1.4000 -1.4000 -1.2600 -1.2600 -1.1566 -1.1566 -0.8336 -0.8336 -0.7623 -0.7623 -0.3599 -0.3599 0.0626 0.0626 0.1748 0.1748 0.5307 0.5307 0.5907 0.5907 0.7746 0.7746 0.8794 0.8794 1.3734 1.3734 1.6598 1.6598 1.7756 1.7756 2.0519 2.0519 2.1509 2.1509 2.3778 2.3778 2.5742 2.5742 2.6604 2.6604 2.7777 2.7777 3.1590 3.1590 3.2608 3.2608 4.8306 4.8306 5.3082 5.3082 6.4195 6.4195 6.7171 6.7171 6.8595 6.8595 6.9832 6.9832 7.0602 7.0602 7.5104 7.5104 k = 0.0000 0.0000 0.0000 ( 9883 PWs) bands (ev): -12.2332 -12.2332 -11.8902 -11.8902 -9.9751 -9.9751 -9.4022 -9.4022 -9.1460 -9.1460 -9.0816 -9.0816 -8.7806 -8.7806 -8.7610 -8.7610 -5.5569 -5.5569 -4.2816 -4.2816 -3.1751 -3.1751 -3.0978 -3.0978 -2.6256 -2.6256 -2.3585 -2.3585 -1.9122 -1.9122 -1.8246 -1.8246 -1.7638 -1.7638 -1.4000 -1.4000 -1.2600 -1.2600 -1.1566 -1.1566 -0.8336 -0.8336 -0.7623 -0.7623 -0.3599 -0.3599 0.0626 0.0626 0.1748 0.1748 0.5307 0.5307 0.5907 0.5907 0.7746 0.7746 0.8794 0.8794 1.3734 1.3734 1.6598 1.6598 1.7756 1.7756 2.0519 2.0519 2.1509 2.1509 2.3778 2.3778 2.5742 2.5742 2.6604 2.6604 2.7777 2.7777 3.1590 3.1590 3.2608 3.2608 4.8306 4.8306 5.3082 5.3082 6.4195 6.4195 6.7171 6.7171 6.8595 6.8595 6.9832 6.9832 7.0602 7.0602 7.5104 7.5104 k = 0.0000 0.0154 0.0102 ( 9881 PWs) bands (ev): -12.2325 -12.2325 -11.8911 -11.8911 -9.9732 -9.9732 -9.4045 -9.4045 -9.1457 -9.1457 -9.0814 -9.0814 -8.7809 -8.7809 -8.7612 -8.7612 -5.5537 -5.5537 -4.2862 -4.2862 -3.1735 -3.1735 -3.0972 -3.0972 -2.6239 -2.6239 -2.3582 -2.3582 -1.9139 -1.9139 -1.8234 -1.8234 -1.7649 -1.7649 -1.4008 -1.4008 -1.2582 -1.2582 -1.1567 -1.1567 -0.8312 -0.8312 -0.7608 -0.7608 -0.3590 -0.3590 0.0606 0.0606 0.1725 0.1725 0.5058 0.5058 0.6077 0.6077 0.7763 0.7763 0.8836 0.8836 1.3742 1.3742 1.6588 1.6588 1.7745 1.7745 2.0476 2.0476 2.1525 2.1525 2.3807 2.3807 2.5723 2.5723 2.6590 2.6590 2.7789 2.7789 3.1591 3.1591 3.2593 3.2593 4.8328 4.8328 5.3065 5.3065 6.4208 6.4208 6.7170 6.7170 6.8589 6.8589 6.9894 6.9894 7.0633 7.0633 7.5115 7.5115 k = 0.0000 0.0308 0.0204 ( 9873 PWs) bands (ev): -12.2306 -12.2306 -11.8936 -11.8936 -9.9677 -9.9677 -9.4114 -9.4114 -9.1450 -9.1450 -9.0809 -9.0809 -8.7819 -8.7819 -8.7615 -8.7615 -5.5442 -5.5442 -4.2996 -4.2996 -3.1686 -3.1686 -3.0955 -3.0955 -2.6188 -2.6188 -2.3575 -2.3575 -1.9185 -1.9185 -1.8208 -1.8208 -1.7674 -1.7674 -1.4040 -1.4040 -1.2528 -1.2528 -1.1564 -1.1564 -0.8246 -0.8246 -0.7561 -0.7561 -0.3563 -0.3563 0.0546 0.0546 0.1655 0.1655 0.4596 0.4596 0.6311 0.6311 0.7799 0.7799 0.8971 0.8971 1.3766 1.3766 1.6555 1.6555 1.7716 1.7716 2.0364 2.0364 2.1560 2.1560 2.3892 2.3892 2.5666 2.5666 2.6548 2.6548 2.7825 2.7825 3.1594 3.1594 3.2548 3.2548 4.8393 4.8393 5.3017 5.3017 6.4248 6.4248 6.7158 6.7158 6.8595 6.8595 7.0056 7.0056 7.0733 7.0733 7.5150 7.5150 k = 0.0000 0.0461 0.0305 ( 9879 PWs) bands (ev): -12.2274 -12.2274 -11.8979 -11.8979 -9.9585 -9.9585 -9.4228 -9.4228 -9.1438 -9.1438 -9.0801 -9.0801 -8.7836 -8.7836 -8.7621 -8.7621 -5.5284 -5.5284 -4.3215 -4.3215 -3.1610 -3.1610 -3.0926 -3.0926 -2.6104 -2.6104 -2.3564 -2.3564 -1.9250 -1.9250 -1.8190 -1.8190 -1.7694 -1.7694 -1.4110 -1.4110 -1.2435 -1.2435 -1.1539 -1.1539 -0.8158 -0.8158 -0.7478 -0.7478 -0.3517 -0.3517 0.0449 0.0449 0.1540 0.1540 0.4071 0.4071 0.6482 0.6482 0.7829 0.7829 0.9205 0.9205 1.3794 1.3794 1.6492 1.6492 1.7681 1.7681 2.0213 2.0213 2.1589 2.1589 2.4028 2.4028 2.5573 2.5573 2.6482 2.6482 2.7880 2.7880 3.1597 3.1597 3.2478 3.2478 4.8502 4.8502 5.2938 5.2938 6.4313 6.4313 6.7122 6.7122 6.8655 6.8655 7.0265 7.0265 7.0920 7.0920 7.5210 7.5210 k = 0.0000 0.0615 0.0407 ( 9872 PWs) bands (ev): -12.2229 -12.2229 -11.9037 -11.9037 -9.9458 -9.9458 -9.4384 -9.4384 -9.1422 -9.1422 -9.0791 -9.0791 -8.7859 -8.7859 -8.7630 -8.7630 -5.5066 -5.5066 -4.3510 -4.3510 -3.1511 -3.1511 -3.0888 -3.0888 -2.5990 -2.5990 -2.3553 -2.3553 -1.9325 -1.9325 -1.8206 -1.8206 -1.7680 -1.7680 -1.4230 -1.4230 -1.2301 -1.2301 -1.1474 -1.1474 -0.8068 -0.8068 -0.7354 -0.7354 -0.3453 -0.3453 0.0320 0.0320 0.1380 0.1380 0.3521 0.3521 0.6590 0.6590 0.7835 0.7835 0.9522 0.9522 1.3815 1.3815 1.6389 1.6389 1.7656 1.7656 2.0050 2.0050 2.1595 2.1595 2.4201 2.4201 2.5446 2.5446 2.6397 2.6397 2.7948 2.7948 3.1599 3.1599 3.2387 3.2387 4.8653 4.8653 5.2833 5.2833 6.4403 6.4403 6.7055 6.7055 6.8793 6.8793 7.0481 7.0481 7.1208 7.1208 7.5299 7.5299 k = 0.0000 0.0769 0.0509 ( 9870 PWs) bands (ev): -12.2172 -12.2172 -11.9109 -11.9109 -9.9298 -9.9298 -9.4580 -9.4580 -9.1401 -9.1401 -9.0778 -9.0778 -8.7888 -8.7888 -8.7640 -8.7640 -5.4790 -5.4790 -4.3872 -4.3872 -3.1395 -3.1395 -3.0840 -3.0840 -2.5847 -2.5847 -2.3544 -2.3544 -1.9402 -1.9402 -1.8263 -1.8263 -1.7621 -1.7621 -1.4402 -1.4402 -1.2133 -1.2133 -1.1362 -1.1362 -0.7989 -0.7989 -0.7197 -0.7197 -0.3371 -0.3371 0.0166 0.0166 0.1178 0.1178 0.2963 0.2963 0.6656 0.6656 0.7817 0.7817 0.9893 0.9893 1.3812 1.3812 1.6240 1.6240 1.7652 1.7652 1.9898 1.9898 2.1574 2.1574 2.4393 2.4393 2.5288 2.5288 2.6304 2.6304 2.8022 2.8022 3.1595 3.1595 3.2287 3.2287 4.8847 4.8847 5.2706 5.2706 6.4518 6.4518 6.6961 6.6961 6.9008 6.9008 7.0697 7.0697 7.1587 7.1587 7.5419 7.5419 k = 0.0000 0.0923 0.0611 ( 9864 PWs) bands (ev): -12.2103 -12.2103 -11.9195 -11.9195 -9.9107 -9.9107 -9.4811 -9.4811 -9.1375 -9.1375 -9.0764 -9.0764 -8.7924 -8.7924 -8.7653 -8.7653 -5.4460 -5.4460 -4.4291 -4.4291 -3.1270 -3.1270 -3.0785 -3.0785 -2.5678 -2.5678 -2.3541 -2.3541 -1.9476 -1.9476 -1.8347 -1.8347 -1.7528 -1.7528 -1.4612 -1.4612 -1.1941 -1.1941 -1.1202 -1.1202 -0.7924 -0.7924 -0.7019 -0.7019 -0.3273 -0.3273 -0.0007 -0.0007 0.0935 0.0935 0.2412 0.2412 0.6696 0.6696 0.7783 0.7783 1.0287 1.0287 1.3767 1.3767 1.6042 1.6042 1.7676 1.7676 1.9775 1.9775 2.1525 2.1525 2.4568 2.4568 2.5106 2.5106 2.6223 2.6223 2.8097 2.8097 3.1574 3.1574 3.2192 3.2192 4.9083 4.9083 5.2560 5.2560 6.4654 6.4654 6.6852 6.6852 6.9288 6.9288 7.0923 7.0923 7.2034 7.2034 7.5576 7.5576 k = 0.0000 0.1077 0.0713 ( 9863 PWs) bands (ev): -12.2023 -12.2023 -11.9292 -11.9292 -9.8888 -9.8888 -9.5076 -9.5076 -9.1344 -9.1344 -9.0748 -9.0748 -8.7966 -8.7966 -8.7667 -8.7667 -5.4079 -5.4079 -4.4757 -4.4757 -3.1142 -3.1142 -3.0722 -3.0722 -2.5489 -2.5489 -2.3547 -2.3547 -1.9543 -1.9543 -1.8439 -1.8439 -1.7414 -1.7414 -1.4844 -1.4844 -1.1737 -1.1737 -1.1000 -1.1000 -0.7868 -0.7868 -0.6840 -0.6840 -0.3160 -0.3160 -0.0186 -0.0186 0.0654 0.0654 0.1880 0.1880 0.6721 0.6721 0.7741 0.7741 1.0682 1.0682 1.3668 1.3668 1.5797 1.5797 1.7729 1.7729 1.9698 1.9698 2.1452 2.1452 2.4656 2.4656 2.4928 2.4928 2.6188 2.6188 2.8169 2.8169 3.1523 3.1523 3.2123 3.2123 4.9358 4.9358 5.2402 5.2402 6.4810 6.4810 6.6736 6.6736 6.9619 6.9619 7.1166 7.1166 7.2528 7.2528 7.5772 7.5772 k = 0.0000 0.1230 0.0814 ( 9866 PWs) bands (ev): -12.1933 -12.1933 -11.9398 -11.9398 -9.8643 -9.8643 -9.5369 -9.5369 -9.1309 -9.1309 -9.0731 -9.0731 -8.8014 -8.8014 -8.7682 -8.7682 -5.3652 -5.3652 -4.5260 -4.5260 -3.1020 -3.1020 -3.0650 -3.0650 -2.5284 -2.5284 -2.3565 -2.3565 -1.9600 -1.9600 -1.8524 -1.8524 -1.7290 -1.7290 -1.5078 -1.5078 -1.1530 -1.1530 -1.0767 -1.0767 -0.7820 -0.7820 -0.6674 -0.6674 -0.3038 -0.3038 -0.0366 -0.0366 0.0343 0.0343 0.1380 0.1380 0.6737 0.6737 0.7695 0.7695 1.1062 1.1062 1.3511 1.3511 1.5505 1.5505 1.7811 1.7811 1.9672 1.9672 2.1359 2.1359 2.4537 2.4537 2.4830 2.4830 2.6240 2.6240 2.8234 2.8234 3.1431 3.1431 3.2096 3.2096 4.9671 4.9671 5.2235 5.2235 6.4981 6.4981 6.6622 6.6622 6.9990 6.9990 7.1427 7.1427 7.3058 7.3058 7.6007 7.6007 k = 0.0000 0.1384 0.0916 ( 9867 PWs) bands (ev): -12.1832 -12.1832 -11.9512 -11.9512 -9.8375 -9.8375 -9.5686 -9.5686 -9.1270 -9.1270 -9.0714 -9.0714 -8.8068 -8.8068 -8.7699 -8.7699 -5.3184 -5.3184 -4.5792 -4.5792 -3.0912 -3.0912 -3.0565 -3.0565 -2.5070 -2.5070 -2.3596 -2.3596 -1.9646 -1.9646 -1.8596 -1.8596 -1.7165 -1.7165 -1.5295 -1.5295 -1.1329 -1.1329 -1.0515 -1.0515 -0.7776 -0.7776 -0.6537 -0.6537 -0.2910 -0.2910 -0.0545 -0.0545 0.0023 0.0023 0.0925 0.0925 0.6748 0.6748 0.7649 0.7649 1.1408 1.1408 1.3305 1.3305 1.5168 1.5168 1.7917 1.7917 1.9700 1.9700 2.1251 2.1251 2.4288 2.4288 2.4719 2.4719 2.6391 2.6391 2.8290 2.8290 3.1303 3.1303 3.2110 3.2110 5.0019 5.0019 5.2065 5.2065 6.5163 6.5163 6.6517 6.6517 7.0394 7.0394 7.1698 7.1698 7.3614 7.3614 7.6279 7.6279 k = 0.0000 0.1538 0.1018 ( 9873 PWs) bands (ev): -12.1723 -12.1723 -11.9632 -11.9632 -9.8089 -9.8089 -9.6023 -9.6023 -9.1226 -9.1226 -9.0695 -9.0695 -8.8127 -8.8127 -8.7717 -8.7717 -5.2679 -5.2679 -4.6343 -4.6343 -3.0827 -3.0827 -3.0465 -3.0465 -2.4860 -2.4860 -2.3634 -2.3634 -1.9681 -1.9681 -1.8649 -1.8649 -1.7047 -1.7047 -1.5473 -1.5473 -1.1138 -1.1138 -1.0261 -1.0261 -0.7735 -0.7735 -0.6444 -0.6444 -0.2781 -0.2781 -0.0757 -0.0757 -0.0251 -0.0251 0.0524 0.0524 0.6757 0.6757 0.7608 0.7608 1.1693 1.1693 1.3077 1.3077 1.4792 1.4792 1.8040 1.8040 1.9773 1.9773 2.1131 2.1131 2.4000 2.4000 2.4535 2.4535 2.6611 2.6611 2.8336 2.8336 3.1155 3.1155 3.2156 3.2156 5.0399 5.0399 5.1896 5.1896 6.5351 6.5351 6.6427 6.6427 7.0825 7.0825 7.1974 7.1974 7.4190 7.4190 7.6582 7.6582 k = 0.0000 0.1692 0.1120 ( 9876 PWs) bands (ev): -12.1606 -12.1606 -11.9756 -11.9756 -9.7786 -9.7786 -9.6376 -9.6376 -9.1179 -9.1179 -9.0677 -9.0677 -8.8191 -8.8191 -8.7736 -8.7736 -5.2143 -5.2143 -4.6906 -4.6906 -3.0767 -3.0767 -3.0352 -3.0352 -2.4677 -2.4677 -2.3662 -2.3662 -1.9705 -1.9705 -1.8678 -1.8678 -1.6947 -1.6947 -1.5593 -1.5593 -1.0962 -1.0962 -1.0023 -1.0023 -0.7691 -0.7691 -0.6408 -0.6408 -0.2655 -0.2655 -0.1045 -0.1045 -0.0417 -0.0417 0.0191 0.0191 0.6764 0.6764 0.7572 0.7572 1.1848 1.1848 1.2893 1.2893 1.4390 1.4390 1.8169 1.8169 1.9878 1.9878 2.1006 2.1006 2.3696 2.3696 2.4297 2.4297 2.6865 2.6865 2.8371 2.8371 3.0998 3.0998 3.2224 3.2224 5.0804 5.0804 5.1735 5.1735 6.5533 6.5533 6.6363 6.6363 7.1280 7.1280 7.2249 7.2249 7.4777 7.4777 7.6906 7.6906 k = 0.0000 0.1846 0.1221 ( 9879 PWs) bands (ev): -12.1482 -12.1482 -11.9881 -11.9881 -9.7472 -9.7472 -9.6740 -9.6740 -9.1126 -9.1126 -9.0658 -9.0658 -8.8260 -8.8260 -8.7756 -8.7756 -5.1583 -5.1583 -4.7471 -4.7471 -3.0731 -3.0731 -3.0232 -3.0232 -2.4563 -2.4563 -2.3640 -2.3640 -1.9721 -1.9721 -1.8681 -1.8681 -1.6875 -1.6875 -1.5640 -1.5640 -1.0806 -1.0806 -0.9822 -0.9822 -0.7640 -0.7640 -0.6438 -0.6438 -0.2537 -0.2537 -0.1370 -0.1370 -0.0528 -0.0528 -0.0025 -0.0025 0.6769 0.6769 0.7543 0.7543 1.1766 1.1766 1.2853 1.2853 1.3984 1.3984 1.8291 1.8291 1.9996 1.9996 2.0888 2.0888 2.3386 2.3386 2.4029 2.4029 2.7128 2.7128 2.8397 2.8397 3.0839 3.0839 3.2309 3.2309 5.1216 5.1216 5.1597 5.1597 6.5688 6.5688 6.6346 6.6346 7.1750 7.1750 7.2522 7.2522 7.5366 7.5366 7.7238 7.7238 k = 0.0000 0.1999 0.1323 ( 9875 PWs) bands (ev): -12.1353 -12.1353 -12.0007 -12.0007 -9.7153 -9.7153 -9.7107 -9.7107 -9.1070 -9.1070 -9.0639 -9.0639 -8.8333 -8.8333 -8.7776 -8.7776 -5.1010 -5.1010 -4.8026 -4.8026 -3.0717 -3.0717 -3.0113 -3.0113 -2.4560 -2.4560 -2.3527 -2.3527 -1.9727 -1.9727 -1.8656 -1.8656 -1.6829 -1.6829 -1.5612 -1.5612 -1.0677 -1.0677 -0.9675 -0.9675 -0.7574 -0.7574 -0.6534 -0.6534 -0.2461 -0.2461 -0.1645 -0.1645 -0.0687 -0.0687 -0.0057 -0.0057 0.6774 0.6774 0.7521 0.7521 1.1470 1.1470 1.2889 1.2889 1.3635 1.3635 1.8389 1.8389 2.0085 2.0085 2.0808 2.0808 2.3080 2.3080 2.3751 2.3751 2.7382 2.7382 2.8416 2.8416 3.0683 3.0683 3.2408 3.2408 5.1374 5.1374 5.1744 5.1744 6.5789 6.5789 6.6405 6.6405 7.2213 7.2213 7.2808 7.2808 7.5942 7.5942 7.7565 7.7565 k = 0.0000 0.2153 0.1425 ( 9875 PWs) bands (ev): -12.1220 -12.1220 -12.0130 -12.0130 -9.7485 -9.7485 -9.6821 -9.6821 -9.1010 -9.1010 -9.0620 -9.0620 -8.8411 -8.8411 -8.7796 -8.7796 -5.0445 -5.0445 -4.8551 -4.8551 -3.0722 -3.0722 -2.9999 -2.9999 -2.4660 -2.4660 -2.3331 -2.3331 -1.9723 -1.9723 -1.8603 -1.8603 -1.6795 -1.6795 -1.5524 -1.5524 -1.0582 -1.0582 -0.9597 -0.9597 -0.7499 -0.7499 -0.6678 -0.6678 -0.2527 -0.2527 -0.1740 -0.1740 -0.0869 -0.0869 0.0051 0.0051 0.6779 0.6779 0.7505 0.7505 1.1066 1.1066 1.2751 1.2751 1.3502 1.3502 1.8448 1.8448 2.0085 2.0085 2.0819 2.0819 2.2785 2.2785 2.3483 2.3483 2.7615 2.7615 2.8431 2.8431 3.0532 3.0532 3.2518 3.2518 5.1260 5.1260 5.2189 5.2189 6.5829 6.5829 6.6548 6.6548 7.2619 7.2619 7.3148 7.3148 7.6483 7.6483 7.7879 7.7879 k = 0.0000 0.2307 0.1527 ( 9869 PWs) bands (ev): -12.1087 -12.1087 -12.0249 -12.0249 -9.7857 -9.7857 -9.6493 -9.6493 -9.0947 -9.0947 -9.0601 -9.0601 -8.8492 -8.8492 -8.7817 -8.7817 -4.9983 -4.9983 -4.8948 -4.8948 -3.0747 -3.0747 -2.9896 -2.9896 -2.4825 -2.4825 -2.3085 -2.3085 -1.9709 -1.9709 -1.8521 -1.8521 -1.6755 -1.6755 -1.5398 -1.5398 -1.0537 -1.0537 -0.9585 -0.9585 -0.7452 -0.7452 -0.6824 -0.6824 -0.2753 -0.2753 -0.1632 -0.1632 -0.1010 -0.1010 0.0229 0.0229 0.6784 0.6784 0.7492 0.7492 1.0613 1.0613 1.2406 1.2406 1.3579 1.3579 1.8448 1.8448 1.9981 1.9981 2.0932 2.0932 2.2499 2.2499 2.3255 2.3255 2.7813 2.7813 2.8451 2.8451 3.0388 3.0388 3.2638 3.2638 5.1141 5.1141 5.2661 5.2661 6.5836 6.5836 6.6747 6.6747 7.2922 7.2922 7.3577 7.3577 7.6955 7.6955 7.8183 7.8183 k = 0.0000 0.2461 0.1629 ( 9871 PWs) bands (ev): -12.0957 -12.0957 -12.0360 -12.0360 -9.8222 -9.8222 -9.6168 -9.6168 -9.0880 -9.0880 -9.0582 -9.0582 -8.8577 -8.8577 -8.7837 -8.7837 -5.0002 -5.0002 -4.8842 -4.8842 -3.0792 -3.0792 -2.9808 -2.9808 -2.5026 -2.5026 -2.2816 -2.2816 -1.9680 -1.9680 -1.8411 -1.8411 -1.6696 -1.6696 -1.5254 -1.5254 -1.0561 -1.0561 -0.9623 -0.9623 -0.7516 -0.7516 -0.6876 -0.6876 -0.3030 -0.3030 -0.1452 -0.1452 -0.1062 -0.1062 0.0445 0.0445 0.6788 0.6788 0.7478 0.7478 1.0140 1.0140 1.2004 1.2004 1.3702 1.3702 1.8372 1.8372 1.9824 1.9824 2.1093 2.1093 2.2222 2.2222 2.3090 2.3090 2.7964 2.7964 2.8484 2.8484 3.0252 3.0252 3.2765 3.2765 5.1033 5.1033 5.3138 5.3138 6.5836 6.5836 6.6976 6.6976 7.3146 7.3146 7.4054 7.4054 7.7309 7.7309 7.8484 7.8484 k = 0.0000 0.2615 0.1730 ( 9872 PWs) bands (ev): -12.0840 -12.0840 -12.0452 -12.0452 -9.8578 -9.8578 -9.5850 -9.5850 -9.0810 -9.0810 -9.0563 -9.0563 -8.8664 -8.8664 -8.7857 -8.7857 -5.0404 -5.0404 -4.8331 -4.8331 -3.0858 -3.0858 -2.9736 -2.9736 -2.5244 -2.5244 -2.2536 -2.2536 -1.9635 -1.9635 -1.8274 -1.8274 -1.6613 -1.6613 -1.5107 -1.5107 -1.0672 -1.0672 -0.9693 -0.9693 -0.7700 -0.7700 -0.6819 -0.6819 -0.3300 -0.3300 -0.1327 -0.1327 -0.0947 -0.0947 0.0679 0.0679 0.6792 0.6792 0.7454 0.7454 0.9672 0.9672 1.1596 1.1596 1.3817 1.3817 1.8208 1.8208 1.9660 1.9660 2.1235 2.1235 2.1983 2.1983 2.3002 2.3002 2.8057 2.8057 2.8536 2.8536 3.0126 3.0126 3.2900 3.2900 5.0938 5.0938 5.3614 5.3614 6.5843 6.5843 6.7224 6.7224 7.3326 7.3326 7.4521 7.4521 7.7492 7.7492 7.8787 7.8787 k = 0.0000 0.2768 0.1832 ( 9874 PWs) bands (ev): -12.0768 -12.0768 -12.0495 -12.0495 -9.8919 -9.8919 -9.5543 -9.5543 -9.0738 -9.0738 -9.0544 -9.0544 -8.8753 -8.8753 -8.7876 -8.7876 -5.0862 -5.0862 -4.7744 -4.7744 -3.0946 -3.0946 -2.9683 -2.9683 -2.5464 -2.5464 -2.2253 -2.2253 -1.9570 -1.9570 -1.8112 -1.8112 -1.6504 -1.6504 -1.4969 -1.4969 -1.0872 -1.0872 -0.9795 -0.9795 -0.7912 -0.7912 -0.6729 -0.6729 -0.3538 -0.3538 -0.1255 -0.1255 -0.0691 -0.0691 0.0918 0.0918 0.6791 0.6791 0.7407 0.7407 0.9243 0.9243 1.1197 1.1197 1.3910 1.3910 1.7961 1.7961 1.9510 1.9510 2.1231 2.1231 2.1893 2.1893 2.2986 2.2986 2.8098 2.8098 2.8600 2.8600 3.0011 3.0011 3.3037 3.3037 5.0857 5.0857 5.4080 5.4080 6.5860 6.5860 6.7486 6.7486 7.3475 7.3475 7.4939 7.4939 7.7471 7.7471 7.9098 7.9098 k = 0.0000 0.2922 0.1934 ( 9869 PWs) bands (ev): -12.0785 -12.0785 -12.0446 -12.0446 -9.9242 -9.9242 -9.5251 -9.5251 -9.0665 -9.0665 -9.0524 -9.0524 -8.8845 -8.8845 -8.7894 -8.7894 -5.1309 -5.1309 -4.7149 -4.7149 -3.1058 -3.1058 -2.9650 -2.9650 -2.5675 -2.5675 -2.1973 -2.1973 -1.9484 -1.9484 -1.7926 -1.7926 -1.6370 -1.6370 -1.4848 -1.4848 -1.1146 -1.1146 -0.9948 -0.9948 -0.8089 -0.8089 -0.6658 -0.6658 -0.3729 -0.3729 -0.1164 -0.1164 -0.0387 -0.0387 0.1150 0.1150 0.6774 0.6774 0.7321 0.7321 0.8892 0.8892 1.0811 1.0811 1.3977 1.3977 1.7648 1.7648 1.9380 1.9380 2.1028 2.1028 2.2010 2.2010 2.3023 2.3023 2.8107 2.8107 2.8656 2.8656 2.9911 2.9911 3.3177 3.3177 5.0789 5.0789 5.4530 5.4530 6.5889 6.5889 6.7762 6.7762 7.3595 7.3595 7.5278 7.5278 7.7260 7.7260 7.9458 7.9458 k = 0.0000 0.3076 0.2036 ( 9864 PWs) bands (ev): -12.0851 -12.0851 -12.0347 -12.0347 -9.9544 -9.9544 -9.4978 -9.4978 -9.0596 -9.0596 -9.0498 -9.0498 -8.8938 -8.8938 -8.7911 -8.7911 -5.1729 -5.1729 -4.6567 -4.6567 -3.1192 -3.1192 -2.9634 -2.9634 -2.5869 -2.5869 -2.1704 -2.1704 -1.9374 -1.9374 -1.7720 -1.7720 -1.6217 -1.6217 -1.4749 -1.4749 -1.1473 -1.1473 -1.0169 -1.0169 -0.8200 -0.8200 -0.6625 -0.6625 -0.3859 -0.3859 -0.1039 -0.1039 -0.0073 -0.0073 0.1364 0.1364 0.6706 0.6706 0.7210 0.7210 0.8654 0.8654 1.0439 1.0439 1.4016 1.4016 1.7294 1.7294 1.9268 1.9268 2.0753 2.0753 2.2206 2.2206 2.3098 2.3098 2.8098 2.8098 2.8688 2.8688 2.9827 2.9827 3.3314 3.3314 5.0734 5.0734 5.4956 5.4956 6.5929 6.5929 6.8050 6.8050 7.3684 7.3684 7.5521 7.5521 7.6921 7.6921 7.9902 7.9902 k = 0.0000 0.3230 0.2138 ( 9863 PWs) bands (ev): -12.0923 -12.0923 -12.0240 -12.0240 -9.9819 -9.9819 -9.4726 -9.4726 -9.0546 -9.0546 -9.0453 -9.0453 -8.9032 -8.9032 -8.7927 -8.7927 -5.2113 -5.2113 -4.6011 -4.6011 -3.1346 -3.1346 -2.9633 -2.9633 -2.6038 -2.6038 -2.1452 -2.1452 -1.9241 -1.9241 -1.7498 -1.7498 -1.6050 -1.6050 -1.4673 -1.4673 -1.1834 -1.1834 -1.0452 -1.0452 -0.8246 -0.8246 -0.6636 -0.6636 -0.3926 -0.3926 -0.0885 -0.0885 0.0236 0.0236 0.1549 0.1549 0.6536 0.6536 0.7138 0.7138 0.8531 0.8531 1.0085 1.0085 1.4029 1.4029 1.6927 1.6927 1.9169 1.9169 2.0474 2.0474 2.2420 2.2420 2.3193 2.3193 2.8082 2.8082 2.8689 2.8689 2.9763 2.9763 3.3446 3.3446 5.0691 5.0691 5.5354 5.5354 6.5978 6.5978 6.8352 6.8352 7.3732 7.3732 7.5664 7.5664 7.6531 7.6531 8.0432 8.0432 k = 0.0000 0.3384 0.2239 ( 9874 PWs) bands (ev): -12.0991 -12.0991 -12.0138 -12.0138 -10.0066 -10.0066 -9.4501 -9.4501 -9.0518 -9.0518 -9.0385 -9.0385 -8.9126 -8.9126 -8.7940 -8.7940 -5.2455 -5.2455 -4.5491 -4.5491 -3.1516 -3.1516 -2.9643 -2.9643 -2.6181 -2.6181 -2.1223 -2.1223 -1.9085 -1.9085 -1.7264 -1.7264 -1.5879 -1.5879 -1.4617 -1.4617 -1.2212 -1.2212 -1.0778 -1.0778 -0.8246 -0.8246 -0.6684 -0.6684 -0.3934 -0.3934 -0.0713 -0.0713 0.0529 0.0529 0.1695 0.1695 0.6284 0.6284 0.7131 0.7131 0.8492 0.8492 0.9750 0.9750 1.4019 1.4019 1.6566 1.6566 1.9082 1.9082 2.0212 2.0212 2.2632 2.2632 2.3295 2.3295 2.8065 2.8065 2.8659 2.8659 2.9718 2.9718 3.3569 3.3569 5.0657 5.0657 5.5714 5.5714 6.6033 6.6033 6.8665 6.8665 7.3728 7.3728 7.5681 7.5681 7.6191 7.6191 8.1029 8.1029 k = 0.0000 0.3537 0.2341 ( 9870 PWs) bands (ev): -12.1052 -12.1052 -12.0046 -12.0046 -10.0281 -10.0281 -9.4304 -9.4304 -9.0502 -9.0502 -9.0306 -9.0306 -8.9219 -8.9219 -8.7952 -8.7952 -5.2753 -5.2753 -4.5020 -4.5020 -3.1692 -3.1692 -2.9660 -2.9660 -2.6296 -2.6296 -2.1025 -2.1025 -1.8909 -1.8909 -1.7028 -1.7028 -1.5715 -1.5715 -1.4567 -1.4567 -1.2591 -1.2591 -1.1123 -1.1123 -0.8218 -0.8218 -0.6755 -0.6755 -0.3897 -0.3897 -0.0537 -0.0537 0.0797 0.0797 0.1792 0.1792 0.6021 0.6021 0.7162 0.7162 0.8501 0.8501 0.9438 0.9438 1.3988 1.3988 1.6232 1.6232 1.9007 1.9007 1.9977 1.9977 2.2831 2.2831 2.3394 2.3394 2.8050 2.8050 2.8606 2.8606 2.9689 2.9689 3.3680 3.3680 5.0632 5.0632 5.6033 5.6033 6.6091 6.6091 6.8989 6.8989 7.3654 7.3654 7.5499 7.5499 7.6042 7.6042 8.1657 8.1657 k = 0.0000 0.3691 0.2443 ( 9872 PWs) bands (ev): -12.1102 -12.1102 -11.9967 -11.9967 -10.0461 -10.0461 -9.4139 -9.4139 -9.0491 -9.0491 -9.0225 -9.0225 -8.9310 -8.9310 -8.7962 -8.7962 -5.3001 -5.3001 -4.4610 -4.4610 -3.1864 -3.1864 -2.9679 -2.9679 -2.6385 -2.6385 -2.0861 -2.0861 -1.8720 -1.8720 -1.6804 -1.6804 -1.5568 -1.5568 -1.4513 -1.4513 -1.2954 -1.2954 -1.1468 -1.1468 -0.8179 -0.8179 -0.6834 -0.6834 -0.3832 -0.3832 -0.0368 -0.0368 0.1033 0.1033 0.1837 0.1837 0.5794 0.5794 0.7213 0.7213 0.8533 0.8533 0.9157 0.9157 1.3941 1.3941 1.5940 1.5940 1.8944 1.8944 1.9777 1.9777 2.3011 2.3011 2.3481 2.3481 2.8041 2.8041 2.8536 2.8536 2.9671 2.9671 3.3775 3.3775 5.0613 5.0613 5.6302 5.6302 6.6146 6.6146 6.9316 6.9316 7.3496 7.3496 7.5240 7.5240 7.6021 7.6021 8.2227 8.2227 k = 0.0000 0.3845 0.2545 ( 9870 PWs) bands (ev): -12.1142 -12.1142 -11.9904 -11.9904 -10.0604 -10.0604 -9.4008 -9.4008 -9.0483 -9.0483 -9.0146 -9.0146 -8.9395 -8.9395 -8.7970 -8.7970 -5.3197 -5.3197 -4.4272 -4.4272 -3.2018 -3.2018 -2.9697 -2.9697 -2.6451 -2.6451 -2.0734 -2.0734 -1.8533 -1.8533 -1.6617 -1.6617 -1.5433 -1.5433 -1.4457 -1.4457 -1.3276 -1.3276 -1.1794 -1.1794 -0.8140 -0.8140 -0.6906 -0.6906 -0.3757 -0.3757 -0.0219 -0.0219 0.1232 0.1232 0.1832 0.1832 0.5623 0.5623 0.7276 0.7276 0.8568 0.8568 0.8917 0.8917 1.3886 1.3886 1.5705 1.5705 1.8893 1.8893 1.9618 1.9618 2.3164 2.3164 2.3550 2.3550 2.8040 2.8040 2.8462 2.8462 2.9661 2.9661 3.3852 3.3852 5.0600 5.0600 5.6518 5.6518 6.6195 6.6195 6.9636 6.9636 7.3262 7.3262 7.5039 7.5039 7.6024 7.6024 8.2539 8.2539 k = 0.0000 0.3999 0.2646 ( 9864 PWs) bands (ev): -12.1171 -12.1171 -11.9857 -11.9857 -10.0707 -10.0707 -9.3913 -9.3913 -9.0477 -9.0477 -9.0075 -9.0075 -8.9471 -8.9471 -8.7976 -8.7976 -5.3339 -5.3339 -4.4020 -4.4020 -3.2141 -3.2141 -2.9712 -2.9712 -2.6495 -2.6495 -2.0645 -2.0645 -1.8367 -1.8367 -1.6490 -1.6490 -1.5284 -1.5284 -1.4445 -1.4445 -1.3506 -1.3506 -1.2078 -1.2078 -0.8109 -0.8109 -0.6962 -0.6962 -0.3690 -0.3690 -0.0100 -0.0100 0.1391 0.1391 0.1792 0.1792 0.5510 0.5510 0.7341 0.7341 0.8570 0.8570 0.8755 0.8755 1.3834 1.3834 1.5533 1.5533 1.8857 1.8857 1.9501 1.9501 2.3284 2.3284 2.3598 2.3598 2.8047 2.8047 2.8393 2.8393 2.9656 2.9656 3.3909 3.3909 5.0592 5.0592 5.6675 5.6675 6.6234 6.6234 6.9925 6.9925 7.3000 7.3000 7.4911 7.4911 7.6030 7.6030 8.2689 8.2689 k = 0.0000 0.4153 0.2748 ( 9866 PWs) bands (ev): -12.1189 -12.1189 -11.9829 -11.9829 -10.0770 -10.0770 -9.3856 -9.3856 -9.0474 -9.0474 -9.0021 -9.0021 -8.9528 -8.9528 -8.7980 -8.7980 -5.3425 -5.3425 -4.3864 -4.3864 -3.2220 -3.2220 -2.9721 -2.9721 -2.6521 -2.6521 -2.0592 -2.0592 -1.8249 -1.8249 -1.6430 -1.6430 -1.5110 -1.5110 -1.4535 -1.4535 -1.3599 -1.3599 -1.2284 -1.2284 -0.8089 -0.8089 -0.6997 -0.6997 -0.3643 -0.3643 -0.0023 -0.0023 0.1507 0.1507 0.1736 0.1736 0.5449 0.5449 0.7394 0.7394 0.8504 0.8504 0.8714 0.8714 1.3795 1.3795 1.5430 1.5430 1.8834 1.8834 1.9430 1.9430 2.3362 2.3362 2.3624 2.3624 2.8058 2.8058 2.8342 2.8342 2.9653 2.9653 3.3943 3.3943 5.0587 5.0587 5.6771 5.6771 6.6259 6.6259 7.0139 7.0139 7.2786 7.2786 7.4844 7.4844 7.6035 7.6035 8.2769 8.2769 k = 0.0000 0.4306 0.2850 ( 9864 PWs) bands (ev): -12.1195 -12.1195 -11.9819 -11.9819 -10.0791 -10.0791 -9.3837 -9.3837 -9.0473 -9.0473 -9.0000 -9.0000 -8.9549 -8.9549 -8.7981 -8.7981 -5.3453 -5.3453 -4.3811 -4.3811 -3.2247 -3.2247 -2.9725 -2.9725 -2.6529 -2.6529 -2.0574 -2.0574 -1.8206 -1.8206 -1.6414 -1.6414 -1.4996 -1.4996 -1.4629 -1.4629 -1.3609 -1.3609 -1.2362 -1.2362 -0.8082 -0.8082 -0.7009 -0.7009 -0.3626 -0.3626 0.0004 0.0004 0.1561 0.1561 0.1699 0.1699 0.5429 0.5429 0.7415 0.7415 0.8466 0.8466 0.8713 0.8713 1.3781 1.3781 1.5395 1.5395 1.8827 1.8827 1.9407 1.9407 2.3389 2.3389 2.3632 2.3632 2.8064 2.8064 2.8322 2.8322 2.9652 2.9652 3.3955 3.3955 5.0586 5.0586 5.6803 5.6803 6.6267 6.6267 7.0221 7.0221 7.2702 7.2702 7.4823 7.4823 7.6036 7.6036 8.2795 8.2795 k = 0.5000 0.3361 0.2829 ( 9824 PWs) bands (ev): -12.0292 -12.0292 -12.0121 -12.0121 -9.7355 -9.7355 -9.7102 -9.7102 -9.1184 -9.1184 -9.0636 -9.0636 -9.0355 -9.0355 -8.8746 -8.8746 -4.8090 -4.8090 -4.7540 -4.7540 -3.0730 -3.0730 -3.0512 -3.0512 -2.3644 -2.3644 -2.3209 -2.3209 -1.9078 -1.9078 -1.8823 -1.8823 -1.5736 -1.5736 -1.5403 -1.5403 -1.0055 -1.0055 -1.0049 -1.0049 -0.7138 -0.7138 -0.6957 -0.6957 -0.1810 -0.1810 -0.1370 -0.1370 -0.0526 -0.0526 -0.0050 -0.0050 0.6335 0.6335 0.7184 0.7184 1.1093 1.1093 1.1883 1.1883 1.4729 1.4729 1.5161 1.5161 1.6913 1.6913 2.0866 2.0866 2.1813 2.1813 2.2447 2.2447 2.6639 2.6639 2.7845 2.7845 3.1823 3.1823 3.5043 3.5043 4.9996 4.9996 5.2202 5.2202 6.6056 6.6056 6.7531 6.7531 7.3936 7.3936 7.4930 7.4930 7.5817 7.5817 7.6730 7.6730 k = 0.4861 0.3267 0.2750 ( 9820 PWs) bands (ev): -12.0315 -12.0315 -12.0100 -12.0100 -9.7385 -9.7385 -9.7072 -9.7072 -9.1184 -9.1184 -9.0637 -9.0637 -9.0351 -9.0351 -8.8742 -8.8742 -4.8171 -4.8171 -4.7466 -4.7466 -3.0731 -3.0731 -3.0513 -3.0513 -2.3670 -2.3670 -2.3182 -2.3182 -1.9086 -1.9086 -1.8815 -1.8815 -1.5756 -1.5756 -1.5392 -1.5392 -1.0117 -1.0117 -1.0001 -1.0001 -0.7176 -0.7176 -0.6917 -0.6917 -0.1822 -0.1822 -0.1354 -0.1354 -0.0522 -0.0522 -0.0041 -0.0041 0.6337 0.6337 0.7187 0.7187 1.1091 1.1091 1.1887 1.1887 1.4654 1.4654 1.5234 1.5234 1.6933 1.6933 2.0862 2.0862 2.1824 2.1824 2.2451 2.2451 2.6633 2.6633 2.7842 2.7842 3.1820 3.1820 3.5036 3.5036 4.9994 4.9994 5.2204 5.2204 6.6048 6.6048 6.7530 6.7530 7.3898 7.3898 7.4901 7.4901 7.5830 7.5830 7.6771 7.6771 k = 0.4722 0.3174 0.2672 ( 9819 PWs) bands (ev): -12.0366 -12.0366 -12.0055 -12.0055 -9.7450 -9.7450 -9.7002 -9.7002 -9.1187 -9.1187 -9.0642 -9.0642 -9.0338 -9.0338 -8.8731 -8.8731 -4.8347 -4.8347 -4.7309 -4.7309 -3.0733 -3.0733 -3.0515 -3.0515 -2.3735 -2.3735 -2.3115 -2.3115 -1.9109 -1.9109 -1.8793 -1.8793 -1.5808 -1.5808 -1.5368 -1.5368 -1.0194 -1.0194 -0.9965 -0.9965 -0.7247 -0.7247 -0.6839 -0.6839 -0.1854 -0.1854 -0.1313 -0.1313 -0.0510 -0.0510 -0.0013 -0.0013 0.6343 0.6343 0.7193 0.7193 1.1087 1.1087 1.1900 1.1900 1.4503 1.4503 1.5381 1.5381 1.6993 1.6993 2.0849 2.0849 2.1856 2.1856 2.2465 2.2465 2.6616 2.6616 2.7835 2.7835 3.1810 3.1810 3.5014 3.5014 4.9987 4.9987 5.2210 5.2210 6.6023 6.6023 6.7529 6.7529 7.3793 7.3793 7.4807 7.4807 7.5886 7.5886 7.6878 7.6878 k = 0.4583 0.3081 0.2593 ( 9820 PWs) bands (ev): -12.0427 -12.0427 -12.0002 -12.0002 -9.7528 -9.7528 -9.6918 -9.6918 -9.1190 -9.1190 -9.0650 -9.0650 -9.0316 -9.0316 -8.8712 -8.8712 -4.8560 -4.8560 -4.7129 -4.7129 -3.0736 -3.0736 -3.0518 -3.0518 -2.3819 -2.3819 -2.3029 -2.3029 -1.9141 -1.9141 -1.8763 -1.8763 -1.5882 -1.5882 -1.5340 -1.5340 -1.0282 -1.0282 -0.9946 -0.9946 -0.7320 -0.7320 -0.6755 -0.6755 -0.1896 -0.1896 -0.1254 -0.1254 -0.0489 -0.0489 0.0032 0.0032 0.6354 0.6354 0.7203 0.7203 1.1082 1.1082 1.1917 1.1917 1.4336 1.4336 1.5542 1.5542 1.7091 1.7091 2.0827 2.0827 2.1910 2.1910 2.2489 2.2489 2.6589 2.6589 2.7824 2.7824 3.1795 3.1795 3.4978 3.4978 4.9975 4.9975 5.2220 5.2220 6.5982 6.5982 6.7526 6.7526 7.3644 7.3644 7.4646 7.4646 7.5994 7.5994 7.7022 7.7022 k = 0.4444 0.2987 0.2515 ( 9820 PWs) bands (ev): -12.0494 -12.0494 -11.9948 -11.9948 -9.7610 -9.7610 -9.6826 -9.6826 -9.1194 -9.1194 -9.0661 -9.0661 -9.0285 -9.0285 -8.8686 -8.8686 -4.8791 -4.8791 -4.6944 -4.6944 -3.0740 -3.0740 -3.0523 -3.0523 -2.3911 -2.3911 -2.2935 -2.2935 -1.9177 -1.9177 -1.8729 -1.8729 -1.5968 -1.5968 -1.5317 -1.5317 -1.0379 -1.0379 -0.9946 -0.9946 -0.7388 -0.7388 -0.6673 -0.6673 -0.1943 -0.1943 -0.1187 -0.1187 -0.0456 -0.0456 0.0093 0.0093 0.6369 0.6369 0.7217 0.7217 1.1082 1.1082 1.1935 1.1935 1.4174 1.4174 1.5703 1.5703 1.7222 1.7222 2.0793 2.0793 2.1982 2.1982 2.2528 2.2528 2.6552 2.6552 2.7808 2.7808 3.1774 3.1774 3.4927 3.4927 4.9959 4.9959 5.2232 5.2232 6.5924 6.5924 6.7520 6.7520 7.3467 7.3467 7.4437 7.4437 7.6138 7.6138 7.7179 7.7179 k = 0.4306 0.2894 0.2436 ( 9822 PWs) bands (ev): -12.0564 -12.0564 -11.9893 -11.9893 -9.7695 -9.7695 -9.6730 -9.6730 -9.1199 -9.1199 -9.0676 -9.0676 -9.0244 -9.0244 -8.8654 -8.8654 -4.9033 -4.9033 -4.6759 -4.6759 -3.0745 -3.0745 -3.0530 -3.0530 -2.4007 -2.4007 -2.2839 -2.2839 -1.9214 -1.9214 -1.8692 -1.8692 -1.6061 -1.6061 -1.5301 -1.5301 -1.0483 -1.0483 -0.9965 -0.9965 -0.7446 -0.7446 -0.6598 -0.6598 -0.1991 -0.1991 -0.1115 -0.1115 -0.0411 -0.0411 0.0168 0.0168 0.6387 0.6387 0.7233 0.7233 1.1089 1.1089 1.1950 1.1950 1.4027 1.4027 1.5859 1.5859 1.7383 1.7383 2.0747 2.0747 2.2064 2.2064 2.2586 2.2586 2.6506 2.6506 2.7788 2.7788 3.1749 3.1749 3.4862 3.4862 4.9938 4.9938 5.2248 5.2248 6.5851 6.5851 6.7512 6.7512 7.3274 7.3274 7.4203 7.4203 7.6298 7.6298 7.7335 7.7335 k = 0.4167 0.2801 0.2357 ( 9820 PWs) bands (ev): -12.0637 -12.0637 -11.9840 -11.9840 -9.7781 -9.7781 -9.6630 -9.6630 -9.1205 -9.1205 -9.0694 -9.0694 -9.0194 -9.0194 -8.8617 -8.8617 -4.9285 -4.9285 -4.6576 -4.6576 -3.0751 -3.0751 -3.0539 -3.0539 -2.4104 -2.4104 -2.2745 -2.2745 -1.9250 -1.9250 -1.8652 -1.8652 -1.6157 -1.6157 -1.5294 -1.5294 -1.0594 -1.0594 -1.0002 -1.0002 -0.7495 -0.7495 -0.6533 -0.6533 -0.2037 -0.2037 -0.1041 -0.1041 -0.0352 -0.0352 0.0257 0.0257 0.6410 0.6410 0.7250 0.7250 1.1105 1.1105 1.1957 1.1957 1.3902 1.3902 1.6008 1.6008 1.7569 1.7569 2.0690 2.0690 2.2146 2.2146 2.2673 2.2673 2.6453 2.6453 2.7765 2.7765 3.1720 3.1720 3.4784 3.4784 4.9913 4.9913 5.2265 5.2265 6.5763 6.5763 6.7500 6.7500 7.3071 7.3071 7.3963 7.3963 7.6452 7.6452 7.7481 7.7481 k = 0.4028 0.2707 0.2279 ( 9822 PWs) bands (ev): -12.0711 -12.0711 -11.9787 -11.9787 -9.7867 -9.7867 -9.6527 -9.6527 -9.1211 -9.1211 -9.0715 -9.0715 -9.0135 -9.0135 -8.8576 -8.8576 -4.9544 -4.9544 -4.6396 -4.6396 -3.0759 -3.0759 -3.0550 -3.0550 -2.4202 -2.4202 -2.2656 -2.2656 -1.9285 -1.9285 -1.8611 -1.8611 -1.6254 -1.6254 -1.5297 -1.5297 -1.0710 -1.0710 -1.0057 -1.0057 -0.7535 -0.7535 -0.6479 -0.6479 -0.2082 -0.2082 -0.0967 -0.0967 -0.0280 -0.0280 0.0359 0.0359 0.6434 0.6434 0.7269 0.7269 1.1131 1.1131 1.1956 1.1956 1.3805 1.3805 1.6152 1.6152 1.7772 1.7772 2.0621 2.0621 2.2217 2.2217 2.2799 2.2799 2.6393 2.6393 2.7740 2.7740 3.1687 3.1687 3.4692 3.4692 4.9883 4.9883 5.2282 5.2282 6.5661 6.5661 6.7482 6.7482 7.2859 7.2859 7.3729 7.3729 7.6580 7.6580 7.7613 7.7613 k = 0.3889 0.2614 0.2200 ( 9824 PWs) bands (ev): -12.0787 -12.0787 -11.9736 -11.9736 -9.7954 -9.7954 -9.6422 -9.6422 -9.1218 -9.1218 -9.0737 -9.0737 -9.0068 -9.0068 -8.8530 -8.8530 -4.9810 -4.9810 -4.6219 -4.6219 -3.0767 -3.0767 -3.0563 -3.0563 -2.4301 -2.4301 -2.2575 -2.2575 -1.9316 -1.9316 -1.8568 -1.8568 -1.6347 -1.6347 -1.5308 -1.5308 -1.0830 -1.0830 -1.0129 -1.0129 -0.7566 -0.7566 -0.6439 -0.6439 -0.2125 -0.2125 -0.0892 -0.0892 -0.0195 -0.0195 0.0472 0.0472 0.6461 0.6461 0.7287 0.7287 1.1164 1.1164 1.1951 1.1951 1.3740 1.3740 1.6290 1.6290 1.7989 1.7989 2.0543 2.0543 2.2271 2.2271 2.2963 2.2963 2.6328 2.6328 2.7714 2.7714 3.1653 3.1653 3.4588 3.4588 4.9850 4.9850 5.2300 5.2300 6.5546 6.5546 6.7456 6.7456 7.2642 7.2642 7.3512 7.3512 7.6658 7.6658 7.7732 7.7732 k = 0.3750 0.2521 0.2122 ( 9821 PWs) bands (ev): -12.0864 -12.0864 -11.9686 -11.9686 -9.8041 -9.8041 -9.6313 -9.6313 -9.1224 -9.1224 -9.0762 -9.0762 -8.9993 -8.9993 -8.8482 -8.8482 -5.0082 -5.0082 -4.6045 -4.6045 -3.0777 -3.0777 -3.0579 -3.0579 -2.4399 -2.4399 -2.2505 -2.2505 -1.9343 -1.9343 -1.8522 -1.8522 -1.6436 -1.6436 -1.5328 -1.5328 -1.0953 -1.0953 -1.0215 -1.0215 -0.7591 -0.7591 -0.6413 -0.6413 -0.2166 -0.2166 -0.0816 -0.0816 -0.0099 -0.0099 0.0596 0.0596 0.6489 0.6489 0.7305 0.7305 1.1195 1.1195 1.1950 1.1950 1.3710 1.3710 1.6422 1.6422 1.8215 1.8215 2.0454 2.0454 2.2312 2.2312 2.3160 2.3160 2.6260 2.6260 2.7689 2.7689 3.1618 3.1618 3.4471 3.4471 4.9812 4.9812 5.2316 5.2316 6.5421 6.5421 6.7423 6.7423 7.2420 7.2420 7.3318 7.3318 7.6668 7.6668 7.7845 7.7845 k = 0.3611 0.2427 0.2043 ( 9826 PWs) bands (ev): -12.0942 -12.0942 -11.9637 -11.9637 -9.8129 -9.8129 -9.6203 -9.6203 -9.1229 -9.1229 -9.0788 -9.0788 -8.9911 -8.9911 -8.8432 -8.8432 -5.0358 -5.0358 -4.5873 -4.5873 -3.0788 -3.0788 -3.0598 -3.0598 -2.4497 -2.4497 -2.2447 -2.2447 -1.9366 -1.9366 -1.8472 -1.8472 -1.6516 -1.6516 -1.5356 -1.5356 -1.1079 -1.1079 -1.0312 -1.0312 -0.7611 -0.7611 -0.6402 -0.6402 -0.2207 -0.2207 -0.0737 -0.0737 0.0005 0.0005 0.0729 0.0729 0.6517 0.6517 0.7322 0.7322 1.1210 1.1210 1.1969 1.1969 1.3715 1.3715 1.6548 1.6548 1.8444 1.8444 2.0358 2.0358 2.2346 2.2346 2.3381 2.3381 2.6189 2.6189 2.7665 2.7665 3.1583 3.1583 3.4343 3.4343 4.9771 4.9771 5.2331 5.2331 6.5288 6.5288 6.7380 6.7380 7.2198 7.2198 7.3148 7.3148 7.6597 7.6597 7.7956 7.7956 k = 0.3472 0.2334 0.1965 ( 9829 PWs) bands (ev): -12.1021 -12.1021 -11.9590 -11.9590 -9.8218 -9.8218 -9.6091 -9.6091 -9.1234 -9.1234 -9.0814 -9.0814 -8.9822 -8.9822 -8.8380 -8.8380 -5.0639 -5.0639 -4.5703 -4.5703 -3.0800 -3.0800 -3.0619 -3.0619 -2.4595 -2.4595 -2.2404 -2.2404 -1.9384 -1.9384 -1.8419 -1.8419 -1.6586 -1.6586 -1.5390 -1.5390 -1.1206 -1.1206 -1.0420 -1.0420 -0.7627 -0.7627 -0.6405 -0.6405 -0.2248 -0.2248 -0.0655 -0.0655 0.0114 0.0114 0.0871 0.0871 0.6544 0.6544 0.7339 0.7339 1.1193 1.1193 1.2027 1.2027 1.3753 1.3753 1.6667 1.6667 1.8672 1.8672 2.0254 2.0254 2.2379 2.2379 2.3617 2.3617 2.6119 2.6119 2.7646 2.7646 3.1548 3.1548 3.4205 3.4205 4.9726 4.9726 5.2343 5.2343 6.5150 6.5150 6.7326 6.7326 7.1980 7.1980 7.3002 7.3002 7.6448 7.6448 7.8065 7.8065 k = 0.3333 0.2241 0.1886 ( 9828 PWs) bands (ev): -12.1100 -12.1100 -11.9543 -11.9543 -9.8306 -9.8306 -9.5977 -9.5977 -9.1238 -9.1238 -9.0840 -9.0840 -8.9727 -8.9727 -8.8327 -8.8327 -5.0922 -5.0922 -4.5536 -4.5536 -3.0813 -3.0813 -3.0643 -3.0643 -2.4692 -2.4692 -2.2378 -2.2378 -1.9397 -1.9397 -1.8364 -1.8364 -1.6644 -1.6644 -1.5429 -1.5429 -1.1332 -1.1332 -1.0534 -1.0534 -0.7642 -0.7642 -0.6421 -0.6421 -0.2292 -0.2292 -0.0569 -0.0569 0.0228 0.0228 0.1022 0.1022 0.6570 0.6570 0.7354 0.7354 1.1140 1.1140 1.2130 1.2130 1.3822 1.3822 1.6780 1.6780 1.8891 1.8891 2.0149 2.0149 2.2415 2.2415 2.3861 2.3861 2.6050 2.6050 2.7630 2.7630 3.1516 3.1516 3.4058 3.4058 4.9677 4.9677 5.2353 5.2353 6.5010 6.5010 6.7262 6.7262 7.1771 7.1771 7.2876 7.2876 7.6235 7.6235 7.8166 7.8166 k = 0.3194 0.2147 0.1807 ( 9832 PWs) bands (ev): -12.1179 -12.1179 -11.9498 -11.9498 -9.8395 -9.8395 -9.5861 -9.5861 -9.1242 -9.1242 -9.0866 -9.0866 -8.9627 -8.9627 -8.8275 -8.8275 -5.1208 -5.1208 -4.5371 -4.5371 -3.0828 -3.0828 -3.0670 -3.0670 -2.4790 -2.4790 -2.2369 -2.2369 -1.9405 -1.9405 -1.8307 -1.8307 -1.6688 -1.6688 -1.5469 -1.5469 -1.1458 -1.1458 -1.0654 -1.0654 -0.7656 -0.7656 -0.6450 -0.6450 -0.2337 -0.2337 -0.0479 -0.0479 0.0342 0.0342 0.1181 0.1181 0.6593 0.6593 0.7369 0.7369 1.1055 1.1055 1.2274 1.2274 1.3920 1.3920 1.6884 1.6884 1.9089 1.9089 2.0050 2.0050 2.2458 2.2458 2.4106 2.4106 2.5986 2.5986 2.7621 2.7621 3.1485 3.1485 3.3904 3.3904 4.9626 4.9626 5.2360 5.2360 6.4871 6.4871 6.7187 6.7187 7.1573 7.1573 7.2767 7.2767 7.5971 7.5971 7.8253 7.8253 k = 0.3056 0.2054 0.1729 ( 9839 PWs) bands (ev): -12.1258 -12.1258 -11.9454 -11.9454 -9.8483 -9.8483 -9.5745 -9.5745 -9.1244 -9.1244 -9.0892 -9.0892 -8.9523 -8.9523 -8.8223 -8.8223 -5.1495 -5.1495 -4.5207 -4.5207 -3.0846 -3.0846 -3.0698 -3.0698 -2.4886 -2.4886 -2.2377 -2.2377 -1.9408 -1.9408 -1.8250 -1.8250 -1.6718 -1.6718 -1.5509 -1.5509 -1.1582 -1.1582 -1.0777 -1.0777 -0.7670 -0.7670 -0.6490 -0.6490 -0.2385 -0.2385 -0.0386 -0.0386 0.0456 0.0456 0.1348 0.1348 0.6615 0.6615 0.7385 0.7385 1.0947 1.0947 1.2450 1.2450 1.4045 1.4045 1.6980 1.6980 1.9239 1.9239 1.9984 1.9984 2.2511 2.2511 2.4344 2.4344 2.5930 2.5930 2.7619 2.7619 3.1458 3.1458 3.3744 3.3744 4.9571 4.9571 5.2365 5.2365 6.4736 6.4736 6.7104 6.7104 7.1388 7.1388 7.2670 7.2670 7.5671 7.5671 7.8320 7.8320 k = 0.2917 0.1960 0.1650 ( 9856 PWs) bands (ev): -12.1337 -12.1337 -11.9411 -11.9411 -9.8572 -9.8572 -9.5628 -9.5628 -9.1247 -9.1247 -9.0916 -9.0916 -8.9415 -8.9415 -8.8172 -8.8172 -5.1781 -5.1781 -4.5045 -4.5045 -3.0866 -3.0866 -3.0727 -3.0727 -2.4982 -2.4982 -2.2402 -2.2402 -1.9408 -1.9408 -1.8196 -1.8196 -1.6735 -1.6735 -1.5542 -1.5542 -1.1703 -1.1703 -1.0901 -1.0901 -0.7686 -0.7686 -0.6540 -0.6540 -0.2437 -0.2437 -0.0292 -0.0292 0.0568 0.0568 0.1523 0.1523 0.6633 0.6633 0.7401 0.7401 1.0822 1.0822 1.2648 1.2648 1.4194 1.4194 1.7064 1.7064 1.9296 1.9296 1.9995 1.9995 2.2577 2.2577 2.4566 2.4566 2.5887 2.5887 2.7624 2.7624 3.1434 3.1434 3.3581 3.3581 4.9514 4.9514 5.2369 5.2369 6.4610 6.4610 6.7013 6.7013 7.1216 7.1216 7.2582 7.2582 7.5346 7.5346 7.8362 7.8362 k = 0.2778 0.1867 0.1572 ( 9857 PWs) bands (ev): -12.1415 -12.1415 -11.9370 -11.9370 -9.8659 -9.8659 -9.5511 -9.5511 -9.1248 -9.1248 -9.0938 -9.0938 -8.9305 -8.9305 -8.8122 -8.8122 -5.2065 -5.2065 -4.4885 -4.4885 -3.0891 -3.0891 -3.0756 -3.0756 -2.5078 -2.5078 -2.2442 -2.2442 -1.9404 -1.9404 -1.8146 -1.8146 -1.6745 -1.6745 -1.5563 -1.5563 -1.1819 -1.1819 -1.1025 -1.1025 -0.7703 -0.7703 -0.6597 -0.6597 -0.2492 -0.2492 -0.0199 -0.0199 0.0677 0.0677 0.1704 0.1704 0.6649 0.6649 0.7418 0.7418 1.0686 1.0686 1.2862 1.2862 1.4367 1.4367 1.7137 1.7137 1.9247 1.9247 2.0099 2.0099 2.2657 2.2657 2.4763 2.4763 2.5861 2.5861 2.7638 2.7638 3.1413 3.1413 3.3417 3.3417 4.9453 4.9453 5.2372 5.2372 6.4493 6.4493 6.6918 6.6918 7.1057 7.1057 7.2498 7.2498 7.5005 7.5005 7.8376 7.8376 k = 0.2639 0.1774 0.1493 ( 9855 PWs) bands (ev): -12.1491 -12.1491 -11.9330 -11.9330 -9.8746 -9.8746 -9.5394 -9.5394 -9.1251 -9.1251 -9.0957 -9.0957 -8.9192 -8.9192 -8.8075 -8.8075 -5.2347 -5.2347 -4.4727 -4.4727 -3.0921 -3.0921 -3.0784 -3.0784 -2.5172 -2.5172 -2.2495 -2.2495 -1.9398 -1.9398 -1.8102 -1.8102 -1.6754 -1.6754 -1.5563 -1.5563 -1.1930 -1.1930 -1.1147 -1.1147 -0.7723 -0.7723 -0.6660 -0.6660 -0.2550 -0.2550 -0.0107 -0.0107 0.0781 0.0781 0.1891 0.1891 0.6663 0.6663 0.7437 0.7437 1.0542 1.0542 1.3084 1.3084 1.4559 1.4559 1.7196 1.7196 1.9135 1.9135 2.0254 2.0254 2.2752 2.2752 2.4923 2.4923 2.5861 2.5861 2.7662 2.7662 3.1396 3.1396 3.3256 3.3256 4.9390 4.9390 5.2375 5.2375 6.4390 6.4390 6.6820 6.6820 7.0907 7.0907 7.2414 7.2414 7.4657 7.4657 7.8358 7.8358 k = 0.2500 0.1680 0.1414 ( 9856 PWs) bands (ev): -12.1566 -12.1566 -11.9291 -11.9291 -9.8832 -9.8832 -9.5279 -9.5279 -9.1254 -9.1254 -9.0973 -9.0973 -8.9079 -8.9079 -8.8029 -8.8029 -5.2626 -5.2626 -4.4571 -4.4571 -3.0958 -3.0958 -3.0808 -3.0808 -2.5265 -2.5265 -2.2559 -2.2559 -1.9390 -1.9390 -1.8063 -1.8063 -1.6773 -1.6773 -1.5533 -1.5533 -1.2035 -1.2035 -1.1266 -1.1266 -0.7745 -0.7745 -0.6726 -0.6726 -0.2611 -0.2611 -0.0019 -0.0019 0.0880 0.0880 0.2085 0.2085 0.6673 0.6673 0.7459 0.7459 1.0391 1.0391 1.3309 1.3309 1.4769 1.4769 1.7236 1.7236 1.9001 1.9001 2.0428 2.0428 2.2860 2.2860 2.5038 2.5038 2.5890 2.5890 2.7696 2.7696 3.1381 3.1381 3.3101 3.3101 4.9325 4.9325 5.2380 5.2380 6.4300 6.4300 6.6724 6.6724 7.0765 7.0765 7.2326 7.2326 7.4308 7.4308 7.8307 7.8307 k = 0.2361 0.1587 0.1336 ( 9858 PWs) bands (ev): -12.1639 -12.1639 -11.9253 -11.9253 -9.8916 -9.8916 -9.5165 -9.5165 -9.1259 -9.1259 -9.0984 -9.0984 -8.8965 -8.8965 -8.7986 -8.7986 -5.2898 -5.2898 -4.4417 -4.4417 -3.1002 -3.1002 -3.0829 -3.0829 -2.5356 -2.5356 -2.2632 -2.2632 -1.9380 -1.9380 -1.8030 -1.8030 -1.6809 -1.6809 -1.5469 -1.5469 -1.2133 -1.2133 -1.1381 -1.1381 -0.7770 -0.7770 -0.6796 -0.6796 -0.2674 -0.2674 0.0064 0.0064 0.0974 0.0974 0.2283 0.2283 0.6682 0.6682 0.7483 0.7483 1.0235 1.0235 1.3532 1.3532 1.4991 1.4991 1.7254 1.7254 1.8870 1.8870 2.0604 2.0604 2.2980 2.2980 2.5108 2.5108 2.5945 2.5945 2.7739 2.7739 3.1368 3.1368 3.2957 3.2957 4.9257 4.9257 5.2389 5.2389 6.4226 6.4226 6.6633 6.6633 7.0627 7.0627 7.2230 7.2230 7.3963 7.3963 7.8219 7.8219 k = 0.2222 0.1494 0.1257 ( 9864 PWs) bands (ev): -12.1710 -12.1710 -11.9217 -11.9217 -9.8998 -9.8998 -9.5053 -9.5053 -9.1267 -9.1267 -9.0990 -9.0990 -8.8852 -8.8852 -8.7945 -8.7945 -5.3165 -5.3165 -4.4267 -4.4267 -3.1050 -3.1050 -3.0847 -3.0847 -2.5445 -2.5445 -2.2710 -2.2710 -1.9368 -1.9368 -1.8001 -1.8001 -1.6865 -1.6865 -1.5370 -1.5370 -1.2222 -1.2222 -1.1491 -1.1491 -0.7798 -0.7798 -0.6867 -0.6867 -0.2740 -0.2740 0.0141 0.0141 0.1063 0.1063 0.2485 0.2485 0.6687 0.6687 0.7510 0.7510 1.0077 1.0077 1.3748 1.3748 1.5218 1.5218 1.7245 1.7245 1.8759 1.8759 2.0779 2.0779 2.3109 2.3109 2.5143 2.5143 2.6015 2.6015 2.7791 2.7791 3.1355 3.1355 3.2827 3.2827 4.9187 4.9187 5.2402 5.2402 6.4169 6.4169 6.6549 6.6549 7.0489 7.0489 7.2123 7.2123 7.3629 7.3629 7.8095 7.8095 k = 0.2083 0.1400 0.1179 ( 9868 PWs) bands (ev): -12.1779 -12.1779 -11.9182 -11.9182 -9.9078 -9.9078 -9.4944 -9.4944 -9.1277 -9.1277 -9.0991 -9.0991 -8.8741 -8.8741 -8.7907 -8.7907 -5.3423 -5.3423 -4.4119 -4.4119 -3.1104 -3.1104 -3.0863 -3.0863 -2.5531 -2.5531 -2.2793 -2.2793 -1.9356 -1.9356 -1.7974 -1.7974 -1.6941 -1.6941 -1.5241 -1.5241 -1.2301 -1.2301 -1.1595 -1.1595 -0.7828 -0.7828 -0.6938 -0.6938 -0.2808 -0.2808 0.0211 0.0211 0.1146 0.1146 0.2690 0.2690 0.6689 0.6689 0.7540 0.7540 0.9917 0.9917 1.3952 1.3952 1.5445 1.5445 1.7210 1.7210 1.8679 1.8679 2.0948 2.0948 2.3244 2.3244 2.5155 2.5155 2.6086 2.6086 2.7850 2.7850 3.1342 3.1342 3.2716 3.2716 4.9114 4.9114 5.2421 5.2421 6.4126 6.4126 6.6475 6.6475 7.0350 7.0350 7.2004 7.2004 7.3310 7.3310 7.7934 7.7934 k = 0.1944 0.1307 0.1100 ( 9868 PWs) bands (ev): -12.1844 -12.1844 -11.9149 -11.9149 -9.9156 -9.9156 -9.4839 -9.4839 -9.1290 -9.1290 -9.0986 -9.0986 -8.8632 -8.8632 -8.7872 -8.7872 -5.3673 -5.3673 -4.3976 -4.3976 -3.1160 -3.1160 -3.0878 -3.0878 -2.5615 -2.5615 -2.2877 -2.2877 -1.9342 -1.9342 -1.7949 -1.7949 -1.7033 -1.7033 -1.5091 -1.5091 -1.2369 -1.2369 -1.1693 -1.1693 -0.7861 -0.7861 -0.7009 -0.7009 -0.2877 -0.2877 0.0275 0.0275 0.1223 0.1223 0.2897 0.2897 0.6687 0.6687 0.7572 0.7572 0.9758 0.9758 1.4137 1.4137 1.5661 1.5661 1.7156 1.7156 1.8640 1.8640 2.1111 2.1111 2.3381 2.3381 2.5156 2.5156 2.6149 2.6149 2.7910 2.7910 3.1328 3.1328 3.2627 3.2627 4.9041 4.9041 5.2448 5.2448 6.4099 6.4099 6.6416 6.6416 7.0206 7.0206 7.1869 7.1869 7.3010 7.3010 7.7738 7.7738 k = 0.1806 0.1214 0.1022 ( 9870 PWs) bands (ev): -12.1907 -12.1907 -11.9117 -11.9117 -9.9230 -9.9230 -9.4738 -9.4738 -9.1305 -9.1305 -9.0978 -9.0978 -8.8526 -8.8526 -8.7840 -8.7840 -5.3912 -5.3912 -4.3837 -4.3837 -3.1219 -3.1219 -3.0891 -3.0891 -2.5695 -2.5695 -2.2961 -2.2961 -1.9328 -1.9328 -1.7925 -1.7925 -1.7136 -1.7136 -1.4928 -1.4928 -1.2424 -1.2424 -1.1783 -1.1783 -0.7896 -0.7896 -0.7077 -0.7077 -0.2948 -0.2948 0.0331 0.0331 0.1295 0.1295 0.3105 0.3105 0.6682 0.6682 0.7606 0.7606 0.9602 0.9602 1.4296 1.4296 1.5853 1.5853 1.7100 1.7100 1.8640 1.8640 2.1265 2.1265 2.3515 2.3515 2.5152 2.5152 2.6203 2.6203 2.7966 2.7966 3.1315 3.1315 3.2562 3.2562 4.8966 4.8966 5.2481 5.2481 6.4085 6.4085 6.6374 6.6374 7.0055 7.0055 7.1720 7.1720 7.2730 7.2730 7.7511 7.7511 k = 0.1667 0.1120 0.0943 ( 9859 PWs) bands (ev): -12.1966 -12.1966 -11.9087 -11.9087 -9.9301 -9.9301 -9.4641 -9.4641 -9.1322 -9.1322 -9.0966 -9.0966 -8.8424 -8.8424 -8.7810 -8.7810 -5.4139 -5.4139 -4.3704 -4.3704 -3.1278 -3.1278 -3.0903 -3.0903 -2.5771 -2.5771 -2.3044 -2.3044 -1.9312 -1.9312 -1.7901 -1.7901 -1.7245 -1.7245 -1.4762 -1.4762 -1.2466 -1.2466 -1.1863 -1.1863 -0.7934 -0.7934 -0.7144 -0.7144 -0.3019 -0.3019 0.0382 0.0382 0.1361 0.1361 0.3312 0.3312 0.6671 0.6671 0.7639 0.7639 0.9451 0.9451 1.4419 1.4419 1.6009 1.6009 1.7067 1.7067 1.8678 1.8678 2.1407 2.1407 2.3642 2.3642 2.5147 2.5147 2.6247 2.6247 2.8013 2.8013 3.1304 3.1304 3.2519 3.2519 4.8890 4.8890 5.2523 5.2523 6.4082 6.4082 6.6352 6.6352 6.9897 6.9897 7.1559 7.1559 7.2470 7.2470 7.7258 7.7258 k = 0.1528 0.1027 0.0864 ( 9859 PWs) bands (ev): -12.2022 -12.2022 -11.9059 -11.9059 -9.9368 -9.9368 -9.4549 -9.4549 -9.1339 -9.1339 -9.0951 -9.0951 -8.8328 -8.8328 -8.7783 -8.7783 -5.4353 -5.4353 -4.3576 -4.3576 -3.1339 -3.1339 -3.0915 -3.0915 -2.5844 -2.5844 -2.3123 -2.3123 -1.9296 -1.9296 -1.7879 -1.7879 -1.7358 -1.7358 -1.4600 -1.4600 -1.2493 -1.2493 -1.1932 -1.1932 -0.7973 -0.7973 -0.7208 -0.7208 -0.3090 -0.3090 0.0426 0.0426 0.1422 0.1422 0.3519 0.3519 0.6653 0.6653 0.7672 0.7672 0.9310 0.9310 1.4498 1.4498 1.6117 1.6117 1.7082 1.7082 1.8750 1.8750 2.1536 2.1536 2.3757 2.3757 2.5147 2.5147 2.6285 2.6285 2.8045 2.8045 3.1300 3.1300 3.2496 3.2496 4.8815 4.8815 5.2571 5.2571 6.4088 6.4088 6.6351 6.6351 6.9732 6.9732 7.1389 7.1389 7.2228 7.2228 7.6988 7.6988 k = 0.1389 0.0934 0.0786 ( 9857 PWs) bands (ev): -12.2073 -12.2073 -11.9033 -11.9033 -9.9431 -9.9431 -9.4463 -9.4463 -9.1356 -9.1356 -9.0935 -9.0935 -8.8238 -8.8238 -8.7758 -8.7758 -5.4553 -5.4553 -4.3456 -4.3456 -3.1398 -3.1398 -3.0925 -3.0925 -2.5911 -2.5911 -2.3198 -2.3198 -1.9278 -1.9278 -1.7860 -1.7860 -1.7468 -1.7468 -1.4452 -1.4452 -1.2506 -1.2506 -1.1985 -1.1985 -0.8014 -0.8014 -0.7269 -0.7269 -0.3161 -0.3161 0.0464 0.0464 0.1478 0.1478 0.3723 0.3723 0.6628 0.6628 0.7702 0.7702 0.9181 0.9181 1.4524 1.4524 1.6187 1.6187 1.7145 1.7145 1.8852 1.8852 2.1647 2.1647 2.3852 2.3852 2.5155 2.5155 2.6320 2.6320 2.8062 2.8062 3.1305 3.1305 3.2490 3.2490 4.8741 4.8741 5.2626 5.2626 6.4099 6.4099 6.6373 6.6373 6.9563 6.9563 7.1214 7.1214 7.2001 7.2001 7.6710 7.6710 k = 0.1250 0.0840 0.0707 ( 9860 PWs) bands (ev): -12.2121 -12.2121 -11.9009 -11.9009 -9.9489 -9.9489 -9.4383 -9.4383 -9.1373 -9.1373 -9.0917 -9.0917 -8.8154 -8.8154 -8.7735 -8.7735 -5.4738 -5.4738 -4.3343 -4.3343 -3.1456 -3.1456 -3.0935 -3.0935 -2.5974 -2.5974 -2.3268 -2.3268 -1.9260 -1.9260 -1.7847 -1.7847 -1.7570 -1.7570 -1.4324 -1.4324 -1.2509 -1.2509 -1.2017 -1.2017 -0.8056 -0.8056 -0.7327 -0.7327 -0.3230 -0.3230 0.0497 0.0497 0.1529 0.1529 0.3924 0.3924 0.6593 0.6593 0.7727 0.7727 0.9068 0.9068 1.4497 1.4497 1.6240 1.6240 1.7239 1.7239 1.8984 1.8984 2.1738 2.1738 2.3922 2.3922 2.5179 2.5179 2.6356 2.6356 2.8060 2.8060 3.1320 3.1320 3.2495 3.2495 4.8669 4.8669 5.2686 5.2686 6.4114 6.4114 6.6419 6.6419 6.9394 6.9394 7.1037 7.1037 7.1785 7.1785 7.6434 7.6434 k = 0.1111 0.0747 0.0629 ( 9852 PWs) bands (ev): -12.2164 -12.2164 -11.8987 -11.8987 -9.9542 -9.9542 -9.4310 -9.4310 -9.1390 -9.1390 -9.0900 -9.0900 -8.8078 -8.8078 -8.7714 -8.7714 -5.4907 -5.4907 -4.3239 -4.3239 -3.1511 -3.1511 -3.0943 -3.0943 -2.6031 -2.6031 -2.3333 -2.3333 -1.9240 -1.9240 -1.7853 -1.7853 -1.7650 -1.7650 -1.4219 -1.4219 -1.2508 -1.2508 -1.2021 -1.2021 -0.8099 -0.8099 -0.7381 -0.7381 -0.3296 -0.3296 0.0526 0.0526 0.1574 0.1574 0.4121 0.4121 0.6547 0.6547 0.7746 0.7746 0.8975 0.8975 1.4424 1.4424 1.6291 1.6291 1.7342 1.7342 1.9141 1.9141 2.1803 2.1803 2.3962 2.3962 2.5222 2.5222 2.6392 2.6392 2.8043 2.8043 3.1346 3.1346 3.2508 3.2508 4.8601 4.8601 5.2748 5.2748 6.4130 6.4130 6.6488 6.6488 6.9230 6.9230 7.0861 7.0861 7.1580 7.1580 7.6169 7.6169 k = 0.0972 0.0653 0.0550 ( 9856 PWs) bands (ev): -12.2203 -12.2203 -11.8968 -11.8968 -9.9589 -9.9589 -9.4245 -9.4245 -9.1405 -9.1405 -9.0883 -9.0883 -8.8011 -8.8011 -8.7695 -8.7695 -5.5058 -5.5058 -4.3144 -4.3144 -3.1562 -3.1562 -3.0951 -3.0951 -2.6082 -2.6082 -2.3390 -2.3390 -1.9220 -1.9220 -1.7895 -1.7895 -1.7688 -1.7688 -1.4140 -1.4140 -1.2511 -1.2511 -1.1991 -1.1991 -0.8141 -0.8141 -0.7432 -0.7432 -0.3359 -0.3359 0.0550 0.0550 0.1614 0.1614 0.4313 0.4313 0.6489 0.6489 0.7758 0.7758 0.8902 0.8902 1.4320 1.4320 1.6347 1.6347 1.7441 1.7441 1.9322 1.9322 2.1842 2.1842 2.3971 2.3971 2.5285 2.5285 2.6430 2.6430 2.8012 2.8012 3.1381 3.1381 3.2526 3.2526 4.8538 4.8538 5.2812 5.2812 6.4145 6.4145 6.6578 6.6578 6.9076 6.9076 7.0689 7.0689 7.1384 7.1384 7.5924 7.5924 k = 0.0833 0.0560 0.0471 ( 9861 PWs) bands (ev): -12.2236 -12.2236 -11.8951 -11.8951 -9.9631 -9.9631 -9.4187 -9.4187 -9.1419 -9.1419 -9.0867 -9.0867 -8.7954 -8.7954 -8.7677 -8.7677 -5.5191 -5.5191 -4.3060 -4.3060 -3.1609 -3.1609 -3.0958 -3.0958 -2.6127 -2.6127 -2.3441 -2.3441 -1.9200 -1.9200 -1.7965 -1.7965 -1.7691 -1.7691 -1.4084 -1.4084 -1.2523 -1.2523 -1.1932 -1.1932 -0.8183 -0.8183 -0.7479 -0.7479 -0.3418 -0.3418 0.0571 0.0571 0.1649 0.1649 0.4500 0.4500 0.6417 0.6417 0.7763 0.7763 0.8851 0.8851 1.4201 1.4201 1.6404 1.6404 1.7528 1.7528 1.9521 1.9521 2.1850 2.1850 2.3954 2.3954 2.5366 2.5366 2.6467 2.6467 2.7972 2.7972 3.1421 3.1421 3.2544 3.2544 4.8480 4.8480 5.2873 5.2873 6.4159 6.4159 6.6683 6.6683 6.8936 6.8936 7.0519 7.0519 7.1199 7.1199 7.5706 7.5706 k = 0.0694 0.0467 0.0393 ( 9866 PWs) bands (ev): -12.2265 -12.2265 -11.8936 -11.8936 -9.9667 -9.9667 -9.4137 -9.4137 -9.1431 -9.1431 -9.0852 -9.0852 -8.7906 -8.7906 -8.7660 -8.7660 -5.5305 -5.5305 -4.2987 -4.2987 -3.1651 -3.1651 -3.0964 -3.0964 -2.6166 -2.6166 -2.3485 -2.3485 -1.9181 -1.9181 -1.8040 -1.8040 -1.7681 -1.7681 -1.4046 -1.4046 -1.2540 -1.2540 -1.1853 -1.1853 -0.8223 -0.8223 -0.7520 -0.7520 -0.3470 -0.3470 0.0588 0.0588 0.1679 0.1679 0.4681 0.4681 0.6331 0.6331 0.7762 0.7762 0.8818 0.8818 1.4079 1.4079 1.6459 1.6459 1.7600 1.7600 1.9731 1.9731 2.1829 2.1829 2.3919 2.3919 2.5455 2.5455 2.6504 2.6504 2.7926 2.7926 3.1463 3.1463 3.2562 3.2562 4.8429 4.8429 5.2931 5.2931 6.4170 6.4170 6.6797 6.6797 6.8818 6.8818 7.0356 7.0356 7.1031 7.1031 7.5519 7.5519 k = 0.0556 0.0373 0.0314 ( 9860 PWs) bands (ev): -12.2289 -12.2289 -11.8924 -11.8924 -9.9697 -9.9697 -9.4096 -9.4096 -9.1441 -9.1441 -9.0840 -9.0840 -8.7868 -8.7868 -8.7644 -8.7644 -5.5399 -5.5399 -4.2927 -4.2927 -3.1686 -3.1686 -3.0969 -3.0969 -2.6198 -2.6198 -2.3520 -2.3520 -1.9162 -1.9162 -1.8109 -1.8109 -1.7668 -1.7668 -1.4023 -1.4023 -1.2558 -1.2558 -1.1767 -1.1767 -0.8259 -0.8259 -0.7556 -0.7556 -0.3515 -0.3515 0.0602 0.0602 0.1704 0.1704 0.4853 0.4853 0.6235 0.6235 0.7759 0.7759 0.8801 0.8801 1.3965 1.3965 1.6507 1.6507 1.7658 1.7658 1.9945 1.9945 2.1778 2.1778 2.3878 2.3878 2.5544 2.5544 2.6537 2.6537 2.7881 2.7881 3.1504 3.1504 3.2578 3.2578 4.8386 4.8386 5.2982 5.2982 6.4179 6.4179 6.6911 6.6911 6.8724 6.8724 7.0200 7.0200 7.0884 7.0884 7.5368 7.5368 k = 0.0417 0.0280 0.0236 ( 9871 PWs) bands (ev): -12.2308 -12.2308 -11.8914 -11.8914 -9.9721 -9.9721 -9.4064 -9.4064 -9.1449 -9.1449 -9.0830 -9.0830 -8.7840 -8.7840 -8.7631 -8.7631 -5.5473 -5.5473 -4.2879 -4.2879 -3.1714 -3.1714 -3.0973 -3.0973 -2.6223 -2.6223 -2.3548 -2.3548 -1.9146 -1.9146 -1.8166 -1.8166 -1.7656 -1.7656 -1.4010 -1.4010 -1.2575 -1.2575 -1.1687 -1.1687 -0.8291 -0.8291 -0.7584 -0.7584 -0.3551 -0.3551 0.0612 0.0612 0.1723 0.1723 0.5014 0.5014 0.6131 0.6131 0.7754 0.7754 0.8794 0.8794 1.3869 1.3869 1.6546 1.6546 1.7701 1.7701 2.0151 2.0151 2.1703 2.1703 2.3838 2.3838 2.5624 2.5624 2.6565 2.6565 2.7839 2.7839 3.1539 3.1539 3.2591 3.2591 4.8352 4.8352 5.3024 5.3024 6.4186 6.4186 6.7015 6.7015 6.8658 6.8658 7.0058 7.0058 7.0763 7.0763 7.5251 7.5251 k = 0.0278 0.0187 0.0157 ( 9871 PWs) bands (ev): -12.2321 -12.2321 -11.8908 -11.8908 -9.9738 -9.9738 -9.4040 -9.4040 -9.1455 -9.1455 -9.0822 -9.0822 -8.7821 -8.7821 -8.7620 -8.7620 -5.5526 -5.5526 -4.2844 -4.2844 -3.1735 -3.1735 -3.0976 -3.0976 -2.6242 -2.6242 -2.3568 -2.3568 -1.9133 -1.9133 -1.8210 -1.8210 -1.7646 -1.7646 -1.4004 -1.4004 -1.2589 -1.2589 -1.1622 -1.1622 -0.8315 -0.8315 -0.7606 -0.7606 -0.3578 -0.3578 0.0620 0.0620 0.1737 0.1737 0.5156 0.5156 0.6028 0.6028 0.7750 0.7750 0.8793 0.8793 1.3795 1.3795 1.6575 1.6575 1.7732 1.7732 2.0334 2.0334 2.1617 2.1617 2.3806 2.3806 2.5688 2.5688 2.6586 2.6586 2.7806 2.7806 3.1567 3.1567 3.2600 3.2600 4.8327 4.8327 5.3056 5.3056 6.4191 6.4191 6.7099 6.7099 6.8618 6.8618 6.9940 6.9940 7.0675 7.0675 7.5169 7.5169 k = 0.0139 0.0093 0.0079 ( 9877 PWs) bands (ev): -12.2329 -12.2329 -11.8903 -11.8903 -9.9748 -9.9748 -9.4026 -9.4026 -9.1459 -9.1459 -9.0817 -9.0817 -8.7810 -8.7810 -8.7613 -8.7613 -5.5558 -5.5558 -4.2823 -4.2823 -3.1747 -3.1747 -3.0978 -3.0978 -2.6252 -2.6252 -2.3581 -2.3581 -1.9125 -1.9125 -1.8236 -1.8236 -1.7640 -1.7640 -1.4001 -1.4001 -1.2597 -1.2597 -1.1580 -1.1580 -0.8331 -0.8331 -0.7619 -0.7619 -0.3594 -0.3594 0.0625 0.0625 0.1745 0.1745 0.5263 0.5263 0.5943 0.5943 0.7747 0.7747 0.8793 0.8793 1.3749 1.3749 1.6592 1.6592 1.7750 1.7750 2.0468 2.0468 2.1541 2.1541 2.3785 2.3785 2.5728 2.5728 2.6600 2.6600 2.7784 2.7784 3.1584 3.1584 3.2606 3.2606 4.8311 4.8311 5.3075 5.3075 6.4194 6.4194 6.7153 6.7153 6.8600 6.8600 6.9860 6.9860 7.0620 7.0620 7.5120 7.5120 k = 0.0000 0.0000 0.0000 ( 9883 PWs) bands (ev): -12.2332 -12.2332 -11.8902 -11.8902 -9.9751 -9.9751 -9.4022 -9.4022 -9.1460 -9.1460 -9.0816 -9.0816 -8.7806 -8.7806 -8.7610 -8.7610 -5.5569 -5.5569 -4.2816 -4.2816 -3.1751 -3.1751 -3.0978 -3.0978 -2.6256 -2.6256 -2.3585 -2.3585 -1.9122 -1.9122 -1.8246 -1.8246 -1.7638 -1.7638 -1.4000 -1.4000 -1.2600 -1.2600 -1.1566 -1.1566 -0.8336 -0.8336 -0.7623 -0.7623 -0.3599 -0.3599 0.0626 0.0626 0.1748 0.1748 0.5307 0.5307 0.5907 0.5907 0.7746 0.7746 0.8794 0.8794 1.3734 1.3734 1.6598 1.6598 1.7756 1.7756 2.0519 2.0519 2.1509 2.1509 2.3778 2.3778 2.5742 2.5742 2.6604 2.6604 2.7777 2.7777 3.1590 3.1590 3.2608 3.2608 4.8306 4.8306 5.3082 5.3082 6.4195 6.4195 6.7171 6.7171 6.8595 6.8595 6.9832 6.9832 7.0602 7.0602 7.5104 7.5104 Writing output data file PAuS4.save init_run : 0.99s CPU 1.23s WALL ( 1 calls) electrons : 468.44s CPU 473.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.06s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 468.43s CPU 473.19s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.27s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.13s WALL ( 210 calls) cegterg : 438.91s CPU 442.96s WALL ( 399 calls) Called by sum_band: Called by *egterg: h_psi : 245.00s CPU 249.19s WALL ( 5448 calls) s_psi : 34.44s CPU 34.46s WALL ( 5448 calls) g_psi : 0.42s CPU 0.45s WALL ( 4839 calls) cdiaghg : 131.31s CPU 131.63s WALL ( 5049 calls) cegterg:over : 23.02s CPU 22.82s WALL ( 4839 calls) cegterg:upda : 14.39s CPU 14.45s WALL ( 4839 calls) cegterg:last : 9.14s CPU 9.20s WALL ( 1029 calls) cdiaghg:chol : 5.72s CPU 6.02s WALL ( 5049 calls) cdiaghg:inve : 4.52s CPU 4.58s WALL ( 5049 calls) cdiaghg:para : 9.23s CPU 9.21s WALL ( 10098 calls) Called by h_psi: h_psi:vloc : 185.95s CPU 189.86s WALL ( 5448 calls) h_psi:vnl : 58.60s CPU 58.85s WALL ( 5448 calls) add_vuspsi : 31.68s CPU 31.86s WALL ( 5448 calls) General routines calbec : 26.90s CPU 26.97s WALL ( 5448 calls) fft : 0.06s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 174.37s CPU 178.30s WALL ( 1249656 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.17s CPU 0.21s WALL ( 420 calls) Parallel routines fft_scatter : 113.98s CPU 116.53s WALL ( 1249679 calls) PWSCF : 8m33.05s CPU 8m54.89s WALL This run was terminated on: 20:48: 4 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=