Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:18:34 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: ./ZnxBrNx2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 65 40 11 2739 1335 195 Max 66 41 12 2743 1360 199 Sum 4693 2929 821 197273 96929 14187 bravais-lattice index = 14 lattice parameter (alat) = 13.8311 a.u. unit-cell volume = 2029.9926 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.831148 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.384592 celldm(5)= -0.339849 celldm(6)= -0.275559 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.275559 0.961284 0.000000 ) a(3) = ( -0.339849 -0.497502 0.798120 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.286657 0.604498 ) b(2) = ( 0.000000 1.040275 0.648447 ) b(3) = ( 0.000000 0.000000 1.252945 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Zn 12.00 65.40900 Zn( 1.00) N 5.00 14.00670 N( 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= 262 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( -0.0128437 0.0096793 0.0166569), wk = 0.0038168 k( 3) = ( -0.0256874 0.0193585 0.0333139), wk = 0.0038168 k( 4) = ( -0.0385311 0.0290377 0.0499708), wk = 0.0038168 k( 5) = ( -0.0513748 0.0387170 0.0666277), wk = 0.0038168 k( 6) = ( -0.0642185 0.0483962 0.0832847), wk = 0.0038168 k( 7) = ( -0.0770622 0.0580755 0.0999416), wk = 0.0038168 k( 8) = ( -0.0899059 0.0677547 0.1165985), wk = 0.0038168 k( 9) = ( -0.1027497 0.0774340 0.1332555), wk = 0.0038168 k( 10) = ( -0.1155934 0.0871132 0.1499124), wk = 0.0038168 k( 11) = ( -0.1284371 0.0967925 0.1665693), wk = 0.0038168 k( 12) = ( -0.1412808 0.1064717 0.1832263), wk = 0.0038168 k( 13) = ( -0.1541245 0.1161510 0.1998832), wk = 0.0038168 k( 14) = ( -0.1669682 0.1258302 0.2165402), wk = 0.0038168 k( 15) = ( -0.1798119 0.1355095 0.2331971), wk = 0.0038168 k( 16) = ( -0.1926556 0.1451887 0.2498540), wk = 0.0038168 k( 17) = ( -0.2054993 0.1548680 0.2665110), wk = 0.0038168 k( 18) = ( -0.2183430 0.1645472 0.2831679), wk = 0.0038168 k( 19) = ( -0.2311867 0.1742265 0.2998248), wk = 0.0038168 k( 20) = ( -0.2440304 0.1839057 0.3164818), wk = 0.0038168 k( 21) = ( -0.2568742 0.1935850 0.3331387), wk = 0.0038168 k( 22) = ( -0.2697178 0.2032642 0.3497956), wk = 0.0038168 k( 23) = ( -0.2825616 0.2129435 0.3664526), wk = 0.0038168 k( 24) = ( -0.2954053 0.2226227 0.3831095), wk = 0.0038168 k( 25) = ( -0.3082490 0.2323020 0.3997664), wk = 0.0038168 k( 26) = ( -0.3210927 0.2419812 0.4164234), wk = 0.0038168 k( 27) = ( -0.3339364 0.2516605 0.4330803), wk = 0.0038168 k( 28) = ( -0.3467801 0.2613397 0.4497372), wk = 0.0038168 k( 29) = ( -0.3596238 0.2710190 0.4663942), wk = 0.0038168 k( 30) = ( -0.3724675 0.2806982 0.4830511), wk = 0.0038168 k( 31) = ( -0.3853112 0.2903774 0.4997080), wk = 0.0038168 k( 32) = ( -0.3981549 0.3000567 0.5163650), wk = 0.0038168 k( 33) = ( -0.4109986 0.3097359 0.5330219), wk = 0.0038168 k( 34) = ( -0.4238423 0.3194152 0.5496788), wk = 0.0038168 k( 35) = ( -0.4366860 0.3290944 0.5663358), wk = 0.0038168 k( 36) = ( -0.4495298 0.3387737 0.5829927), wk = 0.0038168 k( 37) = ( -0.4623735 0.3484529 0.5996496), wk = 0.0038168 k( 38) = ( -0.4623735 0.3484529 0.5996496), wk = 0.0038168 k( 39) = ( -0.4512804 0.3400930 0.6130611), wk = 0.0038168 k( 40) = ( -0.4401873 0.3317331 0.6264726), wk = 0.0038168 k( 41) = ( -0.4401873 0.3317331 0.6264726), wk = 0.0038168 k( 42) = ( -0.4218462 0.3179109 0.6264726), wk = 0.0038168 k( 43) = ( -0.4035051 0.3040887 0.6264726), wk = 0.0038168 k( 44) = ( -0.3851639 0.2902664 0.6264726), wk = 0.0038168 k( 45) = ( -0.3668228 0.2764442 0.6264726), wk = 0.0038168 k( 46) = ( -0.3484816 0.2626220 0.6264726), wk = 0.0038168 k( 47) = ( -0.3301405 0.2487998 0.6264726), wk = 0.0038168 k( 48) = ( -0.3117994 0.2349776 0.6264726), wk = 0.0038168 k( 49) = ( -0.2934582 0.2211554 0.6264726), wk = 0.0038168 k( 50) = ( -0.2751171 0.2073332 0.6264726), wk = 0.0038168 k( 51) = ( -0.2567759 0.1935110 0.6264726), wk = 0.0038168 k( 52) = ( -0.2384348 0.1796888 0.6264726), wk = 0.0038168 k( 53) = ( -0.2200937 0.1658665 0.6264726), wk = 0.0038168 k( 54) = ( -0.2017525 0.1520443 0.6264726), wk = 0.0038168 k( 55) = ( -0.1834114 0.1382221 0.6264726), wk = 0.0038168 k( 56) = ( -0.1650703 0.1243999 0.6264726), wk = 0.0038168 k( 57) = ( -0.1467291 0.1105777 0.6264726), wk = 0.0038168 k( 58) = ( -0.1283880 0.0967555 0.6264726), wk = 0.0038168 k( 59) = ( -0.1100468 0.0829333 0.6264726), wk = 0.0038168 k( 60) = ( -0.0917057 0.0691111 0.6264726), wk = 0.0038168 k( 61) = ( -0.0733646 0.0552888 0.6264726), wk = 0.0038168 k( 62) = ( -0.0550234 0.0414666 0.6264726), wk = 0.0038168 k( 63) = ( -0.0366823 0.0276444 0.6264726), wk = 0.0038168 k( 64) = ( -0.0183411 0.0138222 0.6264726), wk = 0.0038168 k( 65) = ( 0.0000000 0.0000000 0.6264726), wk = 0.0038168 k( 66) = ( 0.0000000 0.0000000 0.6264726), wk = 0.0038168 k( 67) = ( 0.0138889 0.0184296 0.6264726), wk = 0.0038168 k( 68) = ( 0.0277778 0.0368592 0.6264726), wk = 0.0038168 k( 69) = ( 0.0416667 0.0552889 0.6264726), wk = 0.0038168 k( 70) = ( 0.0555556 0.0737185 0.6264726), wk = 0.0038168 k( 71) = ( 0.0694444 0.0921481 0.6264726), wk = 0.0038168 k( 72) = ( 0.0833333 0.1105777 0.6264726), wk = 0.0038168 k( 73) = ( 0.0972222 0.1290073 0.6264726), wk = 0.0038168 k( 74) = ( 0.1111111 0.1474369 0.6264726), wk = 0.0038168 k( 75) = ( 0.1250000 0.1658665 0.6264726), wk = 0.0038168 k( 76) = ( 0.1388889 0.1842962 0.6264726), wk = 0.0038168 k( 77) = ( 0.1527778 0.2027258 0.6264726), wk = 0.0038168 k( 78) = ( 0.1666667 0.2211554 0.6264726), wk = 0.0038168 k( 79) = ( 0.1805556 0.2395850 0.6264726), wk = 0.0038168 k( 80) = ( 0.1944444 0.2580146 0.6264726), wk = 0.0038168 k( 81) = ( 0.2083333 0.2764442 0.6264726), wk = 0.0038168 k( 82) = ( 0.2222222 0.2948738 0.6264726), wk = 0.0038168 k( 83) = ( 0.2361111 0.3133035 0.6264726), wk = 0.0038168 k( 84) = ( 0.2500000 0.3317331 0.6264726), wk = 0.0038168 k( 85) = ( 0.2500000 0.3317331 0.6264726), wk = 0.0038168 k( 86) = ( 0.2368421 0.3416491 0.6105647), wk = 0.0038168 k( 87) = ( 0.2236842 0.3515651 0.5946569), wk = 0.0038168 k( 88) = ( 0.2105263 0.3614812 0.5787491), wk = 0.0038168 k( 89) = ( 0.1973684 0.3713972 0.5628412), wk = 0.0038168 k( 90) = ( 0.1842105 0.3813132 0.5469334), wk = 0.0038168 k( 91) = ( 0.1710526 0.3912292 0.5310255), wk = 0.0038168 k( 92) = ( 0.1578947 0.4011453 0.5151177), wk = 0.0038168 k( 93) = ( 0.1447368 0.4110613 0.4992099), wk = 0.0038168 k( 94) = ( 0.1315790 0.4209773 0.4833020), wk = 0.0038168 k( 95) = ( 0.1184210 0.4308933 0.4673942), wk = 0.0038168 k( 96) = ( 0.1052632 0.4408094 0.4514864), wk = 0.0038168 k( 97) = ( 0.0921053 0.4507254 0.4355785), wk = 0.0038168 k( 98) = ( 0.0789474 0.4606414 0.4196707), wk = 0.0038168 k( 99) = ( 0.0657895 0.4705574 0.4037628), wk = 0.0038168 k( 100) = ( 0.0526316 0.4804735 0.3878550), wk = 0.0038168 k( 101) = ( 0.0394737 0.4903895 0.3719472), wk = 0.0038168 k( 102) = ( 0.0263158 0.5003055 0.3560393), wk = 0.0038168 k( 103) = ( 0.0131579 0.5102215 0.3401315), wk = 0.0038168 k( 104) = ( 0.0000000 0.5201376 0.3242237), wk = 0.0038168 k( 105) = ( 0.0000000 0.5201376 0.3242237), wk = 0.0038168 k( 106) = ( 0.0184949 0.5270049 0.3132066), wk = 0.0038168 k( 107) = ( 0.0369899 0.5338723 0.3021896), wk = 0.0038168 k( 108) = ( 0.0554848 0.5407397 0.2911725), wk = 0.0038168 k( 109) = ( 0.0739797 0.5476071 0.2801555), wk = 0.0038168 k( 110) = ( 0.0924747 0.5544745 0.2691385), wk = 0.0038168 k( 111) = ( 0.1109696 0.5613419 0.2581214), wk = 0.0038168 k( 112) = ( 0.1294646 0.5682093 0.2471044), wk = 0.0038168 k( 113) = ( 0.1479595 0.5750766 0.2360873), wk = 0.0038168 k( 114) = ( 0.1664545 0.5819440 0.2250703), wk = 0.0038168 k( 115) = ( 0.1849494 0.5888114 0.2140532), wk = 0.0038168 k( 116) = ( 0.2034443 0.5956788 0.2030362), wk = 0.0038168 k( 117) = ( 0.2219393 0.6025462 0.1920192), wk = 0.0038168 k( 118) = ( 0.2404342 0.6094136 0.1810021), wk = 0.0038168 k( 119) = ( 0.2589291 0.6162810 0.1699851), wk = 0.0038168 k( 120) = ( 0.2774241 0.6231483 0.1589681), wk = 0.0038168 k( 121) = ( 0.2959190 0.6300157 0.1479510), wk = 0.0038168 k( 122) = ( 0.3144140 0.6368831 0.1369340), wk = 0.0038168 k( 123) = ( 0.3329089 0.6437505 0.1259169), wk = 0.0038168 k( 124) = ( 0.3514038 0.6506179 0.1148999), wk = 0.0038168 k( 125) = ( 0.3698988 0.6574853 0.1038829), wk = 0.0038168 k( 126) = ( 0.3883937 0.6643527 0.0928658), wk = 0.0038168 k( 127) = ( 0.4068887 0.6712200 0.0818488), wk = 0.0038168 k( 128) = ( 0.4253836 0.6780874 0.0708317), wk = 0.0038168 k( 129) = ( 0.4438785 0.6849548 0.0598147), wk = 0.0038168 k( 130) = ( 0.4623735 0.6918222 0.0487977), wk = 0.0038168 k( 131) = ( 0.4623735 0.6918222 0.0487977), wk = 0.0038168 k( 132) = ( 0.4749156 0.6823702 0.0325318), wk = 0.0038168 k( 133) = ( 0.4874578 0.6729182 0.0162659), wk = 0.0038168 k( 134) = ( 0.5000000 0.6634662 0.0000000), wk = 0.0038168 k( 135) = ( 0.5000000 0.6634662 0.0000000), wk = 0.0038168 k( 136) = ( 0.4861111 0.6450365 0.0000000), wk = 0.0038168 k( 137) = ( 0.4722222 0.6266069 -0.0000000), wk = 0.0038168 k( 138) = ( 0.4583333 0.6081773 0.0000000), wk = 0.0038168 k( 139) = ( 0.4444444 0.5897477 -0.0000000), wk = 0.0038168 k( 140) = ( 0.4305556 0.5713181 -0.0000000), wk = 0.0038168 k( 141) = ( 0.4166667 0.5528885 0.0000000), wk = 0.0038168 k( 142) = ( 0.4027778 0.5344589 0.0000000), wk = 0.0038168 k( 143) = ( 0.3888889 0.5160292 -0.0000000), wk = 0.0038168 k( 144) = ( 0.3750000 0.4975996 -0.0000000), wk = 0.0038168 k( 145) = ( 0.3611111 0.4791700 -0.0000000), wk = 0.0038168 k( 146) = ( 0.3472222 0.4607404 -0.0000000), wk = 0.0038168 k( 147) = ( 0.3333333 0.4423108 -0.0000000), wk = 0.0038168 k( 148) = ( 0.3194444 0.4238812 -0.0000000), wk = 0.0038168 k( 149) = ( 0.3055556 0.4054515 -0.0000000), wk = 0.0038168 k( 150) = ( 0.2916667 0.3870219 -0.0000000), wk = 0.0038168 k( 151) = ( 0.2777778 0.3685923 0.0000000), wk = 0.0038168 k( 152) = ( 0.2638889 0.3501627 0.0000000), wk = 0.0038168 k( 153) = ( 0.2500000 0.3317331 0.0000000), wk = 0.0038168 k( 154) = ( 0.2361111 0.3133035 -0.0000000), wk = 0.0038168 k( 155) = ( 0.2222222 0.2948738 -0.0000000), wk = 0.0038168 k( 156) = ( 0.2083333 0.2764442 -0.0000000), wk = 0.0038168 k( 157) = ( 0.1944444 0.2580146 -0.0000000), wk = 0.0038168 k( 158) = ( 0.1805556 0.2395850 -0.0000000), wk = 0.0038168 k( 159) = ( 0.1666667 0.2211554 0.0000000), wk = 0.0038168 k( 160) = ( 0.1527778 0.2027258 -0.0000000), wk = 0.0038168 k( 161) = ( 0.1388889 0.1842962 0.0000000), wk = 0.0038168 k( 162) = ( 0.1250000 0.1658665 0.0000000), wk = 0.0038168 k( 163) = ( 0.1111111 0.1474369 -0.0000000), wk = 0.0038168 k( 164) = ( 0.0972222 0.1290073 -0.0000000), wk = 0.0038168 k( 165) = ( 0.0833333 0.1105777 0.0000000), wk = 0.0038168 k( 166) = ( 0.0694444 0.0921481 0.0000000), wk = 0.0038168 k( 167) = ( 0.0555556 0.0737185 -0.0000000), wk = 0.0038168 k( 168) = ( 0.0416667 0.0552889 -0.0000000), wk = 0.0038168 k( 169) = ( 0.0277778 0.0368592 -0.0000000), wk = 0.0038168 k( 170) = ( 0.0138889 0.0184296 -0.0000000), wk = 0.0038168 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 173) = ( 0.0132726 -0.0100025 0.0160465), wk = 0.0038168 k( 174) = ( 0.0265452 -0.0200050 0.0320931), wk = 0.0038168 k( 175) = ( 0.0398178 -0.0300074 0.0481396), wk = 0.0038168 k( 176) = ( 0.0530904 -0.0400099 0.0641861), wk = 0.0038168 k( 177) = ( 0.0663630 -0.0500124 0.0802326), wk = 0.0038168 k( 178) = ( 0.0796357 -0.0600149 0.0962792), wk = 0.0038168 k( 179) = ( 0.0929082 -0.0700173 0.1123257), wk = 0.0038168 k( 180) = ( 0.1061809 -0.0800198 0.1283722), wk = 0.0038168 k( 181) = ( 0.1194535 -0.0900223 0.1444187), wk = 0.0038168 k( 182) = ( 0.1327261 -0.1000248 0.1604653), wk = 0.0038168 k( 183) = ( 0.1459987 -0.1100272 0.1765118), wk = 0.0038168 k( 184) = ( 0.1592713 -0.1200297 0.1925583), wk = 0.0038168 k( 185) = ( 0.1725439 -0.1300322 0.2086048), wk = 0.0038168 k( 186) = ( 0.1858165 -0.1400347 0.2246514), wk = 0.0038168 k( 187) = ( 0.1990891 -0.1500371 0.2406979), wk = 0.0038168 k( 188) = ( 0.2123617 -0.1600396 0.2567444), wk = 0.0038168 k( 189) = ( 0.2256343 -0.1700421 0.2727909), wk = 0.0038168 k( 190) = ( 0.2389069 -0.1800446 0.2888375), wk = 0.0038168 k( 191) = ( 0.2521795 -0.1900470 0.3048840), wk = 0.0038168 k( 192) = ( 0.2654522 -0.2000495 0.3209305), wk = 0.0038168 k( 193) = ( 0.2787248 -0.2100520 0.3369770), wk = 0.0038168 k( 194) = ( 0.2919974 -0.2200545 0.3530236), wk = 0.0038168 k( 195) = ( 0.3052700 -0.2300569 0.3690701), wk = 0.0038168 k( 196) = ( 0.3185426 -0.2400594 0.3851166), wk = 0.0038168 k( 197) = ( 0.3318152 -0.2500619 0.4011631), wk = 0.0038168 k( 198) = ( 0.3450878 -0.2600644 0.4172097), wk = 0.0038168 k( 199) = ( 0.3583604 -0.2700668 0.4332562), wk = 0.0038168 k( 200) = ( 0.3716330 -0.2800693 0.4493027), wk = 0.0038168 k( 201) = ( 0.3849056 -0.2900718 0.4653492), wk = 0.0038168 k( 202) = ( 0.3981782 -0.3000743 0.4813958), wk = 0.0038168 k( 203) = ( 0.4114508 -0.3100767 0.4974423), wk = 0.0038168 k( 204) = ( 0.4247235 -0.3200792 0.5134888), wk = 0.0038168 k( 205) = ( 0.4379961 -0.3300817 0.5295353), wk = 0.0038168 k( 206) = ( 0.4512687 -0.3400842 0.5455819), wk = 0.0038168 k( 207) = ( 0.4645413 -0.3500866 0.5616284), wk = 0.0038168 k( 208) = ( 0.4778139 -0.3600891 0.5776749), wk = 0.0038168 k( 209) = ( 0.4778139 -0.3600891 0.5776749), wk = 0.0038168 k( 210) = ( 0.4787013 -0.3399524 0.5666579), wk = 0.0038168 k( 211) = ( 0.4795888 -0.3198157 0.5556408), wk = 0.0038168 k( 212) = ( 0.4804762 -0.2996790 0.5446238), wk = 0.0038168 k( 213) = ( 0.4813637 -0.2795423 0.5336068), wk = 0.0038168 k( 214) = ( 0.4822511 -0.2594056 0.5225897), wk = 0.0038168 k( 215) = ( 0.4831385 -0.2392689 0.5115727), wk = 0.0038168 k( 216) = ( 0.4840260 -0.2191322 0.5005556), wk = 0.0038168 k( 217) = ( 0.4849134 -0.1989954 0.4895386), wk = 0.0038168 k( 218) = ( 0.4858009 -0.1788587 0.4785216), wk = 0.0038168 k( 219) = ( 0.4866883 -0.1587220 0.4675045), wk = 0.0038168 k( 220) = ( 0.4875758 -0.1385853 0.4564875), wk = 0.0038168 k( 221) = ( 0.4884632 -0.1184486 0.4454704), wk = 0.0038168 k( 222) = ( 0.4893507 -0.0983119 0.4344534), wk = 0.0038168 k( 223) = ( 0.4902381 -0.0781752 0.4234364), wk = 0.0038168 k( 224) = ( 0.4911256 -0.0580385 0.4124193), wk = 0.0038168 k( 225) = ( 0.4920130 -0.0379018 0.4014023), wk = 0.0038168 k( 226) = ( 0.4929004 -0.0177651 0.3903852), wk = 0.0038168 k( 227) = ( 0.4937879 0.0023716 0.3793682), wk = 0.0038168 k( 228) = ( 0.4946753 0.0225083 0.3683512), wk = 0.0038168 k( 229) = ( 0.4955628 0.0426451 0.3573341), wk = 0.0038168 k( 230) = ( 0.4964502 0.0627818 0.3463171), wk = 0.0038168 k( 231) = ( 0.4973377 0.0829185 0.3353000), wk = 0.0038168 k( 232) = ( 0.4982251 0.1030552 0.3242830), wk = 0.0038168 k( 233) = ( 0.4991126 0.1231919 0.3132660), wk = 0.0038168 k( 234) = ( 0.5000000 0.1433286 0.3022489), wk = 0.0038168 k( 235) = ( 0.5000000 0.1433286 0.3022489), wk = 0.0038168 k( 236) = ( 0.4875000 0.1527488 0.3184601), wk = 0.0038168 k( 237) = ( 0.4750000 0.1621690 0.3346713), wk = 0.0038168 k( 238) = ( 0.4625000 0.1715893 0.3508825), wk = 0.0038168 k( 239) = ( 0.4500000 0.1810095 0.3670937), wk = 0.0038168 k( 240) = ( 0.4375000 0.1904297 0.3833048), wk = 0.0038168 k( 241) = ( 0.4250000 0.1998499 0.3995160), wk = 0.0038168 k( 242) = ( 0.4125000 0.2092702 0.4157272), wk = 0.0038168 k( 243) = ( 0.4000000 0.2186904 0.4319384), wk = 0.0038168 k( 244) = ( 0.3875000 0.2281106 0.4481496), wk = 0.0038168 k( 245) = ( 0.3750000 0.2375308 0.4643607), wk = 0.0038168 k( 246) = ( 0.3625000 0.2469511 0.4805719), wk = 0.0038168 k( 247) = ( 0.3500000 0.2563713 0.4967831), wk = 0.0038168 k( 248) = ( 0.3375000 0.2657915 0.5129943), wk = 0.0038168 k( 249) = ( 0.3250000 0.2752117 0.5292055), wk = 0.0038168 k( 250) = ( 0.3125000 0.2846320 0.5454167), wk = 0.0038168 k( 251) = ( 0.3000000 0.2940522 0.5616278), wk = 0.0038168 k( 252) = ( 0.2875000 0.3034724 0.5778390), wk = 0.0038168 k( 253) = ( 0.2750000 0.3128926 0.5940502), wk = 0.0038168 k( 254) = ( 0.2625000 0.3223129 0.6102614), wk = 0.0038168 k( 255) = ( 0.2500000 0.3317331 0.6264726), wk = 0.0038168 k( 256) = ( 0.4401873 -0.3317331 0.6264726), wk = 0.0038168 k( 257) = ( 0.4527295 -0.3411851 0.6102067), wk = 0.0038168 k( 258) = ( 0.4652717 -0.3506371 0.5939408), wk = 0.0038168 k( 259) = ( 0.4778139 -0.3600891 0.5776749), wk = 0.0038168 k( 260) = ( 0.5221861 0.6467463 0.0268229), wk = 0.0038168 k( 261) = ( 0.5110931 0.6551062 0.0134115), wk = 0.0038168 k( 262) = ( 0.5000000 0.6634662 0.0000000), wk = 0.0038168 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( -0.0128437 0.0128437 0.0128437), wk = 0.0038168 k( 3) = ( -0.0256874 0.0256874 0.0256874), wk = 0.0038168 k( 4) = ( -0.0385311 0.0385311 0.0385311), wk = 0.0038168 k( 5) = ( -0.0513748 0.0513748 0.0513748), wk = 0.0038168 k( 6) = ( -0.0642185 0.0642185 0.0642185), wk = 0.0038168 k( 7) = ( -0.0770622 0.0770622 0.0770622), wk = 0.0038168 k( 8) = ( -0.0899059 0.0899059 0.0899059), wk = 0.0038168 k( 9) = ( -0.1027497 0.1027497 0.1027497), wk = 0.0038168 k( 10) = ( -0.1155934 0.1155934 0.1155934), wk = 0.0038168 k( 11) = ( -0.1284371 0.1284371 0.1284371), wk = 0.0038168 k( 12) = ( -0.1412808 0.1412808 0.1412808), wk = 0.0038168 k( 13) = ( -0.1541245 0.1541245 0.1541245), wk = 0.0038168 k( 14) = ( -0.1669682 0.1669682 0.1669682), wk = 0.0038168 k( 15) = ( -0.1798119 0.1798119 0.1798119), wk = 0.0038168 k( 16) = ( -0.1926556 0.1926556 0.1926556), wk = 0.0038168 k( 17) = ( -0.2054993 0.2054993 0.2054993), wk = 0.0038168 k( 18) = ( -0.2183430 0.2183430 0.2183430), wk = 0.0038168 k( 19) = ( -0.2311867 0.2311867 0.2311867), wk = 0.0038168 k( 20) = ( -0.2440304 0.2440304 0.2440304), wk = 0.0038168 k( 21) = ( -0.2568742 0.2568742 0.2568742), wk = 0.0038168 k( 22) = ( -0.2697178 0.2697178 0.2697178), wk = 0.0038168 k( 23) = ( -0.2825616 0.2825616 0.2825616), wk = 0.0038168 k( 24) = ( -0.2954053 0.2954053 0.2954053), wk = 0.0038168 k( 25) = ( -0.3082490 0.3082490 0.3082490), wk = 0.0038168 k( 26) = ( -0.3210927 0.3210927 0.3210927), wk = 0.0038168 k( 27) = ( -0.3339364 0.3339364 0.3339364), wk = 0.0038168 k( 28) = ( -0.3467801 0.3467801 0.3467801), wk = 0.0038168 k( 29) = ( -0.3596238 0.3596238 0.3596238), wk = 0.0038168 k( 30) = ( -0.3724675 0.3724675 0.3724675), wk = 0.0038168 k( 31) = ( -0.3853112 0.3853112 0.3853112), wk = 0.0038168 k( 32) = ( -0.3981549 0.3981549 0.3981549), wk = 0.0038168 k( 33) = ( -0.4109986 0.4109986 0.4109986), wk = 0.0038168 k( 34) = ( -0.4238423 0.4238423 0.4238423), wk = 0.0038168 k( 35) = ( -0.4366860 0.4366860 0.4366861), wk = 0.0038168 k( 36) = ( -0.4495298 0.4495298 0.4495298), wk = 0.0038168 k( 37) = ( -0.4623735 0.4623735 0.4623735), wk = 0.0038168 k( 38) = ( -0.4623735 0.4623735 0.4623735), wk = 0.0038168 k( 39) = ( -0.4512804 0.4512804 0.4734665), wk = 0.0038168 k( 40) = ( -0.4401873 0.4401873 0.4845596), wk = 0.0038168 k( 41) = ( -0.4401873 0.4401873 0.4845596), wk = 0.0038168 k( 42) = ( -0.4218462 0.4218462 0.4852029), wk = 0.0038168 k( 43) = ( -0.4035051 0.4035051 0.4858463), wk = 0.0038168 k( 44) = ( -0.3851639 0.3851639 0.4864896), wk = 0.0038168 k( 45) = ( -0.3668228 0.3668228 0.4871330), wk = 0.0038168 k( 46) = ( -0.3484816 0.3484817 0.4877763), wk = 0.0038168 k( 47) = ( -0.3301405 0.3301405 0.4884197), wk = 0.0038168 k( 48) = ( -0.3117994 0.3117994 0.4890630), wk = 0.0038168 k( 49) = ( -0.2934582 0.2934582 0.4897064), wk = 0.0038168 k( 50) = ( -0.2751171 0.2751171 0.4903497), wk = 0.0038168 k( 51) = ( -0.2567759 0.2567759 0.4909931), wk = 0.0038168 k( 52) = ( -0.2384348 0.2384348 0.4916364), wk = 0.0038168 k( 53) = ( -0.2200937 0.2200937 0.4922798), wk = 0.0038168 k( 54) = ( -0.2017525 0.2017525 0.4929231), wk = 0.0038168 k( 55) = ( -0.1834114 0.1834114 0.4935665), wk = 0.0038168 k( 56) = ( -0.1650703 0.1650703 0.4942098), wk = 0.0038168 k( 57) = ( -0.1467291 0.1467291 0.4948532), wk = 0.0038168 k( 58) = ( -0.1283880 0.1283880 0.4954965), wk = 0.0038168 k( 59) = ( -0.1100468 0.1100468 0.4961399), wk = 0.0038168 k( 60) = ( -0.0917057 0.0917057 0.4967833), wk = 0.0038168 k( 61) = ( -0.0733646 0.0733646 0.4974266), wk = 0.0038168 k( 62) = ( -0.0550234 0.0550234 0.4980700), wk = 0.0038168 k( 63) = ( -0.0366823 0.0366823 0.4987133), wk = 0.0038168 k( 64) = ( -0.0183411 0.0183411 0.4993567), wk = 0.0038168 k( 65) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 66) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 67) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0038168 k( 68) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0038168 k( 69) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0038168 k( 70) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0038168 k( 71) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0038168 k( 72) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0038168 k( 73) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0038168 k( 74) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0038168 k( 75) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0038168 k( 76) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0038168 k( 77) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0038168 k( 78) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0038168 k( 79) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0038168 k( 80) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0038168 k( 81) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0038168 k( 82) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0038168 k( 83) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0038168 k( 84) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038168 k( 85) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038168 k( 86) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0038168 k( 87) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0038168 k( 88) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0038168 k( 89) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0038168 k( 90) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0038168 k( 91) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0038168 k( 92) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0038168 k( 93) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0038168 k( 94) = ( 0.1315790 0.3684211 0.1315790), wk = 0.0038168 k( 95) = ( 0.1184210 0.3815790 0.1184210), wk = 0.0038168 k( 96) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0038168 k( 97) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0038168 k( 98) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0038168 k( 99) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0038168 k( 100) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0038168 k( 101) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0038168 k( 102) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0038168 k( 103) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0038168 k( 104) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038168 k( 105) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038168 k( 106) = ( 0.0184949 0.5015051 -0.0184949), wk = 0.0038168 k( 107) = ( 0.0369899 0.5030101 -0.0369899), wk = 0.0038168 k( 108) = ( 0.0554848 0.5045152 -0.0554848), wk = 0.0038168 k( 109) = ( 0.0739797 0.5060202 -0.0739797), wk = 0.0038168 k( 110) = ( 0.0924747 0.5075253 -0.0924747), wk = 0.0038168 k( 111) = ( 0.1109696 0.5090304 -0.1109696), wk = 0.0038168 k( 112) = ( 0.1294646 0.5105354 -0.1294646), wk = 0.0038168 k( 113) = ( 0.1479595 0.5120405 -0.1479595), wk = 0.0038168 k( 114) = ( 0.1664545 0.5135456 -0.1664545), wk = 0.0038168 k( 115) = ( 0.1849494 0.5150506 -0.1849494), wk = 0.0038168 k( 116) = ( 0.2034443 0.5165557 -0.2034443), wk = 0.0038168 k( 117) = ( 0.2219393 0.5180607 -0.2219393), wk = 0.0038168 k( 118) = ( 0.2404342 0.5195658 -0.2404342), wk = 0.0038168 k( 119) = ( 0.2589291 0.5210709 -0.2589291), wk = 0.0038168 k( 120) = ( 0.2774241 0.5225759 -0.2774241), wk = 0.0038168 k( 121) = ( 0.2959190 0.5240810 -0.2959190), wk = 0.0038168 k( 122) = ( 0.3144140 0.5255860 -0.3144140), wk = 0.0038168 k( 123) = ( 0.3329089 0.5270911 -0.3329089), wk = 0.0038168 k( 124) = ( 0.3514038 0.5285962 -0.3514038), wk = 0.0038168 k( 125) = ( 0.3698988 0.5301012 -0.3698988), wk = 0.0038168 k( 126) = ( 0.3883937 0.5316063 -0.3883937), wk = 0.0038168 k( 127) = ( 0.4068887 0.5331113 -0.4068887), wk = 0.0038168 k( 128) = ( 0.4253836 0.5346164 -0.4253836), wk = 0.0038168 k( 129) = ( 0.4438785 0.5361215 -0.4438785), wk = 0.0038168 k( 130) = ( 0.4623735 0.5376265 -0.4623735), wk = 0.0038168 k( 131) = ( 0.4623735 0.5376265 -0.4623735), wk = 0.0038168 k( 132) = ( 0.4749156 0.5250844 -0.4749156), wk = 0.0038168 k( 133) = ( 0.4874578 0.5125422 -0.4874578), wk = 0.0038168 k( 134) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038168 k( 135) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038168 k( 136) = ( 0.4861111 0.4861111 -0.4861111), wk = 0.0038168 k( 137) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0038168 k( 138) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0038168 k( 139) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0038168 k( 140) = ( 0.4305556 0.4305556 -0.4305556), wk = 0.0038168 k( 141) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0038168 k( 142) = ( 0.4027778 0.4027778 -0.4027778), wk = 0.0038168 k( 143) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0038168 k( 144) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0038168 k( 145) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0038168 k( 146) = ( 0.3472222 0.3472222 -0.3472222), wk = 0.0038168 k( 147) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0038168 k( 148) = ( 0.3194444 0.3194444 -0.3194444), wk = 0.0038168 k( 149) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0038168 k( 150) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0038168 k( 151) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0038168 k( 152) = ( 0.2638889 0.2638889 -0.2638889), wk = 0.0038168 k( 153) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0038168 k( 154) = ( 0.2361111 0.2361111 -0.2361111), wk = 0.0038168 k( 155) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0038168 k( 156) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0038168 k( 157) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0038168 k( 158) = ( 0.1805556 0.1805556 -0.1805556), wk = 0.0038168 k( 159) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0038168 k( 160) = ( 0.1527778 0.1527778 -0.1527778), wk = 0.0038168 k( 161) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0038168 k( 162) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0038168 k( 163) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0038168 k( 164) = ( 0.0972222 0.0972222 -0.0972222), wk = 0.0038168 k( 165) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0038168 k( 166) = ( 0.0694444 0.0694444 -0.0694444), wk = 0.0038168 k( 167) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0038168 k( 168) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0038168 k( 169) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0038168 k( 170) = ( 0.0138889 0.0138889 -0.0138889), wk = 0.0038168 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 173) = ( 0.0132726 -0.0132726 0.0132726), wk = 0.0038168 k( 174) = ( 0.0265452 -0.0265452 0.0265452), wk = 0.0038168 k( 175) = ( 0.0398178 -0.0398178 0.0398178), wk = 0.0038168 k( 176) = ( 0.0530904 -0.0530904 0.0530904), wk = 0.0038168 k( 177) = ( 0.0663630 -0.0663630 0.0663630), wk = 0.0038168 k( 178) = ( 0.0796357 -0.0796357 0.0796357), wk = 0.0038168 k( 179) = ( 0.0929082 -0.0929082 0.0929083), wk = 0.0038168 k( 180) = ( 0.1061809 -0.1061809 0.1061809), wk = 0.0038168 k( 181) = ( 0.1194535 -0.1194535 0.1194535), wk = 0.0038168 k( 182) = ( 0.1327261 -0.1327261 0.1327261), wk = 0.0038168 k( 183) = ( 0.1459987 -0.1459987 0.1459987), wk = 0.0038168 k( 184) = ( 0.1592713 -0.1592713 0.1592713), wk = 0.0038168 k( 185) = ( 0.1725439 -0.1725439 0.1725439), wk = 0.0038168 k( 186) = ( 0.1858165 -0.1858165 0.1858165), wk = 0.0038168 k( 187) = ( 0.1990891 -0.1990891 0.1990891), wk = 0.0038168 k( 188) = ( 0.2123617 -0.2123617 0.2123617), wk = 0.0038168 k( 189) = ( 0.2256343 -0.2256343 0.2256343), wk = 0.0038168 k( 190) = ( 0.2389069 -0.2389069 0.2389069), wk = 0.0038168 k( 191) = ( 0.2521795 -0.2521795 0.2521795), wk = 0.0038168 k( 192) = ( 0.2654522 -0.2654522 0.2654522), wk = 0.0038168 k( 193) = ( 0.2787248 -0.2787248 0.2787248), wk = 0.0038168 k( 194) = ( 0.2919974 -0.2919974 0.2919974), wk = 0.0038168 k( 195) = ( 0.3052700 -0.3052700 0.3052700), wk = 0.0038168 k( 196) = ( 0.3185426 -0.3185426 0.3185426), wk = 0.0038168 k( 197) = ( 0.3318152 -0.3318152 0.3318152), wk = 0.0038168 k( 198) = ( 0.3450878 -0.3450878 0.3450878), wk = 0.0038168 k( 199) = ( 0.3583604 -0.3583604 0.3583604), wk = 0.0038168 k( 200) = ( 0.3716330 -0.3716330 0.3716330), wk = 0.0038168 k( 201) = ( 0.3849056 -0.3849056 0.3849056), wk = 0.0038168 k( 202) = ( 0.3981782 -0.3981782 0.3981782), wk = 0.0038168 k( 203) = ( 0.4114508 -0.4114508 0.4114508), wk = 0.0038168 k( 204) = ( 0.4247235 -0.4247235 0.4247235), wk = 0.0038168 k( 205) = ( 0.4379961 -0.4379961 0.4379961), wk = 0.0038168 k( 206) = ( 0.4512687 -0.4512687 0.4512687), wk = 0.0038168 k( 207) = ( 0.4645413 -0.4645413 0.4645413), wk = 0.0038168 k( 208) = ( 0.4778139 -0.4778139 0.4778139), wk = 0.0038168 k( 209) = ( 0.4778139 -0.4778139 0.4778139), wk = 0.0038168 k( 210) = ( 0.4787013 -0.4587013 0.4587013), wk = 0.0038168 k( 211) = ( 0.4795888 -0.4395888 0.4395888), wk = 0.0038168 k( 212) = ( 0.4804762 -0.4204762 0.4204762), wk = 0.0038168 k( 213) = ( 0.4813637 -0.4013637 0.4013637), wk = 0.0038168 k( 214) = ( 0.4822511 -0.3822511 0.3822511), wk = 0.0038168 k( 215) = ( 0.4831385 -0.3631386 0.3631386), wk = 0.0038168 k( 216) = ( 0.4840260 -0.3440260 0.3440260), wk = 0.0038168 k( 217) = ( 0.4849134 -0.3249134 0.3249134), wk = 0.0038168 k( 218) = ( 0.4858009 -0.3058009 0.3058009), wk = 0.0038168 k( 219) = ( 0.4866883 -0.2866883 0.2866883), wk = 0.0038168 k( 220) = ( 0.4875758 -0.2675758 0.2675758), wk = 0.0038168 k( 221) = ( 0.4884632 -0.2484632 0.2484632), wk = 0.0038168 k( 222) = ( 0.4893507 -0.2293507 0.2293507), wk = 0.0038168 k( 223) = ( 0.4902381 -0.2102381 0.2102381), wk = 0.0038168 k( 224) = ( 0.4911256 -0.1911256 0.1911256), wk = 0.0038168 k( 225) = ( 0.4920130 -0.1720130 0.1720130), wk = 0.0038168 k( 226) = ( 0.4929004 -0.1529004 0.1529004), wk = 0.0038168 k( 227) = ( 0.4937879 -0.1337879 0.1337879), wk = 0.0038168 k( 228) = ( 0.4946753 -0.1146753 0.1146753), wk = 0.0038168 k( 229) = ( 0.4955628 -0.0955628 0.0955628), wk = 0.0038168 k( 230) = ( 0.4964502 -0.0764502 0.0764502), wk = 0.0038168 k( 231) = ( 0.4973377 -0.0573377 0.0573377), wk = 0.0038168 k( 232) = ( 0.4982251 -0.0382251 0.0382251), wk = 0.0038168 k( 233) = ( 0.4991126 -0.0191126 0.0191126), wk = 0.0038168 k( 234) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038168 k( 235) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038168 k( 236) = ( 0.4875000 0.0125000 0.0125000), wk = 0.0038168 k( 237) = ( 0.4750000 0.0250000 0.0250000), wk = 0.0038168 k( 238) = ( 0.4625000 0.0375000 0.0375000), wk = 0.0038168 k( 239) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0038168 k( 240) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0038168 k( 241) = ( 0.4250000 0.0750000 0.0750000), wk = 0.0038168 k( 242) = ( 0.4125000 0.0875000 0.0875000), wk = 0.0038168 k( 243) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0038168 k( 244) = ( 0.3875000 0.1125000 0.1125000), wk = 0.0038168 k( 245) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0038168 k( 246) = ( 0.3625000 0.1375000 0.1375000), wk = 0.0038168 k( 247) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0038168 k( 248) = ( 0.3375000 0.1625000 0.1625000), wk = 0.0038168 k( 249) = ( 0.3250000 0.1750000 0.1750000), wk = 0.0038168 k( 250) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0038168 k( 251) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0038168 k( 252) = ( 0.2875000 0.2125000 0.2125000), wk = 0.0038168 k( 253) = ( 0.2750000 0.2250000 0.2250000), wk = 0.0038168 k( 254) = ( 0.2625000 0.2375000 0.2375000), wk = 0.0038168 k( 255) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038168 k( 256) = ( 0.4401873 -0.4401873 0.5154404), wk = 0.0038168 k( 257) = ( 0.4527295 -0.4527295 0.5028982), wk = 0.0038168 k( 258) = ( 0.4652717 -0.4652717 0.4903561), wk = 0.0038168 k( 259) = ( 0.4778139 -0.4778139 0.4778139), wk = 0.0038168 k( 260) = ( 0.5221861 0.4778139 -0.4778139), wk = 0.0038168 k( 261) = ( 0.5110931 0.4889069 -0.4889069), wk = 0.0038168 k( 262) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038168 Dense grid: 197273 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 96929 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.46 Mb ( 354, 86) NL pseudopotentials 0.49 Mb ( 177, 180) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2740) G-vector shells 0.02 Mb ( 2573) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.86 Mb ( 354, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 0.47 Mb ( 180, 2, 86) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ZnxBrNx2.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 10.2 secs Computing kpt #: 7 total cpu time spent up to now is 11.5 secs Computing kpt #: 8 total cpu time spent up to now is 12.8 secs Computing kpt #: 9 total cpu time spent up to now is 14.1 secs Computing kpt #: 10 total cpu time spent up to now is 15.5 secs Computing kpt #: 11 total cpu time spent up to now is 17.0 secs Computing kpt #: 12 total cpu time spent up to now is 18.3 secs Computing kpt #: 13 total cpu time spent up to now is 19.7 secs Computing kpt #: 14 total cpu time spent up to now is 21.0 secs Computing kpt #: 15 total cpu time spent up to now is 22.3 secs Computing kpt #: 16 total cpu time spent up to now is 23.8 secs Computing kpt #: 17 total cpu time spent up to now is 25.2 secs Computing kpt #: 18 total cpu time spent up to now is 26.6 secs Computing kpt #: 19 total cpu time spent up to now is 28.0 secs Computing kpt #: 20 total cpu time spent up to now is 29.6 secs Computing kpt #: 21 total cpu time spent up to now is 31.0 secs Computing kpt #: 22 total cpu time spent up to now is 32.5 secs Computing kpt #: 23 total cpu time spent up to now is 33.9 secs Computing kpt #: 24 total cpu time spent up to now is 35.3 secs Computing kpt #: 25 total cpu time spent up to now is 36.7 secs Computing kpt #: 26 total cpu time spent up to now is 38.4 secs Computing kpt #: 27 total cpu time spent up to now is 40.1 secs Computing kpt #: 28 total cpu time spent up to now is 41.7 secs Computing kpt #: 29 total cpu time spent up to now is 43.4 secs Computing kpt #: 30 total cpu time spent up to now is 45.2 secs Computing kpt #: 31 total cpu time spent up to now is 46.9 secs Computing kpt #: 32 total cpu time spent up to now is 48.6 secs Computing kpt #: 33 total cpu time spent up to now is 50.3 secs Computing kpt #: 34 total cpu time spent up to now is 52.1 secs Computing kpt #: 35 total cpu time spent up to now is 53.9 secs Computing kpt #: 36 total cpu time spent up to now is 55.9 secs Computing kpt #: 37 total cpu time spent up to now is 57.7 secs Computing kpt #: 38 total cpu time spent up to now is 59.5 secs Computing kpt #: 39 total cpu time spent up to now is 61.4 secs Computing kpt #: 40 total cpu time spent up to now is 63.3 secs Computing kpt #: 41 total cpu time spent up to now is 65.2 secs Computing kpt #: 42 total cpu time spent up to now is 66.9 secs Computing kpt #: 43 total cpu time spent up to now is 68.8 secs Computing kpt #: 44 total cpu time spent up to now is 70.6 secs Computing kpt #: 45 total cpu time spent up to now is 72.5 secs Computing kpt #: 46 total cpu time spent up to now is 74.3 secs Computing kpt #: 47 total cpu time spent up to now is 76.1 secs Computing kpt #: 48 total cpu time spent up to now is 77.8 secs Computing kpt #: 49 total cpu time spent up to now is 79.5 secs Computing kpt #: 50 total cpu time spent up to now is 81.3 secs Computing kpt #: 51 total cpu time spent up to now is 83.1 secs Computing kpt #: 52 total cpu time spent up to now is 84.9 secs Computing kpt #: 53 total cpu time spent up to now is 86.7 secs Computing kpt #: 54 total cpu time spent up to now is 88.4 secs Computing kpt #: 55 total cpu time spent up to now is 90.2 secs Computing kpt #: 56 total cpu time spent up to now is 92.1 secs Computing kpt #: 57 total cpu time spent up to now is 93.9 secs Computing kpt #: 58 total cpu time spent up to now is 95.6 secs Computing kpt #: 59 total cpu time spent up to now is 97.3 secs Computing kpt #: 60 total cpu time spent up to now is 99.2 secs Computing kpt #: 61 total cpu time spent up to now is 101.0 secs Computing kpt #: 62 total cpu time spent up to now is 102.8 secs Computing kpt #: 63 total cpu time spent up to now is 104.6 secs Computing kpt #: 64 total cpu time spent up to now is 106.6 secs Computing kpt #: 65 total cpu time spent up to now is 107.9 secs Computing kpt #: 66 total cpu time spent up to now is 109.2 secs Computing kpt #: 67 total cpu time spent up to now is 110.5 secs Computing kpt #: 68 total cpu time spent up to now is 112.9 secs Computing kpt #: 69 total cpu time spent up to now is 114.8 secs Computing kpt #: 70 total cpu time spent up to now is 116.7 secs Computing kpt #: 71 total cpu time spent up to now is 119.3 secs Computing kpt #: 72 total cpu time spent up to now is 121.1 secs Computing kpt #: 73 total cpu time spent up to now is 125.2 secs Computing kpt #: 74 total cpu time spent up to now is 127.1 secs Computing kpt #: 75 total cpu time spent up to now is 128.8 secs Computing kpt #: 76 total cpu time spent up to now is 130.7 secs Computing kpt #: 77 total cpu time spent up to now is 132.7 secs Computing kpt #: 78 total cpu time spent up to now is 134.4 secs Computing kpt #: 79 total cpu time spent up to now is 136.3 secs Computing kpt #: 80 total cpu time spent up to now is 138.2 secs Computing kpt #: 81 total cpu time spent up to now is 140.1 secs Computing kpt #: 82 total cpu time spent up to now is 141.9 secs Computing kpt #: 83 total cpu time spent up to now is 143.7 secs Computing kpt #: 84 total cpu time spent up to now is 145.6 secs Computing kpt #: 85 total cpu time spent up to now is 147.4 secs Computing kpt #: 86 total cpu time spent up to now is 149.2 secs Computing kpt #: 87 total cpu time spent up to now is 151.0 secs Computing kpt #: 88 total cpu time spent up to now is 152.9 secs Computing kpt #: 89 total cpu time spent up to now is 154.8 secs Computing kpt #: 90 total cpu time spent up to now is 156.6 secs Computing kpt #: 91 total cpu time spent up to now is 158.4 secs Computing kpt #: 92 total cpu time spent up to now is 160.2 secs Computing kpt #: 93 total cpu time spent up to now is 162.0 secs Computing kpt #: 94 total cpu time spent up to now is 163.8 secs Computing kpt #: 95 total cpu time spent up to now is 165.7 secs Computing kpt #: 96 total cpu time spent up to now is 167.5 secs Computing kpt #: 97 total cpu time spent up to now is 169.2 secs Computing kpt #: 98 total cpu time spent up to now is 171.0 secs Computing kpt #: 99 total cpu time spent up to now is 172.8 secs Computing kpt #: 100 total cpu time spent up to now is 174.6 secs Computing kpt #: 101 total cpu time spent up to now is 176.4 secs Computing kpt #: 102 total cpu time spent up to now is 178.3 secs Computing kpt #: 103 total cpu time spent up to now is 180.1 secs Computing kpt #: 104 total cpu time spent up to now is 181.9 secs Computing kpt #: 105 total cpu time spent up to now is 183.7 secs Computing kpt #: 106 total cpu time spent up to now is 185.6 secs Computing kpt #: 107 total cpu time spent up to now is 187.4 secs Computing kpt #: 108 total cpu time spent up to now is 189.2 secs Computing kpt #: 109 total cpu time spent up to now is 191.0 secs Computing kpt #: 110 total cpu time spent up to now is 192.8 secs Computing kpt #: 111 total cpu time spent up to now is 194.6 secs Computing kpt #: 112 total cpu time spent up to now is 196.4 secs Computing kpt #: 113 total cpu time spent up to now is 198.1 secs Computing kpt #: 114 total cpu time spent up to now is 199.9 secs Computing kpt #: 115 total cpu time spent up to now is 201.7 secs Computing kpt #: 116 total cpu time spent up to now is 203.6 secs Computing kpt #: 117 total cpu time spent up to now is 205.4 secs Computing kpt #: 118 total cpu time spent up to now is 207.1 secs Computing kpt #: 119 total cpu time spent up to now is 208.9 secs Computing kpt #: 120 total cpu time spent up to now is 210.7 secs Computing kpt #: 121 total cpu time spent up to now is 212.5 secs Computing kpt #: 122 total cpu time spent up to now is 214.2 secs Computing kpt #: 123 total cpu time spent up to now is 216.1 secs Computing kpt #: 124 total cpu time spent up to now is 218.0 secs Computing kpt #: 125 total cpu time spent up to now is 219.8 secs Computing kpt #: 126 total cpu time spent up to now is 221.7 secs Computing kpt #: 127 total cpu time spent up to now is 223.6 secs Computing kpt #: 128 total cpu time spent up to now is 225.4 secs Computing kpt #: 129 total cpu time spent up to now is 227.3 secs Computing kpt #: 130 total cpu time spent up to now is 229.2 secs Computing kpt #: 131 total cpu time spent up to now is 231.2 secs Computing kpt #: 132 total cpu time spent up to now is 233.1 secs Computing kpt #: 133 total cpu time spent up to now is 235.0 secs Computing kpt #: 134 total cpu time spent up to now is 237.0 secs Computing kpt #: 135 total cpu time spent up to now is 238.8 secs Computing kpt #: 136 total cpu time spent up to now is 240.7 secs Computing kpt #: 137 total cpu time spent up to now is 242.6 secs Computing kpt #: 138 total cpu time spent up to now is 244.4 secs Computing kpt #: 139 total cpu time spent up to now is 246.2 secs Computing kpt #: 140 total cpu time spent up to now is 248.0 secs Computing kpt #: 141 total cpu time spent up to now is 249.8 secs Computing kpt #: 142 total cpu time spent up to now is 251.6 secs Computing kpt #: 143 total cpu time spent up to now is 253.3 secs Computing kpt #: 144 total cpu time spent up to now is 255.1 secs Computing kpt #: 145 total cpu time spent up to now is 256.8 secs Computing kpt #: 146 total cpu time spent up to now is 258.4 secs Computing kpt #: 147 total cpu time spent up to now is 260.1 secs Computing kpt #: 148 total cpu time spent up to now is 261.8 secs Computing kpt #: 149 total cpu time spent up to now is 263.5 secs Computing kpt #: 150 total cpu time spent up to now is 265.1 secs Computing kpt #: 151 total cpu time spent up to now is 266.7 secs Computing kpt #: 152 total cpu time spent up to now is 268.6 secs Computing kpt #: 153 total cpu time spent up to now is 270.3 secs Computing kpt #: 154 total cpu time spent up to now is 271.9 secs Computing kpt #: 155 total cpu time spent up to now is 273.2 secs Computing kpt #: 156 total cpu time spent up to now is 274.7 secs Computing kpt #: 157 total cpu time spent up to now is 276.1 secs Computing kpt #: 158 total cpu time spent up to now is 277.5 secs Computing kpt #: 159 total cpu time spent up to now is 279.1 secs Computing kpt #: 160 total cpu time spent up to now is 280.6 secs Computing kpt #: 161 total cpu time spent up to now is 282.1 secs Computing kpt #: 162 total cpu time spent up to now is 283.4 secs Computing kpt #: 163 total cpu time spent up to now is 284.7 secs Computing kpt #: 164 total cpu time spent up to now is 286.0 secs Computing kpt #: 165 total cpu time spent up to now is 287.3 secs Computing kpt #: 166 total cpu time spent up to now is 288.7 secs Computing kpt #: 167 total cpu time spent up to now is 290.1 secs Computing kpt #: 168 total cpu time spent up to now is 291.5 secs Computing kpt #: 169 total cpu time spent up to now is 292.8 secs Computing kpt #: 170 total cpu time spent up to now is 294.1 secs Computing kpt #: 171 total cpu time spent up to now is 295.5 secs Computing kpt #: 172 total cpu time spent up to now is 296.8 secs Computing kpt #: 173 total cpu time spent up to now is 298.2 secs Computing kpt #: 174 total cpu time spent up to now is 299.6 secs Computing kpt #: 175 total cpu time spent up to now is 301.0 secs Computing kpt #: 176 total cpu time spent up to now is 302.4 secs Computing kpt #: 177 total cpu time spent up to now is 303.8 secs Computing kpt #: 178 total cpu time spent up to now is 305.2 secs Computing kpt #: 179 total cpu time spent up to now is 306.5 secs Computing kpt #: 180 total cpu time spent up to now is 307.9 secs Computing kpt #: 181 total cpu time spent up to now is 309.2 secs Computing kpt #: 182 total cpu time spent up to now is 310.8 secs Computing kpt #: 183 total cpu time spent up to now is 312.1 secs Computing kpt #: 184 total cpu time spent up to now is 313.5 secs Computing kpt #: 185 total cpu time spent up to now is 314.9 secs Computing kpt #: 186 total cpu time spent up to now is 316.4 secs Computing kpt #: 187 total cpu time spent up to now is 317.8 secs Computing kpt #: 188 total cpu time spent up to now is 319.2 secs Computing kpt #: 189 total cpu time spent up to now is 320.6 secs Computing kpt #: 190 total cpu time spent up to now is 322.0 secs Computing kpt #: 191 total cpu time spent up to now is 323.5 secs Computing kpt #: 192 total cpu time spent up to now is 325.1 secs Computing kpt #: 193 total cpu time spent up to now is 326.8 secs Computing kpt #: 194 total cpu time spent up to now is 328.4 secs Computing kpt #: 195 total cpu time spent up to now is 330.1 secs Computing kpt #: 196 total cpu time spent up to now is 331.8 secs Computing kpt #: 197 total cpu time spent up to now is 333.5 secs Computing kpt #: 198 total cpu time spent up to now is 335.2 secs Computing kpt #: 199 total cpu time spent up to now is 336.9 secs Computing kpt #: 200 total cpu time spent up to now is 338.9 secs Computing kpt #: 201 total cpu time spent up to now is 341.0 secs Computing kpt #: 202 total cpu time spent up to now is 343.4 secs Computing kpt #: 203 total cpu time spent up to now is 346.0 secs Computing kpt #: 204 total cpu time spent up to now is 348.6 secs Computing kpt #: 205 total cpu time spent up to now is 351.3 secs Computing kpt #: 206 total cpu time spent up to now is 353.1 secs Computing kpt #: 207 total cpu time spent up to now is 355.0 secs Computing kpt #: 208 total cpu time spent up to now is 356.9 secs Computing kpt #: 209 total cpu time spent up to now is 358.8 secs Computing kpt #: 210 total cpu time spent up to now is 360.6 secs Computing kpt #: 211 total cpu time spent up to now is 362.6 secs Computing kpt #: 212 total cpu time spent up to now is 364.5 secs Computing kpt #: 213 total cpu time spent up to now is 366.2 secs Computing kpt #: 214 total cpu time spent up to now is 368.0 secs Computing kpt #: 215 total cpu time spent up to now is 369.9 secs Computing kpt #: 216 total cpu time spent up to now is 371.8 secs Computing kpt #: 217 total cpu time spent up to now is 373.6 secs Computing kpt #: 218 total cpu time spent up to now is 375.5 secs Computing kpt #: 219 total cpu time spent up to now is 377.2 secs Computing kpt #: 220 total cpu time spent up to now is 379.1 secs Computing kpt #: 221 total cpu time spent up to now is 380.9 secs Computing kpt #: 222 total cpu time spent up to now is 382.6 secs Computing kpt #: 223 total cpu time spent up to now is 384.4 secs Computing kpt #: 224 total cpu time spent up to now is 386.2 secs Computing kpt #: 225 total cpu time spent up to now is 387.9 secs Computing kpt #: 226 total cpu time spent up to now is 389.5 secs Computing kpt #: 227 total cpu time spent up to now is 391.1 secs Computing kpt #: 228 total cpu time spent up to now is 392.8 secs Computing kpt #: 229 total cpu time spent up to now is 394.5 secs Computing kpt #: 230 total cpu time spent up to now is 396.1 secs Computing kpt #: 231 total cpu time spent up to now is 397.8 secs Computing kpt #: 232 total cpu time spent up to now is 399.4 secs Computing kpt #: 233 total cpu time spent up to now is 401.0 secs Computing kpt #: 234 total cpu time spent up to now is 402.7 secs Computing kpt #: 235 total cpu time spent up to now is 404.3 secs Computing kpt #: 236 total cpu time spent up to now is 406.0 secs Computing kpt #: 237 total cpu time spent up to now is 407.6 secs Computing kpt #: 238 total cpu time spent up to now is 409.3 secs Computing kpt #: 239 total cpu time spent up to now is 411.0 secs Computing kpt #: 240 total cpu time spent up to now is 412.6 secs Computing kpt #: 241 total cpu time spent up to now is 414.3 secs Computing kpt #: 242 total cpu time spent up to now is 415.9 secs Computing kpt #: 243 total cpu time spent up to now is 417.7 secs Computing kpt #: 244 total cpu time spent up to now is 419.5 secs Computing kpt #: 245 total cpu time spent up to now is 421.1 secs Computing kpt #: 246 total cpu time spent up to now is 423.1 secs Computing kpt #: 247 total cpu time spent up to now is 424.7 secs Computing kpt #: 248 total cpu time spent up to now is 426.4 secs Computing kpt #: 249 total cpu time spent up to now is 428.1 secs Computing kpt #: 250 total cpu time spent up to now is 429.8 secs Computing kpt #: 251 total cpu time spent up to now is 431.6 secs Computing kpt #: 252 total cpu time spent up to now is 433.3 secs Computing kpt #: 253 total cpu time spent up to now is 435.1 secs Computing kpt #: 254 total cpu time spent up to now is 436.9 secs Computing kpt #: 255 total cpu time spent up to now is 438.8 secs Computing kpt #: 256 total cpu time spent up to now is 440.6 secs Computing kpt #: 257 total cpu time spent up to now is 442.6 secs Computing kpt #: 258 total cpu time spent up to now is 444.4 secs Computing kpt #: 259 total cpu time spent up to now is 446.2 secs Computing kpt #: 260 total cpu time spent up to now is 448.0 secs Computing kpt #: 261 total cpu time spent up to now is 449.9 secs Computing kpt #: 262 total cpu time spent up to now is 451.8 secs ethr = 1.39E-08, avg # of iterations = 24.5 total cpu time spent up to now is 451.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12123 PWs) bands (ev): -14.0526 -14.0526 -13.8563 -13.8563 -13.8076 -13.8076 -13.7707 -13.7707 -12.2431 -12.2431 -12.2206 -12.2206 -12.1261 -12.1261 -12.1162 -12.1162 -6.1044 -6.1044 -6.0921 -6.0921 -6.0274 -6.0274 -6.0248 -6.0248 -5.7887 -5.7887 -5.7716 -5.7716 -5.7248 -5.7248 -5.7003 -5.7003 -5.6656 -5.6656 -5.6618 -5.6618 -4.0063 -4.0063 -3.8025 -3.8025 -2.7339 -2.7339 -2.4992 -2.4992 -2.3694 -2.3694 -2.1158 -2.1158 -1.9523 -1.9523 -1.6023 -1.6023 -1.3628 -1.3628 -1.0891 -1.0891 -1.0678 -1.0678 -0.8452 -0.8452 -0.7211 -0.7211 -0.4980 -0.4980 -0.4947 -0.4947 -0.2956 -0.2956 -0.2407 -0.2407 -0.1237 -0.1237 -0.1050 -0.1050 -0.0701 -0.0701 -0.0660 -0.0660 -0.0268 -0.0268 0.0747 0.0747 0.1225 0.1225 4.1518 4.1518 k =-0.0128 0.0097 0.0167 ( 12125 PWs) bands (ev): -14.0524 -14.0524 -13.8564 -13.8564 -13.8074 -13.8074 -13.7709 -13.7709 -12.2431 -12.2431 -12.2208 -12.2208 -12.1261 -12.1261 -12.1162 -12.1162 -6.1044 -6.1044 -6.0921 -6.0921 -6.0275 -6.0275 -6.0247 -6.0247 -5.7887 -5.7887 -5.7716 -5.7716 -5.7248 -5.7248 -5.7003 -5.7003 -5.6657 -5.6657 -5.6618 -5.6618 -4.0056 -4.0056 -3.8021 -3.8021 -2.7334 -2.7334 -2.4980 -2.4980 -2.3685 -2.3685 -2.1147 -2.1147 -1.9517 -1.9517 -1.6021 -1.6021 -1.3640 -1.3640 -1.0894 -1.0894 -1.0678 -1.0678 -0.8463 -0.8463 -0.7228 -0.7228 -0.5051 -0.5051 -0.4884 -0.4884 -0.2959 -0.2959 -0.2409 -0.2409 -0.1242 -0.1242 -0.1053 -0.1053 -0.0708 -0.0708 -0.0663 -0.0663 -0.0273 -0.0273 0.0741 0.0741 0.1210 0.1210 4.1544 4.1544 k =-0.0257 0.0194 0.0333 ( 12123 PWs) bands (ev): -14.0518 -14.0518 -13.8569 -13.8569 -13.8070 -13.8070 -13.7713 -13.7713 -12.2431 -12.2431 -12.2211 -12.2211 -12.1262 -12.1262 -12.1162 -12.1162 -6.1045 -6.1045 -6.0921 -6.0921 -6.0278 -6.0278 -6.0245 -6.0245 -5.7888 -5.7888 -5.7716 -5.7716 -5.7248 -5.7248 -5.7004 -5.7004 -5.6657 -5.6657 -5.6619 -5.6619 -4.0036 -4.0036 -3.8008 -3.8008 -2.7317 -2.7317 -2.4944 -2.4944 -2.3656 -2.3656 -2.1115 -2.1115 -1.9499 -1.9499 -1.6014 -1.6014 -1.3674 -1.3674 -1.0902 -1.0902 -1.0679 -1.0679 -0.8497 -0.8497 -0.7277 -0.7277 -0.5144 -0.5144 -0.4817 -0.4817 -0.2967 -0.2967 -0.2416 -0.2416 -0.1258 -0.1258 -0.1062 -0.1062 -0.0729 -0.0729 -0.0673 -0.0673 -0.0290 -0.0290 0.0724 0.0724 0.1165 0.1165 4.1622 4.1622 k =-0.0385 0.0290 0.0500 ( 12161 PWs) bands (ev): -14.0507 -14.0507 -13.8576 -13.8576 -13.8064 -13.8064 -13.7720 -13.7720 -12.2432 -12.2432 -12.2217 -12.2217 -12.1262 -12.1262 -12.1162 -12.1162 -6.1047 -6.1047 -6.0921 -6.0921 -6.0283 -6.0283 -6.0244 -6.0244 -5.7891 -5.7891 -5.7716 -5.7716 -5.7248 -5.7248 -5.7006 -5.7006 -5.6659 -5.6659 -5.6620 -5.6620 -4.0003 -4.0003 -3.7986 -3.7986 -2.7289 -2.7289 -2.4886 -2.4886 -2.3608 -2.3608 -2.1063 -2.1063 -1.9469 -1.9469 -1.6003 -1.6003 -1.3729 -1.3729 -1.0916 -1.0916 -1.0680 -1.0680 -0.8552 -0.8552 -0.7359 -0.7359 -0.5244 -0.5244 -0.4760 -0.4760 -0.2981 -0.2981 -0.2427 -0.2427 -0.1283 -0.1283 -0.1077 -0.1077 -0.0763 -0.0763 -0.0691 -0.0691 -0.0318 -0.0318 0.0694 0.0694 0.1094 0.1094 4.1751 4.1751 k =-0.0514 0.0387 0.0666 ( 12157 PWs) bands (ev): -14.0492 -14.0492 -13.8587 -13.8587 -13.8055 -13.8055 -13.7730 -13.7730 -12.2433 -12.2433 -12.2226 -12.2226 -12.1262 -12.1262 -12.1163 -12.1163 -6.1049 -6.1049 -6.0921 -6.0921 -6.0288 -6.0288 -6.0241 -6.0241 -5.7894 -5.7894 -5.7716 -5.7716 -5.7247 -5.7247 -5.7009 -5.7009 -5.6660 -5.6660 -5.6621 -5.6621 -3.9958 -3.9958 -3.7955 -3.7955 -2.7251 -2.7251 -2.4806 -2.4806 -2.3540 -2.3540 -2.0993 -2.0993 -1.9425 -1.9425 -1.5989 -1.5989 -1.3805 -1.3805 -1.0934 -1.0934 -1.0682 -1.0682 -0.8628 -0.8628 -0.7473 -0.7473 -0.5349 -0.5349 -0.4716 -0.4716 -0.3000 -0.3000 -0.2443 -0.2443 -0.1319 -0.1319 -0.1098 -0.1098 -0.0809 -0.0809 -0.0718 -0.0718 -0.0356 -0.0356 0.0649 0.0649 0.1001 0.1001 4.1929 4.1929 k =-0.0642 0.0484 0.0833 ( 12153 PWs) bands (ev): -14.0474 -14.0474 -13.8600 -13.8600 -13.8043 -13.8043 -13.7743 -13.7743 -12.2435 -12.2435 -12.2236 -12.2236 -12.1263 -12.1263 -12.1163 -12.1163 -6.1052 -6.1052 -6.0920 -6.0920 -6.0293 -6.0293 -6.0238 -6.0238 -5.7897 -5.7897 -5.7715 -5.7715 -5.7247 -5.7247 -5.7012 -5.7012 -5.6662 -5.6662 -5.6621 -5.6621 -3.9899 -3.9899 -3.7917 -3.7917 -2.7201 -2.7201 -2.4705 -2.4705 -2.3451 -2.3451 -2.0906 -2.0906 -1.9367 -1.9367 -1.5972 -1.5972 -1.3899 -1.3899 -1.0958 -1.0958 -1.0686 -1.0686 -0.8724 -0.8724 -0.7616 -0.7616 -0.5461 -0.5461 -0.4688 -0.4688 -0.3024 -0.3024 -0.2462 -0.2462 -0.1364 -0.1364 -0.1126 -0.1126 -0.0868 -0.0868 -0.0754 -0.0754 -0.0404 -0.0404 0.0584 0.0584 0.0896 0.0896 4.2155 4.2155 k =-0.0771 0.0581 0.0999 ( 12151 PWs) bands (ev): -14.0451 -14.0451 -13.8617 -13.8617 -13.8029 -13.8029 -13.7758 -13.7758 -12.2437 -12.2437 -12.2249 -12.2249 -12.1264 -12.1264 -12.1163 -12.1163 -6.1055 -6.1055 -6.0920 -6.0920 -6.0300 -6.0300 -6.0236 -6.0236 -5.7901 -5.7901 -5.7715 -5.7715 -5.7246 -5.7246 -5.7015 -5.7015 -5.6663 -5.6663 -5.6622 -5.6622 -3.9828 -3.9828 -3.7870 -3.7870 -2.7141 -2.7141 -2.4586 -2.4586 -2.3339 -2.3339 -2.0805 -2.0805 -1.9292 -1.9292 -1.5955 -1.5955 -1.4007 -1.4007 -1.0985 -1.0985 -1.0691 -1.0691 -0.8837 -0.8837 -0.7787 -0.7787 -0.5578 -0.5578 -0.4678 -0.4678 -0.3054 -0.3054 -0.2486 -0.2486 -0.1420 -0.1420 -0.1160 -0.1160 -0.0939 -0.0939 -0.0800 -0.0800 -0.0461 -0.0461 0.0493 0.0493 0.0790 0.0790 4.2425 4.2425 k =-0.0899 0.0678 0.1166 ( 12167 PWs) bands (ev): -14.0424 -14.0424 -13.8635 -13.8635 -13.8013 -13.8013 -13.7776 -13.7776 -12.2439 -12.2439 -12.2263 -12.2263 -12.1266 -12.1266 -12.1163 -12.1163 -6.1060 -6.1060 -6.0920 -6.0920 -6.0306 -6.0306 -6.0234 -6.0234 -5.7907 -5.7907 -5.7715 -5.7715 -5.7245 -5.7245 -5.7020 -5.7020 -5.6666 -5.6666 -5.6624 -5.6624 -3.9745 -3.9745 -3.7816 -3.7816 -2.7070 -2.7070 -2.4450 -2.4450 -2.3205 -2.3205 -2.0694 -2.0694 -1.9197 -1.9197 -1.5940 -1.5940 -1.4127 -1.4127 -1.1017 -1.1017 -1.0698 -1.0698 -0.8966 -0.8966 -0.7984 -0.7984 -0.5701 -0.5701 -0.4687 -0.4687 -0.3090 -0.3090 -0.2513 -0.2513 -0.1485 -0.1485 -0.1200 -0.1200 -0.1022 -0.1022 -0.0856 -0.0856 -0.0525 -0.0525 0.0372 0.0372 0.0693 0.0693 4.2737 4.2737 k =-0.1027 0.0774 0.1333 ( 12155 PWs) bands (ev): -14.0394 -14.0394 -13.8657 -13.8657 -13.7994 -13.7994 -13.7797 -13.7797 -12.2443 -12.2443 -12.2279 -12.2279 -12.1268 -12.1268 -12.1163 -12.1163 -6.1064 -6.1064 -6.0919 -6.0919 -6.0313 -6.0313 -6.0233 -6.0233 -5.7912 -5.7912 -5.7714 -5.7714 -5.7243 -5.7243 -5.7025 -5.7025 -5.6669 -5.6669 -5.6624 -5.6624 -3.9650 -3.9650 -3.7755 -3.7755 -2.6990 -2.6990 -2.4301 -2.4301 -2.3045 -2.3045 -2.0578 -2.0578 -1.9081 -1.9081 -1.5929 -1.5929 -1.4254 -1.4254 -1.1053 -1.1053 -1.0708 -1.0708 -0.9108 -0.9108 -0.8204 -0.8204 -0.5832 -0.5832 -0.4719 -0.4719 -0.3131 -0.3131 -0.2543 -0.2543 -0.1560 -0.1560 -0.1247 -0.1247 -0.1117 -0.1117 -0.0924 -0.0924 -0.0596 -0.0596 0.0227 0.0227 0.0604 0.0604 4.3088 4.3088 k =-0.1156 0.0871 0.1499 ( 12155 PWs) bands (ev): -14.0360 -14.0360 -13.8681 -13.8681 -13.7974 -13.7974 -13.7819 -13.7819 -12.2446 -12.2446 -12.2297 -12.2297 -12.1270 -12.1270 -12.1162 -12.1162 -6.1069 -6.1069 -6.0918 -6.0918 -6.0320 -6.0320 -6.0231 -6.0231 -5.7918 -5.7918 -5.7713 -5.7713 -5.7242 -5.7242 -5.7030 -5.7030 -5.6672 -5.6672 -5.6625 -5.6625 -3.9544 -3.9544 -3.7687 -3.7687 -2.6899 -2.6899 -2.4142 -2.4142 -2.2858 -2.2858 -2.0460 -2.0460 -1.8940 -1.8940 -1.5927 -1.5927 -1.4382 -1.4382 -1.1095 -1.1095 -1.0720 -1.0720 -0.9261 -0.9261 -0.8442 -0.8442 -0.5971 -0.5971 -0.4776 -0.4776 -0.3176 -0.3176 -0.2577 -0.2577 -0.1646 -0.1646 -0.1299 -0.1299 -0.1224 -0.1224 -0.1003 -0.1003 -0.0671 -0.0671 0.0070 0.0070 0.0517 0.0517 4.3474 4.3474 k =-0.1284 0.0968 0.1666 ( 12147 PWs) bands (ev): -14.0323 -14.0323 -13.8707 -13.8707 -13.7951 -13.7951 -13.7844 -13.7844 -12.2451 -12.2451 -12.2316 -12.2316 -12.1273 -12.1273 -12.1161 -12.1161 -6.1075 -6.1075 -6.0918 -6.0918 -6.0327 -6.0327 -6.0230 -6.0230 -5.7925 -5.7925 -5.7713 -5.7713 -5.7241 -5.7241 -5.7036 -5.7036 -5.6676 -5.6676 -5.6625 -5.6625 -3.9427 -3.9427 -3.7612 -3.7612 -2.6798 -2.6798 -2.3974 -2.3974 -2.2645 -2.2645 -2.0345 -2.0345 -1.8772 -1.8772 -1.5937 -1.5937 -1.4504 -1.4504 -1.1143 -1.1143 -1.0734 -1.0734 -0.9425 -0.9425 -0.8694 -0.8694 -0.6120 -0.6120 -0.4858 -0.4858 -0.3227 -0.3227 -0.2613 -0.2613 -0.1742 -0.1742 -0.1358 -0.1358 -0.1341 -0.1341 -0.1095 -0.1095 -0.0750 -0.0750 -0.0090 -0.0090 0.0430 0.0430 4.3891 4.3891 k =-0.1413 0.1065 0.1832 ( 12133 PWs) bands (ev): -14.0283 -14.0283 -13.8735 -13.8735 -13.7926 -13.7926 -13.7871 -13.7871 -12.2457 -12.2457 -12.2337 -12.2337 -12.1277 -12.1277 -12.1159 -12.1159 -6.1080 -6.1080 -6.0917 -6.0917 -6.0334 -6.0334 -6.0229 -6.0229 -5.7932 -5.7932 -5.7713 -5.7713 -5.7239 -5.7239 -5.7041 -5.7041 -5.6680 -5.6680 -5.6625 -5.6625 -3.9300 -3.9300 -3.7533 -3.7533 -2.6688 -2.6688 -2.3802 -2.3802 -2.2403 -2.2403 -2.0237 -2.0237 -1.8577 -1.8577 -1.5967 -1.5967 -1.4613 -1.4613 -1.1198 -1.1198 -1.0751 -1.0751 -0.9597 -0.9597 -0.8952 -0.8952 -0.6280 -0.6280 -0.4968 -0.4968 -0.3281 -0.3281 -0.2652 -0.2652 -0.1849 -0.1849 -0.1466 -0.1466 -0.1423 -0.1423 -0.1197 -0.1197 -0.0831 -0.0831 -0.0247 -0.0247 0.0338 0.0338 4.4336 4.4336 k =-0.1541 0.1162 0.1999 ( 12133 PWs) bands (ev): -14.0240 -14.0240 -13.8765 -13.8765 -13.7900 -13.7900 -13.7899 -13.7899 -12.2463 -12.2463 -12.2358 -12.2358 -12.1281 -12.1281 -12.1157 -12.1157 -6.1087 -6.1087 -6.0917 -6.0917 -6.0341 -6.0341 -6.0229 -6.0229 -5.7939 -5.7939 -5.7712 -5.7712 -5.7238 -5.7238 -5.7048 -5.7048 -5.6685 -5.6685 -5.6625 -5.6625 -3.9163 -3.9163 -3.7448 -3.7448 -2.6569 -2.6569 -2.3626 -2.3626 -2.2133 -2.2133 -2.0136 -2.0136 -1.8354 -1.8354 -1.6019 -1.6019 -1.4703 -1.4703 -1.1262 -1.1262 -1.0772 -1.0772 -0.9779 -0.9779 -0.9207 -0.9207 -0.6455 -0.6455 -0.5103 -0.5103 -0.3338 -0.3338 -0.2693 -0.2693 -0.1967 -0.1967 -0.1597 -0.1597 -0.1493 -0.1493 -0.1310 -0.1310 -0.0914 -0.0914 -0.0398 -0.0398 0.0242 0.0242 4.4806 4.4806 k =-0.1670 0.1258 0.2165 ( 12135 PWs) bands (ev): -14.0195 -14.0195 -13.8797 -13.8797 -13.7929 -13.7929 -13.7872 -13.7872 -12.2471 -12.2471 -12.2381 -12.2381 -12.1287 -12.1287 -12.1154 -12.1154 -6.1093 -6.1093 -6.0916 -6.0916 -6.0349 -6.0349 -6.0229 -6.0229 -5.7947 -5.7947 -5.7712 -5.7712 -5.7236 -5.7236 -5.7054 -5.7054 -5.6691 -5.6691 -5.6624 -5.6624 -3.9018 -3.9018 -3.7359 -3.7359 -2.6441 -2.6441 -2.3448 -2.3448 -2.1836 -2.1836 -2.0046 -2.0046 -1.8108 -1.8108 -1.6094 -1.6094 -1.4771 -1.4771 -1.1337 -1.1337 -1.0799 -1.0799 -0.9974 -0.9974 -0.9444 -0.9444 -0.6648 -0.6648 -0.5261 -0.5261 -0.3398 -0.3398 -0.2737 -0.2737 -0.2096 -0.2096 -0.1731 -0.1731 -0.1567 -0.1567 -0.1431 -0.1431 -0.0999 -0.0999 -0.0542 -0.0542 0.0140 0.0140 4.5296 4.5296 k =-0.1798 0.1355 0.2332 ( 12135 PWs) bands (ev): -14.0147 -14.0147 -13.8830 -13.8830 -13.7961 -13.7961 -13.7843 -13.7843 -12.2479 -12.2479 -12.2404 -12.2404 -12.1293 -12.1293 -12.1150 -12.1150 -6.1100 -6.1100 -6.0916 -6.0916 -6.0356 -6.0356 -6.0229 -6.0229 -5.7955 -5.7955 -5.7713 -5.7713 -5.7234 -5.7234 -5.7061 -5.7061 -5.6697 -5.6697 -5.6623 -5.6623 -3.8865 -3.8865 -3.7266 -3.7266 -2.6306 -2.6306 -2.3270 -2.3270 -2.1516 -2.1516 -1.9964 -1.9964 -1.7842 -1.7842 -1.6187 -1.6187 -1.4817 -1.4817 -1.1427 -1.1427 -1.0838 -1.0838 -1.0180 -1.0180 -0.9648 -0.9648 -0.6860 -0.6860 -0.5436 -0.5436 -0.3459 -0.3459 -0.2782 -0.2782 -0.2236 -0.2236 -0.1865 -0.1865 -0.1646 -0.1646 -0.1560 -0.1560 -0.1084 -0.1084 -0.0679 -0.0679 0.0032 0.0032 4.5804 4.5804 k =-0.1927 0.1452 0.2499 ( 12143 PWs) bands (ev): -14.0097 -14.0097 -13.8864 -13.8864 -13.7993 -13.7993 -13.7813 -13.7813 -12.2488 -12.2488 -12.2427 -12.2427 -12.1299 -12.1299 -12.1145 -12.1145 -6.1108 -6.1108 -6.0915 -6.0915 -6.0364 -6.0364 -6.0230 -6.0230 -5.7963 -5.7963 -5.7713 -5.7713 -5.7233 -5.7233 -5.7068 -5.7068 -5.6703 -5.6703 -5.6622 -5.6622 -3.8704 -3.8704 -3.7170 -3.7170 -2.6163 -2.6163 -2.3091 -2.3091 -2.1173 -2.1173 -1.9892 -1.9892 -1.7567 -1.7567 -1.6286 -1.6286 -1.4846 -1.4846 -1.1537 -1.1537 -1.0897 -1.0897 -1.0382 -1.0382 -0.9813 -0.9813 -0.7096 -0.7096 -0.5624 -0.5624 -0.3520 -0.3520 -0.2829 -0.2829 -0.2387 -0.2387 -0.2000 -0.2000 -0.1729 -0.1729 -0.1695 -0.1695 -0.1170 -0.1170 -0.0811 -0.0811 -0.0081 -0.0081 4.6324 4.6324 k =-0.2055 0.1549 0.2665 ( 12125 PWs) bands (ev): -14.0046 -14.0046 -13.8900 -13.8900 -13.8027 -13.8027 -13.7781 -13.7781 -12.2499 -12.2499 -12.2450 -12.2450 -12.1307 -12.1307 -12.1139 -12.1139 -6.1115 -6.1115 -6.0915 -6.0915 -6.0370 -6.0370 -6.0231 -6.0231 -5.7971 -5.7971 -5.7713 -5.7713 -5.7231 -5.7231 -5.7075 -5.7075 -5.6709 -5.6709 -5.6619 -5.6619 -3.8537 -3.8537 -3.7072 -3.7072 -2.6013 -2.6013 -2.2913 -2.2913 -2.0813 -2.0813 -1.9827 -1.9827 -1.7304 -1.7304 -1.6367 -1.6367 -1.4861 -1.4861 -1.1676 -1.1676 -1.0993 -1.0993 -1.0548 -1.0548 -0.9939 -0.9939 -0.7355 -0.7355 -0.5818 -0.5818 -0.3583 -0.3583 -0.2878 -0.2878 -0.2547 -0.2547 -0.2133 -0.2133 -0.1834 -0.1834 -0.1816 -0.1816 -0.1256 -0.1256 -0.0939 -0.0939 -0.0200 -0.0200 4.6855 4.6855 k =-0.2183 0.1645 0.2832 ( 12119 PWs) bands (ev): -13.9993 -13.9993 -13.8936 -13.8936 -13.8061 -13.8061 -13.7749 -13.7749 -12.2510 -12.2510 -12.2474 -12.2474 -12.1315 -12.1315 -12.1132 -12.1132 -6.1122 -6.1122 -6.0914 -6.0914 -6.0377 -6.0377 -6.0232 -6.0232 -5.7979 -5.7979 -5.7714 -5.7714 -5.7229 -5.7229 -5.7082 -5.7082 -5.6716 -5.6716 -5.6617 -5.6617 -3.8365 -3.8365 -3.6973 -3.6973 -2.5858 -2.5858 -2.2735 -2.2735 -2.0441 -2.0441 -1.9769 -1.9769 -1.7105 -1.7105 -1.6378 -1.6378 -1.4866 -1.4866 -1.1855 -1.1855 -1.1119 -1.1119 -1.0660 -1.0660 -1.0032 -1.0032 -0.7636 -0.7636 -0.6013 -0.6013 -0.3645 -0.3645 -0.2930 -0.2930 -0.2715 -0.2715 -0.2264 -0.2264 -0.1976 -0.1976 -0.1908 -0.1908 -0.1342 -0.1342 -0.1064 -0.1064 -0.0324 -0.0324 4.7393 4.7393 k =-0.2312 0.1742 0.2998 ( 12111 PWs) bands (ev): -13.9939 -13.9939 -13.8972 -13.8972 -13.8096 -13.8096 -13.7717 -13.7717 -12.2522 -12.2522 -12.2498 -12.2498 -12.1325 -12.1325 -12.1124 -12.1124 -6.1130 -6.1130 -6.0914 -6.0914 -6.0384 -6.0384 -6.0233 -6.0233 -5.7987 -5.7987 -5.7715 -5.7715 -5.7227 -5.7227 -5.7089 -5.7089 -5.6723 -5.6723 -5.6614 -5.6614 -3.8188 -3.8188 -3.6872 -3.6872 -2.5697 -2.5697 -2.2560 -2.2560 -2.0073 -2.0073 -1.9706 -1.9706 -1.7038 -1.7038 -1.6249 -1.6249 -1.4860 -1.4860 -1.2082 -1.2082 -1.1244 -1.1244 -1.0733 -1.0733 -1.0094 -1.0094 -0.7937 -0.7937 -0.6206 -0.6206 -0.3707 -0.3707 -0.2996 -0.2996 -0.2879 -0.2879 -0.2395 -0.2395 -0.2121 -0.2121 -0.2004 -0.2004 -0.1428 -0.1428 -0.1188 -0.1188 -0.0452 -0.0452 4.7934 4.7934 k =-0.2440 0.1839 0.3165 ( 12103 PWs) bands (ev): -13.9884 -13.9884 -13.9009 -13.9009 -13.8131 -13.8131 -13.7683 -13.7683 -12.2535 -12.2535 -12.2521 -12.2521 -12.1334 -12.1334 -12.1116 -12.1116 -6.1137 -6.1137 -6.0913 -6.0913 -6.0391 -6.0391 -6.0235 -6.0235 -5.7994 -5.7994 -5.7716 -5.7716 -5.7226 -5.7226 -5.7096 -5.7096 -5.6731 -5.6731 -5.6610 -5.6610 -3.8008 -3.8008 -3.6771 -3.6771 -2.5531 -2.5531 -2.2387 -2.2387 -1.9799 -1.9799 -1.9554 -1.9554 -1.7074 -1.7074 -1.6019 -1.6019 -1.4834 -1.4834 -1.2347 -1.2347 -1.1345 -1.1345 -1.0789 -1.0789 -1.0130 -1.0130 -0.8251 -0.8251 -0.6396 -0.6396 -0.3768 -0.3768 -0.3126 -0.3126 -0.2989 -0.2989 -0.2526 -0.2526 -0.2266 -0.2266 -0.2106 -0.2106 -0.1512 -0.1512 -0.1310 -0.1310 -0.0584 -0.0584 4.8476 4.8476 k =-0.2569 0.1936 0.3331 ( 12111 PWs) bands (ev): -13.9829 -13.9829 -13.9046 -13.9046 -13.8166 -13.8166 -13.7650 -13.7650 -12.2549 -12.2549 -12.2544 -12.2544 -12.1345 -12.1345 -12.1107 -12.1107 -6.1145 -6.1145 -6.0913 -6.0913 -6.0397 -6.0397 -6.0237 -6.0237 -5.8002 -5.8002 -5.7718 -5.7718 -5.7224 -5.7224 -5.7104 -5.7104 -5.6739 -5.6739 -5.6606 -5.6606 -3.7826 -3.7826 -3.6671 -3.6671 -2.5363 -2.5363 -2.2219 -2.2219 -1.9718 -1.9718 -1.9221 -1.9221 -1.7141 -1.7141 -1.5782 -1.5782 -1.4763 -1.4763 -1.2637 -1.2637 -1.1419 -1.1419 -1.0839 -1.0839 -1.0144 -1.0144 -0.8572 -0.8572 -0.6583 -0.6583 -0.3830 -0.3830 -0.3312 -0.3312 -0.3049 -0.3049 -0.2658 -0.2658 -0.2409 -0.2409 -0.2215 -0.2215 -0.1596 -0.1596 -0.1432 -0.1432 -0.0719 -0.0719 4.9014 4.9014 k =-0.2697 0.2033 0.3498 ( 12113 PWs) bands (ev): -13.9774 -13.9774 -13.9083 -13.9083 -13.8201 -13.8201 -13.7617 -13.7617 -12.2566 -12.2566 -12.2563 -12.2563 -12.1356 -12.1356 -12.1097 -12.1097 -6.1152 -6.1152 -6.0913 -6.0913 -6.0403 -6.0403 -6.0240 -6.0240 -5.8009 -5.8009 -5.7720 -5.7720 -5.7222 -5.7222 -5.7110 -5.7110 -5.6747 -5.6747 -5.6602 -5.6602 -3.7642 -3.7642 -3.6572 -3.6572 -2.5192 -2.5192 -2.2056 -2.2056 -1.9690 -1.9690 -1.8865 -1.8865 -1.7197 -1.7197 -1.5602 -1.5602 -1.4614 -1.4614 -1.2936 -1.2936 -1.1470 -1.1470 -1.0886 -1.0886 -1.0137 -1.0137 -0.8890 -0.8890 -0.6766 -0.6766 -0.3892 -0.3892 -0.3514 -0.3514 -0.3101 -0.3101 -0.2792 -0.2792 -0.2548 -0.2548 -0.2330 -0.2330 -0.1677 -0.1677 -0.1552 -0.1552 -0.0857 -0.0857 4.9547 4.9547 k =-0.2826 0.2129 0.3665 ( 12117 PWs) bands (ev): -13.9719 -13.9719 -13.9120 -13.9120 -13.8235 -13.8235 -13.7584 -13.7584 -12.2588 -12.2588 -12.2578 -12.2578 -12.1368 -12.1368 -12.1087 -12.1087 -6.1160 -6.1160 -6.0913 -6.0913 -6.0409 -6.0409 -6.0242 -6.0242 -5.8017 -5.8017 -5.7722 -5.7722 -5.7221 -5.7221 -5.7118 -5.7118 -5.6755 -5.6755 -5.6598 -5.6598 -3.7458 -3.7458 -3.6474 -3.6474 -2.5020 -2.5020 -2.1899 -2.1899 -1.9675 -1.9675 -1.8543 -1.8543 -1.7216 -1.7216 -1.5503 -1.5503 -1.4377 -1.4377 -1.3229 -1.3229 -1.1507 -1.1507 -1.0933 -1.0933 -1.0113 -1.0113 -0.9197 -0.9197 -0.6946 -0.6946 -0.3953 -0.3953 -0.3724 -0.3724 -0.3150 -0.3150 -0.2933 -0.2933 -0.2677 -0.2677 -0.2454 -0.2454 -0.1758 -0.1758 -0.1671 -0.1671 -0.0997 -0.0997 5.0071 5.0071 k =-0.2954 0.2226 0.3831 ( 12113 PWs) bands (ev): -13.9665 -13.9665 -13.9155 -13.9155 -13.8269 -13.8269 -13.7552 -13.7552 -12.2608 -12.2608 -12.2593 -12.2593 -12.1380 -12.1380 -12.1076 -12.1076 -6.1167 -6.1167 -6.0913 -6.0913 -6.0415 -6.0415 -6.0245 -6.0245 -5.8023 -5.8023 -5.7724 -5.7724 -5.7219 -5.7219 -5.7124 -5.7124 -5.6763 -5.6763 -5.6593 -5.6593 -3.7276 -3.7276 -3.6379 -3.6379 -2.4848 -2.4848 -2.1752 -2.1752 -1.9669 -1.9669 -1.8295 -1.8295 -1.7172 -1.7172 -1.5454 -1.5454 -1.4104 -1.4104 -1.3485 -1.3485 -1.1539 -1.1539 -1.0976 -1.0976 -1.0073 -1.0073 -0.9481 -0.9481 -0.7124 -0.7124 -0.4016 -0.4016 -0.3940 -0.3940 -0.3199 -0.3199 -0.3081 -0.3081 -0.2796 -0.2796 -0.2585 -0.2585 -0.1837 -0.1837 -0.1787 -0.1787 -0.1138 -0.1138 5.0584 5.0584 k =-0.3082 0.2323 0.3998 ( 12095 PWs) bands (ev): -13.9612 -13.9612 -13.9190 -13.9190 -13.8302 -13.8302 -13.7520 -13.7520 -12.2628 -12.2628 -12.2608 -12.2608 -12.1392 -12.1392 -12.1065 -12.1065 -6.1173 -6.1173 -6.0913 -6.0913 -6.0419 -6.0419 -6.0247 -6.0247 -5.8029 -5.8029 -5.7727 -5.7727 -5.7217 -5.7217 -5.7130 -5.7130 -5.6771 -5.6771 -5.6588 -5.6588 -3.7095 -3.7095 -3.6286 -3.6286 -2.4678 -2.4678 -2.1616 -2.1616 -1.9667 -1.9667 -1.8146 -1.8146 -1.7057 -1.7057 -1.5416 -1.5416 -1.4002 -1.4002 -1.3521 -1.3521 -1.1581 -1.1581 -1.1010 -1.1010 -1.0018 -1.0018 -0.9730 -0.9730 -0.7299 -0.7299 -0.4159 -0.4159 -0.4080 -0.4080 -0.3266 -0.3266 -0.3220 -0.3220 -0.2902 -0.2902 -0.2724 -0.2724 -0.1916 -0.1916 -0.1898 -0.1898 -0.1279 -0.1279 5.1082 5.1082 k =-0.3211 0.2420 0.4164 ( 12101 PWs) bands (ev): -13.9560 -13.9560 -13.9224 -13.9224 -13.8334 -13.8334 -13.7489 -13.7489 -12.2647 -12.2647 -12.2623 -12.2623 -12.1405 -12.1405 -12.1054 -12.1054 -6.1180 -6.1180 -6.0913 -6.0913 -6.0424 -6.0424 -6.0250 -6.0250 -5.8035 -5.8035 -5.7730 -5.7730 -5.7215 -5.7215 -5.7136 -5.7136 -5.6779 -5.6779 -5.6582 -5.6582 -3.6919 -3.6919 -3.6198 -3.6198 -2.4510 -2.4510 -2.1492 -2.1492 -1.9666 -1.9666 -1.8084 -1.8084 -1.6908 -1.6908 -1.5355 -1.5355 -1.4185 -1.4185 -1.3237 -1.3237 -1.1648 -1.1648 -1.1023 -1.1023 -0.9966 -0.9966 -0.9918 -0.9918 -0.7470 -0.7470 -0.4380 -0.4380 -0.4145 -0.4145 -0.3418 -0.3418 -0.3282 -0.3282 -0.2996 -0.2996 -0.2869 -0.2869 -0.2008 -0.2008 -0.1988 -0.1988 -0.1418 -0.1418 5.1563 5.1563 k =-0.3339 0.2517 0.4331 ( 12099 PWs) bands (ev): -13.9510 -13.9510 -13.9256 -13.9256 -13.8365 -13.8365 -13.7460 -13.7460 -12.2665 -12.2665 -12.2637 -12.2637 -12.1418 -12.1418 -12.1043 -12.1043 -6.1186 -6.1186 -6.0913 -6.0913 -6.0429 -6.0429 -6.0253 -6.0253 -5.8041 -5.8041 -5.7733 -5.7733 -5.7213 -5.7213 -5.7142 -5.7142 -5.6786 -5.6786 -5.6577 -5.6577 -3.6747 -3.6747 -3.6113 -3.6113 -2.4347 -2.4347 -2.1383 -2.1383 -1.9662 -1.9662 -1.8072 -1.8072 -1.6782 -1.6782 -1.5261 -1.5261 -1.4393 -1.4393 -1.2888 -1.2888 -1.1749 -1.1749 -1.1007 -1.1007 -1.0100 -1.0100 -0.9857 -0.9857 -0.7639 -0.7639 -0.4601 -0.4601 -0.4212 -0.4212 -0.3593 -0.3593 -0.3335 -0.3335 -0.3082 -0.3082 -0.3014 -0.3014 -0.2108 -0.2108 -0.2064 -0.2064 -0.1556 -0.1556 5.2023 5.2023 k =-0.3468 0.2613 0.4497 ( 12099 PWs) bands (ev): -13.9462 -13.9462 -13.9287 -13.9287 -13.8394 -13.8394 -13.7431 -13.7431 -12.2681 -12.2681 -12.2652 -12.2652 -12.1430 -12.1430 -12.1032 -12.1032 -6.1192 -6.1192 -6.0913 -6.0913 -6.0433 -6.0433 -6.0257 -6.0257 -5.8046 -5.8046 -5.7736 -5.7736 -5.7212 -5.7212 -5.7148 -5.7148 -5.6794 -5.6794 -5.6572 -5.6572 -3.6582 -3.6582 -3.6032 -3.6032 -2.4188 -2.4188 -2.1289 -2.1289 -1.9654 -1.9654 -1.8085 -1.8085 -1.6710 -1.6710 -1.5185 -1.5185 -1.4520 -1.4520 -1.2540 -1.2540 -1.1872 -1.1872 -1.0963 -1.0963 -1.0210 -1.0210 -0.9756 -0.9756 -0.7803 -0.7803 -0.4820 -0.4820 -0.4281 -0.4281 -0.3776 -0.3776 -0.3401 -0.3401 -0.3180 -0.3180 -0.3127 -0.3127 -0.2201 -0.2201 -0.2138 -0.2138 -0.1691 -0.1691 5.2462 5.2462 k =-0.3596 0.2710 0.4664 ( 12115 PWs) bands (ev): -13.9417 -13.9417 -13.9316 -13.9316 -13.8422 -13.8422 -13.7405 -13.7405 -12.2697 -12.2697 -12.2666 -12.2666 -12.1443 -12.1443 -12.1021 -12.1021 -6.1198 -6.1198 -6.0914 -6.0914 -6.0437 -6.0437 -6.0260 -6.0260 -5.8051 -5.8051 -5.7739 -5.7739 -5.7210 -5.7210 -5.7153 -5.7153 -5.6801 -5.6801 -5.6567 -5.6567 -3.6424 -3.6424 -3.5957 -3.5957 -2.4037 -2.4037 -2.1211 -2.1211 -1.9640 -1.9640 -1.8110 -1.8110 -1.6690 -1.6690 -1.5228 -1.5228 -1.4479 -1.4479 -1.2216 -1.2216 -1.1990 -1.1990 -1.0893 -1.0893 -1.0281 -1.0281 -0.9637 -0.9637 -0.7961 -0.7961 -0.5035 -0.5035 -0.4353 -0.4353 -0.3967 -0.3967 -0.3509 -0.3509 -0.3277 -0.3277 -0.3195 -0.3195 -0.2287 -0.2287 -0.2210 -0.2210 -0.1821 -0.1821 5.2875 5.2875 k =-0.3725 0.2807 0.4831 ( 12110 PWs) bands (ev): -13.9375 -13.9375 -13.9343 -13.9343 -13.8447 -13.8447 -13.7379 -13.7379 -12.2711 -12.2711 -12.2679 -12.2679 -12.1454 -12.1454 -12.1011 -12.1011 -6.1203 -6.1203 -6.0914 -6.0914 -6.0440 -6.0440 -6.0263 -6.0263 -5.8055 -5.8055 -5.7743 -5.7743 -5.7208 -5.7208 -5.7158 -5.7158 -5.6807 -5.6807 -5.6562 -5.6562 -3.6274 -3.6274 -3.5887 -3.5887 -2.3893 -2.3893 -2.1150 -2.1150 -1.9618 -1.9618 -1.8141 -1.8141 -1.6703 -1.6703 -1.5372 -1.5372 -1.4322 -1.4322 -1.2127 -1.2127 -1.1880 -1.1880 -1.0800 -1.0800 -1.0318 -1.0318 -0.9498 -0.9498 -0.8112 -0.8112 -0.5244 -0.5244 -0.4426 -0.4426 -0.4163 -0.4163 -0.3664 -0.3664 -0.3337 -0.3337 -0.3246 -0.3246 -0.2364 -0.2364 -0.2280 -0.2280 -0.1946 -0.1946 5.3260 5.3260 k =-0.3853 0.2904 0.4997 ( 12100 PWs) bands (ev): -13.9368 -13.9368 -13.9335 -13.9335 -13.8471 -13.8471 -13.7356 -13.7356 -12.2723 -12.2723 -12.2692 -12.2692 -12.1466 -12.1466 -12.1001 -12.1001 -6.1208 -6.1208 -6.0915 -6.0915 -6.0443 -6.0443 -6.0266 -6.0266 -5.8059 -5.8059 -5.7746 -5.7746 -5.7207 -5.7207 -5.7162 -5.7162 -5.6813 -5.6813 -5.6556 -5.6556 -3.6135 -3.6135 -3.5822 -3.5822 -2.3759 -2.3759 -2.1104 -2.1104 -1.9590 -1.9590 -1.8177 -1.8177 -1.6734 -1.6734 -1.5544 -1.5544 -1.4159 -1.4159 -1.2173 -1.2173 -1.1624 -1.1624 -1.0685 -1.0685 -1.0327 -1.0327 -0.9336 -0.9336 -0.8254 -0.8254 -0.5446 -0.5446 -0.4503 -0.4503 -0.4364 -0.4364 -0.3844 -0.3844 -0.3375 -0.3375 -0.3287 -0.3287 -0.2433 -0.2433 -0.2348 -0.2348 -0.2065 -0.2065 5.3616 5.3616 k =-0.3982 0.3001 0.5164 ( 12094 PWs) bands (ev): -13.9391 -13.9391 -13.9299 -13.9299 -13.8493 -13.8493 -13.7335 -13.7335 -12.2735 -12.2735 -12.2703 -12.2703 -12.1476 -12.1476 -12.0992 -12.0992 -6.1212 -6.1212 -6.0915 -6.0915 -6.0446 -6.0446 -6.0268 -6.0268 -5.8062 -5.8062 -5.7749 -5.7749 -5.7206 -5.7206 -5.7166 -5.7166 -5.6819 -5.6819 -5.6551 -5.6551 -3.6007 -3.6007 -3.5764 -3.5764 -2.3635 -2.3635 -2.1070 -2.1070 -1.9556 -1.9556 -1.8214 -1.8214 -1.6772 -1.6772 -1.5713 -1.5713 -1.4048 -1.4048 -1.2156 -1.2156 -1.1410 -1.1410 -1.0554 -1.0554 -1.0312 -1.0312 -0.9150 -0.9150 -0.8384 -0.8384 -0.5638 -0.5638 -0.4601 -0.4601 -0.4549 -0.4549 -0.4034 -0.4034 -0.3402 -0.3402 -0.3318 -0.3318 -0.2493 -0.2493 -0.2414 -0.2414 -0.2175 -0.2175 5.3939 5.3939 k =-0.4110 0.3097 0.5330 ( 12076 PWs) bands (ev): -13.9412 -13.9412 -13.9267 -13.9267 -13.8512 -13.8512 -13.7316 -13.7316 -12.2745 -12.2745 -12.2714 -12.2714 -12.1486 -12.1486 -12.0983 -12.0983 -6.1215 -6.1215 -6.0915 -6.0915 -6.0448 -6.0448 -6.0271 -6.0271 -5.8064 -5.8064 -5.7752 -5.7752 -5.7204 -5.7204 -5.7170 -5.7170 -5.6824 -5.6824 -5.6546 -5.6546 -3.5891 -3.5891 -3.5711 -3.5711 -2.3523 -2.3523 -2.1047 -2.1047 -1.9519 -1.9519 -1.8253 -1.8253 -1.6811 -1.6811 -1.5868 -1.5868 -1.4005 -1.4005 -1.2071 -1.2071 -1.1242 -1.1242 -1.0418 -1.0418 -1.0270 -1.0270 -0.8942 -0.8942 -0.8499 -0.8499 -0.5821 -0.5821 -0.4794 -0.4794 -0.4644 -0.4644 -0.4225 -0.4225 -0.3422 -0.3422 -0.3341 -0.3341 -0.2546 -0.2546 -0.2476 -0.2476 -0.2276 -0.2276 5.4229 5.4229 k =-0.4238 0.3194 0.5497 ( 12070 PWs) bands (ev): -13.9430 -13.9430 -13.9238 -13.9238 -13.8530 -13.8530 -13.7299 -13.7299 -12.2753 -12.2753 -12.2723 -12.2723 -12.1495 -12.1495 -12.0976 -12.0976 -6.1218 -6.1218 -6.0915 -6.0915 -6.0450 -6.0450 -6.0273 -6.0273 -5.8067 -5.8067 -5.7754 -5.7754 -5.7203 -5.7203 -5.7173 -5.7173 -5.6828 -5.6828 -5.6542 -5.6542 -3.5789 -3.5789 -3.5666 -3.5666 -2.3423 -2.3423 -2.1031 -2.1031 -1.9482 -1.9482 -1.8292 -1.8292 -1.6847 -1.6847 -1.6005 -1.6005 -1.4016 -1.4016 -1.1942 -1.1942 -1.1115 -1.1115 -1.0293 -1.0293 -1.0198 -1.0198 -0.8744 -0.8744 -0.8566 -0.8566 -0.5993 -0.5993 -0.5006 -0.5006 -0.4723 -0.4723 -0.4409 -0.4409 -0.3436 -0.3436 -0.3357 -0.3357 -0.2591 -0.2591 -0.2534 -0.2534 -0.2365 -0.2365 5.4484 5.4484 k =-0.4367 0.3291 0.5663 ( 12058 PWs) bands (ev): -13.9445 -13.9445 -13.9214 -13.9214 -13.8544 -13.8544 -13.7285 -13.7285 -12.2761 -12.2761 -12.2731 -12.2731 -12.1503 -12.1503 -12.0970 -12.0970 -6.1221 -6.1221 -6.0915 -6.0915 -6.0451 -6.0451 -6.0275 -6.0275 -5.8069 -5.8069 -5.7756 -5.7756 -5.7202 -5.7202 -5.7176 -5.7176 -5.6832 -5.6832 -5.6539 -5.6539 -3.5700 -3.5700 -3.5627 -3.5627 -2.3337 -2.3337 -2.1022 -2.1022 -1.9445 -1.9445 -1.8329 -1.8329 -1.6878 -1.6878 -1.6124 -1.6124 -1.4058 -1.4058 -1.1800 -1.1800 -1.1019 -1.1019 -1.0191 -1.0191 -1.0097 -1.0097 -0.8741 -0.8741 -0.8404 -0.8404 -0.6156 -0.6156 -0.5216 -0.5216 -0.4805 -0.4805 -0.4573 -0.4573 -0.3447 -0.3447 -0.3367 -0.3367 -0.2630 -0.2630 -0.2588 -0.2588 -0.2441 -0.2441 5.4701 5.4701 k =-0.4495 0.3388 0.5830 ( 12060 PWs) bands (ev): -13.9458 -13.9458 -13.9194 -13.9194 -13.8556 -13.8556 -13.7273 -13.7273 -12.2767 -12.2767 -12.2737 -12.2737 -12.1509 -12.1509 -12.0964 -12.0964 -6.1223 -6.1223 -6.0915 -6.0915 -6.0452 -6.0452 -6.0277 -6.0277 -5.8070 -5.8070 -5.7758 -5.7758 -5.7201 -5.7201 -5.7178 -5.7178 -5.6835 -5.6835 -5.6536 -5.6536 -3.5628 -3.5628 -3.5594 -3.5594 -2.3266 -2.3266 -2.1017 -2.1017 -1.9412 -1.9412 -1.8364 -1.8364 -1.6903 -1.6903 -1.6222 -1.6222 -1.4111 -1.4111 -1.1670 -1.1670 -1.0949 -1.0949 -1.0101 -1.0101 -0.9991 -0.9991 -0.8808 -0.8808 -0.8145 -0.8145 -0.6314 -0.6314 -0.5416 -0.5416 -0.4901 -0.4901 -0.4701 -0.4701 -0.3453 -0.3453 -0.3373 -0.3373 -0.2664 -0.2664 -0.2635 -0.2635 -0.2501 -0.2501 5.4880 5.4880 k =-0.4624 0.3485 0.5996 ( 12064 PWs) bands (ev): -13.9468 -13.9468 -13.9178 -13.9178 -13.8566 -13.8566 -13.7264 -13.7264 -12.2771 -12.2771 -12.2743 -12.2743 -12.1514 -12.1514 -12.0960 -12.0960 -6.1225 -6.1225 -6.0915 -6.0915 -6.0453 -6.0453 -6.0278 -6.0278 -5.8072 -5.8072 -5.7760 -5.7760 -5.7200 -5.7200 -5.7181 -5.7181 -5.6837 -5.6837 -5.6534 -5.6534 -3.5574 -3.5574 -3.5565 -3.5565 -2.3210 -2.3210 -2.1014 -2.1014 -1.9385 -1.9385 -1.8393 -1.8393 -1.6921 -1.6921 -1.6298 -1.6298 -1.4161 -1.4161 -1.1565 -1.1565 -1.0898 -1.0898 -1.0021 -1.0021 -0.9893 -0.9893 -0.8866 -0.8866 -0.7874 -0.7874 -0.6473 -0.6473 -0.5594 -0.5594 -0.5007 -0.5007 -0.4784 -0.4784 -0.3457 -0.3457 -0.3375 -0.3375 -0.2692 -0.2692 -0.2675 -0.2675 -0.2546 -0.2546 5.5020 5.5020 k =-0.4624 0.3485 0.5996 ( 12064 PWs) bands (ev): -13.9468 -13.9468 -13.9178 -13.9178 -13.8566 -13.8566 -13.7264 -13.7264 -12.2771 -12.2771 -12.2743 -12.2743 -12.1514 -12.1514 -12.0960 -12.0960 -6.1225 -6.1225 -6.0915 -6.0915 -6.0453 -6.0453 -6.0278 -6.0278 -5.8072 -5.8072 -5.7760 -5.7760 -5.7200 -5.7200 -5.7181 -5.7181 -5.6837 -5.6837 -5.6534 -5.6534 -3.5574 -3.5574 -3.5565 -3.5565 -2.3210 -2.3210 -2.1014 -2.1014 -1.9385 -1.9385 -1.8393 -1.8393 -1.6921 -1.6921 -1.6298 -1.6298 -1.4161 -1.4161 -1.1565 -1.1565 -1.0898 -1.0898 -1.0021 -1.0021 -0.9893 -0.9893 -0.8866 -0.8866 -0.7874 -0.7874 -0.6473 -0.6473 -0.5594 -0.5594 -0.5007 -0.5007 -0.4784 -0.4784 -0.3457 -0.3457 -0.3375 -0.3375 -0.2692 -0.2692 -0.2675 -0.2675 -0.2546 -0.2546 5.5020 5.5020 k =-0.4513 0.3401 0.6131 ( 12060 PWs) bands (ev): -13.9468 -13.9468 -13.9177 -13.9177 -13.8566 -13.8566 -13.7264 -13.7264 -12.2771 -12.2771 -12.2742 -12.2742 -12.1514 -12.1514 -12.0961 -12.0961 -6.1225 -6.1225 -6.0916 -6.0916 -6.0453 -6.0453 -6.0278 -6.0278 -5.8071 -5.8071 -5.7760 -5.7760 -5.7200 -5.7200 -5.7180 -5.7180 -5.6837 -5.6837 -5.6534 -5.6534 -3.5577 -3.5577 -3.5564 -3.5564 -2.3222 -2.3222 -2.1018 -2.1018 -1.9397 -1.9397 -1.8382 -1.8382 -1.6934 -1.6934 -1.6303 -1.6303 -1.4154 -1.4154 -1.1577 -1.1577 -1.0898 -1.0898 -1.0047 -1.0047 -0.9873 -0.9873 -0.8852 -0.8852 -0.7872 -0.7872 -0.6473 -0.6473 -0.5595 -0.5595 -0.4997 -0.4997 -0.4771 -0.4771 -0.3477 -0.3477 -0.3348 -0.3348 -0.2690 -0.2690 -0.2672 -0.2672 -0.2540 -0.2540 5.5023 5.5023 k =-0.4402 0.3317 0.6265 ( 12068 PWs) bands (ev): -13.9469 -13.9469 -13.9174 -13.9174 -13.8568 -13.8568 -13.7267 -13.7267 -12.2770 -12.2770 -12.2740 -12.2740 -12.1512 -12.1512 -12.0962 -12.0962 -6.1225 -6.1225 -6.0916 -6.0916 -6.0452 -6.0452 -6.0278 -6.0278 -5.8071 -5.8071 -5.7761 -5.7761 -5.7200 -5.7200 -5.7179 -5.7179 -5.6837 -5.6837 -5.6535 -5.6535 -3.5583 -3.5583 -3.5561 -3.5561 -2.3257 -2.3257 -2.1031 -2.1031 -1.9432 -1.9432 -1.8353 -1.8353 -1.6969 -1.6969 -1.6316 -1.6316 -1.4132 -1.4132 -1.1612 -1.1612 -1.0896 -1.0896 -1.0103 -1.0103 -0.9831 -0.9831 -0.8811 -0.8811 -0.7866 -0.7866 -0.6474 -0.6474 -0.5597 -0.5597 -0.4973 -0.4973 -0.4731 -0.4731 -0.3507 -0.3507 -0.3294 -0.3294 -0.2682 -0.2682 -0.2661 -0.2661 -0.2522 -0.2522 5.5032 5.5032 k =-0.4402 0.3317 0.6265 ( 12068 PWs) bands (ev): -13.9469 -13.9469 -13.9174 -13.9174 -13.8568 -13.8568 -13.7267 -13.7267 -12.2770 -12.2770 -12.2740 -12.2740 -12.1512 -12.1512 -12.0962 -12.0962 -6.1225 -6.1225 -6.0916 -6.0916 -6.0452 -6.0452 -6.0278 -6.0278 -5.8071 -5.8071 -5.7761 -5.7761 -5.7200 -5.7200 -5.7179 -5.7179 -5.6837 -5.6837 -5.6535 -5.6535 -3.5583 -3.5583 -3.5561 -3.5561 -2.3257 -2.3257 -2.1031 -2.1031 -1.9432 -1.9432 -1.8353 -1.8353 -1.6969 -1.6969 -1.6316 -1.6316 -1.4132 -1.4132 -1.1612 -1.1612 -1.0896 -1.0896 -1.0103 -1.0103 -0.9831 -0.9831 -0.8811 -0.8811 -0.7866 -0.7866 -0.6474 -0.6474 -0.5597 -0.5597 -0.4973 -0.4973 -0.4731 -0.4731 -0.3507 -0.3507 -0.3294 -0.3294 -0.2682 -0.2682 -0.2661 -0.2661 -0.2522 -0.2522 5.5032 5.5032 k =-0.4218 0.3179 0.6265 ( 12074 PWs) bands (ev): -13.9464 -13.9464 -13.9180 -13.9180 -13.8563 -13.8563 -13.7277 -13.7277 -12.2765 -12.2765 -12.2733 -12.2733 -12.1507 -12.1507 -12.0966 -12.0966 -6.1223 -6.1223 -6.0917 -6.0917 -6.0451 -6.0451 -6.0277 -6.0277 -5.8069 -5.8069 -5.7760 -5.7760 -5.7201 -5.7201 -5.7177 -5.7177 -5.6834 -5.6834 -5.6537 -5.6537 -3.5614 -3.5614 -3.5589 -3.5589 -2.3337 -2.3337 -2.1051 -2.1051 -1.9494 -1.9494 -1.8308 -1.8308 -1.6989 -1.6989 -1.6283 -1.6283 -1.4084 -1.4084 -1.1718 -1.1718 -1.0931 -1.0931 -1.0214 -1.0214 -0.9852 -0.9852 -0.8719 -0.8719 -0.8037 -0.8037 -0.6367 -0.6367 -0.5495 -0.5495 -0.4887 -0.4887 -0.4601 -0.4601 -0.3522 -0.3522 -0.3250 -0.3250 -0.2646 -0.2646 -0.2618 -0.2618 -0.2468 -0.2468 5.4954 5.4954 k =-0.4035 0.3041 0.6265 ( 12068 PWs) bands (ev): -13.9458 -13.9458 -13.9187 -13.9187 -13.8558 -13.8558 -13.7289 -13.7289 -12.2759 -12.2759 -12.2725 -12.2725 -12.1501 -12.1501 -12.0971 -12.0971 -6.1221 -6.1221 -6.0918 -6.0918 -6.0448 -6.0448 -6.0275 -6.0275 -5.8067 -5.8067 -5.7760 -5.7760 -5.7202 -5.7202 -5.7174 -5.7174 -5.6831 -5.6831 -5.6538 -5.6538 -3.5653 -3.5653 -3.5620 -3.5620 -2.3433 -2.3433 -2.1078 -2.1078 -1.9568 -1.9568 -1.8268 -1.8268 -1.6997 -1.6997 -1.6245 -1.6245 -1.4048 -1.4048 -1.1837 -1.1837 -1.0982 -1.0982 -1.0326 -1.0326 -0.9878 -0.9878 -0.8608 -0.8608 -0.8195 -0.8195 -0.6261 -0.6261 -0.5397 -0.5397 -0.4806 -0.4806 -0.4420 -0.4420 -0.3529 -0.3529 -0.3211 -0.3211 -0.2604 -0.2604 -0.2555 -0.2555 -0.2399 -0.2399 5.4863 5.4863 k =-0.3852 0.2903 0.6265 ( 12073 PWs) bands (ev): -13.9451 -13.9451 -13.9195 -13.9195 -13.8552 -13.8552 -13.7303 -13.7303 -12.2752 -12.2752 -12.2715 -12.2715 -12.1494 -12.1494 -12.0978 -12.0978 -6.1219 -6.1219 -6.0919 -6.0919 -6.0446 -6.0446 -6.0273 -6.0273 -5.8064 -5.8064 -5.7760 -5.7760 -5.7202 -5.7202 -5.7171 -5.7171 -5.6827 -5.6827 -5.6541 -5.6541 -3.5698 -3.5698 -3.5656 -3.5656 -2.3542 -2.3542 -2.1112 -2.1112 -1.9657 -1.9657 -1.8237 -1.8237 -1.6987 -1.6987 -1.6200 -1.6200 -1.4041 -1.4041 -1.1958 -1.1958 -1.1050 -1.1050 -1.0432 -1.0432 -0.9909 -0.9909 -0.8509 -0.8509 -0.8310 -0.8310 -0.6156 -0.6156 -0.5306 -0.5306 -0.4722 -0.4722 -0.4208 -0.4208 -0.3530 -0.3530 -0.3174 -0.3174 -0.2559 -0.2559 -0.2472 -0.2472 -0.2313 -0.2313 5.4760 5.4760 k =-0.3668 0.2764 0.6265 ( 12081 PWs) bands (ev): -13.9444 -13.9444 -13.9203 -13.9203 -13.8546 -13.8546 -13.7320 -13.7320 -12.2744 -12.2744 -12.2704 -12.2704 -12.1485 -12.1485 -12.0985 -12.0985 -6.1216 -6.1216 -6.0920 -6.0920 -6.0442 -6.0442 -6.0272 -6.0272 -5.8061 -5.8061 -5.7760 -5.7760 -5.7202 -5.7202 -5.7168 -5.7168 -5.6823 -5.6823 -5.6545 -5.6545 -3.5748 -3.5748 -3.5696 -3.5696 -2.3658 -2.3658 -2.1154 -2.1154 -1.9761 -1.9761 -1.8213 -1.8213 -1.6956 -1.6956 -1.6146 -1.6146 -1.4076 -1.4076 -1.2073 -1.2073 -1.1133 -1.1133 -1.0524 -1.0524 -0.9945 -0.9945 -0.8549 -0.8549 -0.8255 -0.8255 -0.6051 -0.6051 -0.5221 -0.5221 -0.4631 -0.4631 -0.3984 -0.3984 -0.3524 -0.3524 -0.3136 -0.3136 -0.2508 -0.2508 -0.2373 -0.2373 -0.2212 -0.2212 5.4647 5.4647 k =-0.3485 0.2626 0.6265 ( 12083 PWs) bands (ev): -13.9437 -13.9437 -13.9211 -13.9211 -13.8537 -13.8537 -13.7340 -13.7340 -12.2735 -12.2735 -12.2692 -12.2692 -12.1476 -12.1476 -12.0993 -12.0993 -6.1212 -6.1212 -6.0922 -6.0922 -6.0438 -6.0438 -6.0270 -6.0270 -5.8058 -5.8058 -5.7761 -5.7761 -5.7202 -5.7202 -5.7165 -5.7165 -5.6818 -5.6818 -5.6548 -5.6548 -3.5802 -3.5802 -3.5741 -3.5741 -2.3779 -2.3779 -2.1202 -2.1202 -1.9881 -1.9881 -1.8192 -1.8192 -1.6909 -1.6909 -1.6082 -1.6082 -1.4165 -1.4165 -1.2176 -1.2176 -1.1227 -1.1227 -1.0601 -1.0601 -0.9987 -0.9987 -0.8661 -0.8661 -0.8098 -0.8098 -0.5948 -0.5948 -0.5139 -0.5139 -0.4531 -0.4531 -0.3778 -0.3778 -0.3494 -0.3494 -0.3093 -0.3093 -0.2451 -0.2451 -0.2262 -0.2262 -0.2095 -0.2095 5.4524 5.4524 k =-0.3301 0.2488 0.6265 ( 12084 PWs) bands (ev): -13.9429 -13.9429 -13.9220 -13.9220 -13.8528 -13.8528 -13.7361 -13.7361 -12.2725 -12.2725 -12.2679 -12.2679 -12.1466 -12.1466 -12.1002 -12.1002 -6.1208 -6.1208 -6.0925 -6.0925 -6.0433 -6.0433 -6.0268 -6.0268 -5.8053 -5.8053 -5.7762 -5.7762 -5.7201 -5.7201 -5.7162 -5.7162 -5.6813 -5.6813 -5.6552 -5.6552 -3.5860 -3.5860 -3.5789 -3.5789 -2.3899 -2.3899 -2.1257 -2.1257 -2.0014 -2.0014 -1.8166 -1.8166 -1.6852 -1.6852 -1.6010 -1.6010 -1.4306 -1.4306 -1.2268 -1.2268 -1.1329 -1.1329 -1.0662 -1.0662 -1.0031 -1.0031 -0.8770 -0.8770 -0.7917 -0.7917 -0.5852 -0.5852 -0.5052 -0.5052 -0.4425 -0.4425 -0.3663 -0.3663 -0.3379 -0.3379 -0.3040 -0.3040 -0.2389 -0.2389 -0.2140 -0.2140 -0.1967 -0.1967 5.4393 5.4393 k =-0.3118 0.2350 0.6265 ( 12087 PWs) bands (ev): -13.9421 -13.9421 -13.9229 -13.9229 -13.8517 -13.8517 -13.7385 -13.7385 -12.2714 -12.2714 -12.2665 -12.2665 -12.1455 -12.1455 -12.1012 -12.1012 -6.1203 -6.1203 -6.0928 -6.0928 -6.0428 -6.0428 -6.0266 -6.0266 -5.8048 -5.8048 -5.7764 -5.7764 -5.7200 -5.7200 -5.7158 -5.7158 -5.6807 -5.6807 -5.6556 -5.6556 -3.5920 -3.5920 -3.5842 -3.5842 -2.4017 -2.4017 -2.1322 -2.1322 -2.0156 -2.0156 -1.8130 -1.8130 -1.6791 -1.6791 -1.5931 -1.5931 -1.4492 -1.4492 -1.2358 -1.2358 -1.1436 -1.1436 -1.0709 -1.0709 -1.0074 -1.0074 -0.8867 -0.8867 -0.7725 -0.7725 -0.5768 -0.5768 -0.4954 -0.4954 -0.4315 -0.4315 -0.3644 -0.3644 -0.3180 -0.3180 -0.2976 -0.2976 -0.2320 -0.2320 -0.2009 -0.2009 -0.1830 -0.1830 5.4256 5.4256 k =-0.2935 0.2212 0.6265 ( 12094 PWs) bands (ev): -13.9413 -13.9413 -13.9238 -13.9238 -13.8504 -13.8504 -13.7411 -13.7411 -12.2702 -12.2702 -12.2650 -12.2650 -12.1443 -12.1443 -12.1023 -12.1023 -6.1199 -6.1199 -6.0931 -6.0931 -6.0422 -6.0422 -6.0264 -6.0264 -5.8043 -5.8043 -5.7766 -5.7766 -5.7198 -5.7198 -5.7155 -5.7155 -5.6801 -5.6801 -5.6561 -5.6561 -3.5982 -3.5982 -3.5897 -3.5897 -2.4130 -2.4130 -2.1398 -2.1398 -2.0297 -2.0297 -1.8083 -1.8083 -1.6728 -1.6728 -1.5854 -1.5854 -1.4707 -1.4707 -1.2454 -1.2454 -1.1546 -1.1546 -1.0749 -1.0749 -1.0109 -1.0109 -0.8949 -0.8949 -0.7526 -0.7526 -0.5700 -0.5700 -0.4840 -0.4840 -0.4204 -0.4204 -0.3654 -0.3654 -0.2983 -0.2983 -0.2886 -0.2886 -0.2245 -0.2245 -0.1871 -0.1871 -0.1686 -0.1686 5.4115 5.4115 k =-0.2751 0.2073 0.6265 ( 12101 PWs) bands (ev): -13.9406 -13.9406 -13.9247 -13.9247 -13.8489 -13.8489 -13.7439 -13.7439 -12.2690 -12.2690 -12.2636 -12.2636 -12.1431 -12.1431 -12.1034 -12.1034 -6.1193 -6.1193 -6.0935 -6.0935 -6.0416 -6.0416 -6.0263 -6.0263 -5.8037 -5.8037 -5.7769 -5.7769 -5.7196 -5.7196 -5.7152 -5.7152 -5.6794 -5.6794 -5.6566 -5.6566 -3.6046 -3.6046 -3.5954 -3.5954 -2.4234 -2.4234 -2.1491 -2.1491 -2.0428 -2.0428 -1.8024 -1.8024 -1.6666 -1.6666 -1.5791 -1.5791 -1.4928 -1.4928 -1.2562 -1.2562 -1.1659 -1.1659 -1.0792 -1.0792 -1.0126 -1.0126 -0.9017 -0.9017 -0.7324 -0.7324 -0.5649 -0.5649 -0.4708 -0.4708 -0.4093 -0.4093 -0.3674 -0.3674 -0.2862 -0.2862 -0.2721 -0.2721 -0.2163 -0.2163 -0.1728 -0.1728 -0.1539 -0.1539 5.3970 5.3970 k =-0.2568 0.1935 0.6265 ( 12100 PWs) bands (ev): -13.9399 -13.9399 -13.9257 -13.9257 -13.8473 -13.8473 -13.7469 -13.7469 -12.2677 -12.2677 -12.2621 -12.2621 -12.1418 -12.1418 -12.1046 -12.1046 -6.1187 -6.1187 -6.0940 -6.0940 -6.0409 -6.0409 -6.0262 -6.0262 -5.8030 -5.8030 -5.7772 -5.7772 -5.7194 -5.7194 -5.7149 -5.7149 -5.6787 -5.6787 -5.6571 -5.6571 -3.6109 -3.6109 -3.6013 -3.6013 -2.4328 -2.4328 -2.1607 -2.1607 -2.0537 -2.0537 -1.7955 -1.7955 -1.6609 -1.6609 -1.5775 -1.5775 -1.5113 -1.5113 -1.2682 -1.2682 -1.1774 -1.1774 -1.0847 -1.0847 -1.0119 -1.0119 -0.9072 -0.9072 -0.7124 -0.7124 -0.5615 -0.5615 -0.4561 -0.4561 -0.3984 -0.3984 -0.3696 -0.3696 -0.2774 -0.2774 -0.2532 -0.2532 -0.2073 -0.2073 -0.1580 -0.1580 -0.1391 -0.1391 5.3825 5.3825 k =-0.2384 0.1797 0.6265 ( 12092 PWs) bands (ev): -13.9393 -13.9393 -13.9266 -13.9266 -13.8454 -13.8454 -13.7501 -13.7501 -12.2663 -12.2663 -12.2606 -12.2606 -12.1405 -12.1405 -12.1058 -12.1058 -6.1180 -6.1180 -6.0945 -6.0945 -6.0402 -6.0402 -6.0261 -6.0261 -5.8022 -5.8022 -5.7776 -5.7776 -5.7191 -5.7191 -5.7146 -5.7146 -5.6779 -5.6779 -5.6577 -5.6577 -3.6171 -3.6171 -3.6073 -3.6073 -2.4411 -2.4411 -2.1747 -2.1747 -2.0618 -2.0618 -1.7877 -1.7877 -1.6562 -1.6562 -1.5850 -1.5850 -1.5208 -1.5208 -1.2814 -1.2814 -1.1892 -1.1892 -1.0920 -1.0920 -1.0086 -1.0086 -0.9115 -0.9115 -0.6930 -0.6930 -0.5594 -0.5594 -0.4403 -0.4403 -0.3878 -0.3878 -0.3715 -0.3715 -0.2688 -0.2688 -0.2359 -0.2359 -0.1973 -0.1973 -0.1431 -0.1431 -0.1244 -0.1244 5.3681 5.3681 k =-0.2201 0.1659 0.6265 ( 12094 PWs) bands (ev): -13.9387 -13.9387 -13.9275 -13.9275 -13.8432 -13.8432 -13.7535 -13.7535 -12.2649 -12.2649 -12.2592 -12.2592 -12.1392 -12.1392 -12.1071 -12.1071 -6.1173 -6.1173 -6.0951 -6.0951 -6.0394 -6.0394 -6.0260 -6.0260 -5.8014 -5.8014 -5.7781 -5.7781 -5.7188 -5.7188 -5.7144 -5.7144 -5.6771 -5.6771 -5.6583 -5.6583 -3.6233 -3.6233 -3.6133 -3.6133 -2.4480 -2.4480 -2.1912 -2.1912 -2.0668 -2.0668 -1.7794 -1.7794 -1.6546 -1.6546 -1.5994 -1.5994 -1.5208 -1.5208 -1.2953 -1.2953 -1.2010 -1.2010 -1.1011 -1.1011 -1.0032 -1.0032 -0.9149 -0.9149 -0.6744 -0.6744 -0.5584 -0.5584 -0.4240 -0.4240 -0.3784 -0.3784 -0.3721 -0.3721 -0.2602 -0.2602 -0.2208 -0.2208 -0.1863 -0.1863 -0.1283 -0.1283 -0.1101 -0.1101 5.3540 5.3540 k =-0.2018 0.1520 0.6265 ( 12103 PWs) bands (ev): -13.9381 -13.9381 -13.9283 -13.9283 -13.8409 -13.8409 -13.7570 -13.7570 -12.2636 -12.2636 -12.2578 -12.2578 -12.1378 -12.1378 -12.1084 -12.1084 -6.1165 -6.1165 -6.0958 -6.0958 -6.0386 -6.0386 -6.0261 -6.0261 -5.8006 -5.8006 -5.7786 -5.7786 -5.7185 -5.7185 -5.7142 -5.7142 -5.6763 -5.6763 -5.6589 -5.6589 -3.6292 -3.6292 -3.6193 -3.6193 -2.4535 -2.4535 -2.2095 -2.2095 -2.0686 -2.0686 -1.7710 -1.7710 -1.6609 -1.6609 -1.6101 -1.6101 -1.5168 -1.5168 -1.3097 -1.3097 -1.2125 -1.2125 -1.1114 -1.1114 -0.9963 -0.9963 -0.9173 -0.9173 -0.6571 -0.6571 -0.5581 -0.5581 -0.4079 -0.4079 -0.3759 -0.3759 -0.3649 -0.3649 -0.2518 -0.2518 -0.2080 -0.2080 -0.1747 -0.1747 -0.1137 -0.1137 -0.0962 -0.0962 5.3405 5.3405 k =-0.1834 0.1382 0.6265 ( 12101 PWs) bands (ev): -13.9377 -13.9377 -13.9292 -13.9292 -13.8383 -13.8383 -13.7607 -13.7607 -12.2622 -12.2622 -12.2565 -12.2565 -12.1365 -12.1365 -12.1097 -12.1097 -6.1157 -6.1157 -6.0965 -6.0965 -6.0378 -6.0378 -6.0261 -6.0261 -5.7996 -5.7996 -5.7792 -5.7792 -5.7181 -5.7181 -5.7140 -5.7140 -5.6755 -5.6755 -5.6595 -5.6595 -3.6347 -3.6347 -3.6251 -3.6251 -2.4575 -2.4575 -2.2290 -2.2290 -2.0678 -2.0678 -1.7639 -1.7639 -1.6765 -1.6765 -1.6112 -1.6112 -1.5120 -1.5120 -1.3243 -1.3243 -1.2235 -1.2235 -1.1226 -1.1226 -0.9887 -0.9887 -0.9191 -0.9191 -0.6413 -0.6413 -0.5584 -0.5584 -0.3929 -0.3929 -0.3759 -0.3759 -0.3540 -0.3540 -0.2437 -0.2437 -0.1970 -0.1970 -0.1631 -0.1631 -0.0995 -0.0995 -0.0831 -0.0831 5.3276 5.3276 k =-0.1651 0.1244 0.6265 ( 12103 PWs) bands (ev): -13.9373 -13.9373 -13.9300 -13.9300 -13.8355 -13.8355 -13.7645 -13.7645 -12.2608 -12.2608 -12.2554 -12.2554 -12.1351 -12.1351 -12.1111 -12.1111 -6.1149 -6.1149 -6.0972 -6.0972 -6.0370 -6.0370 -6.0262 -6.0262 -5.7987 -5.7987 -5.7799 -5.7799 -5.7177 -5.7177 -5.7138 -5.7138 -5.6747 -5.6747 -5.6602 -5.6602 -3.6399 -3.6399 -3.6307 -3.6307 -2.4600 -2.4600 -2.2492 -2.2492 -2.0645 -2.0645 -1.7613 -1.7613 -1.6928 -1.6928 -1.6067 -1.6067 -1.5079 -1.5079 -1.3389 -1.3389 -1.2336 -1.2336 -1.1344 -1.1344 -0.9809 -0.9809 -0.9204 -0.9204 -0.6272 -0.6272 -0.5591 -0.5591 -0.3803 -0.3803 -0.3747 -0.3747 -0.3418 -0.3418 -0.2362 -0.2362 -0.1872 -0.1872 -0.1523 -0.1523 -0.0859 -0.0859 -0.0707 -0.0707 5.3158 5.3158 k =-0.1467 0.1106 0.6265 ( 12103 PWs) bands (ev): -13.9369 -13.9369 -13.9307 -13.9307 -13.8324 -13.8324 -13.7684 -13.7684 -12.2595 -12.2595 -12.2543 -12.2543 -12.1338 -12.1338 -12.1124 -12.1124 -6.1140 -6.1140 -6.0980 -6.0980 -6.0361 -6.0361 -6.0264 -6.0264 -5.7977 -5.7977 -5.7807 -5.7807 -5.7173 -5.7173 -5.7137 -5.7137 -5.6738 -5.6738 -5.6608 -5.6608 -3.6447 -3.6447 -3.6360 -3.6360 -2.4608 -2.4608 -2.2696 -2.2696 -2.0591 -2.0591 -1.7687 -1.7687 -1.7003 -1.7003 -1.6000 -1.6000 -1.5052 -1.5052 -1.3533 -1.3533 -1.2422 -1.2422 -1.1464 -1.1464 -0.9731 -0.9731 -0.9212 -0.9212 -0.6150 -0.6150 -0.5601 -0.5601 -0.3747 -0.3747 -0.3680 -0.3680 -0.3284 -0.3284 -0.2296 -0.2296 -0.1782 -0.1782 -0.1425 -0.1425 -0.0732 -0.0732 -0.0594 -0.0594 5.3050 5.3050 k =-0.1284 0.0968 0.6265 ( 12109 PWs) bands (ev): -13.9366 -13.9366 -13.9314 -13.9314 -13.8292 -13.8292 -13.7725 -13.7725 -12.2582 -12.2582 -12.2534 -12.2534 -12.1324 -12.1324 -12.1138 -12.1138 -6.1131 -6.1131 -6.0989 -6.0989 -6.0353 -6.0353 -6.0266 -6.0266 -5.7966 -5.7966 -5.7815 -5.7815 -5.7169 -5.7169 -5.7137 -5.7137 -5.6729 -5.6729 -5.6615 -5.6615 -3.6490 -3.6490 -3.6410 -3.6410 -2.4600 -2.4600 -2.2898 -2.2898 -2.0516 -2.0516 -1.7869 -1.7869 -1.6970 -1.6970 -1.5929 -1.5929 -1.5039 -1.5039 -1.3676 -1.3676 -1.2489 -1.2489 -1.1585 -1.1585 -0.9658 -0.9658 -0.9219 -0.9219 -0.6048 -0.6048 -0.5613 -0.5613 -0.3720 -0.3720 -0.3601 -0.3601 -0.3140 -0.3140 -0.2241 -0.2241 -0.1697 -0.1697 -0.1343 -0.1343 -0.0615 -0.0615 -0.0492 -0.0492 5.2956 5.2956 k =-0.1100 0.0829 0.6265 ( 12108 PWs) bands (ev): -13.9363 -13.9363 -13.9321 -13.9321 -13.8258 -13.8258 -13.7766 -13.7766 -12.2569 -12.2569 -12.2527 -12.2527 -12.1311 -12.1311 -12.1152 -12.1152 -6.1121 -6.1121 -6.0998 -6.0998 -6.0344 -6.0344 -6.0269 -6.0269 -5.7955 -5.7955 -5.7824 -5.7824 -5.7165 -5.7165 -5.7136 -5.7136 -5.6721 -5.6721 -5.6622 -5.6622 -3.6527 -3.6527 -3.6456 -3.6456 -2.4575 -2.4575 -2.3096 -2.3096 -2.0422 -2.0422 -1.8102 -1.8102 -1.6877 -1.6877 -1.5863 -1.5863 -1.5035 -1.5035 -1.3817 -1.3817 -1.2534 -1.2534 -1.1705 -1.1705 -0.9589 -0.9589 -0.9224 -0.9224 -0.5964 -0.5964 -0.5626 -0.5626 -0.3687 -0.3687 -0.3539 -0.3539 -0.2994 -0.2994 -0.2199 -0.2199 -0.1616 -0.1616 -0.1277 -0.1277 -0.0509 -0.0509 -0.0402 -0.0402 5.2877 5.2877 k =-0.0917 0.0691 0.6265 ( 12112 PWs) bands (ev): -13.9361 -13.9361 -13.9327 -13.9327 -13.8221 -13.8221 -13.7808 -13.7808 -12.2558 -12.2558 -12.2521 -12.2521 -12.1298 -12.1298 -12.1165 -12.1165 -6.1111 -6.1111 -6.1008 -6.1008 -6.0336 -6.0336 -6.0272 -6.0272 -5.7944 -5.7944 -5.7833 -5.7833 -5.7161 -5.7161 -5.7137 -5.7137 -5.6712 -5.6712 -5.6630 -5.6630 -3.6558 -3.6558 -3.6497 -3.6497 -2.4533 -2.4533 -2.3287 -2.3287 -2.0311 -2.0311 -1.8350 -1.8350 -1.6759 -1.6759 -1.5815 -1.5815 -1.5031 -1.5031 -1.3958 -1.3958 -1.2554 -1.2554 -1.1823 -1.1823 -0.9526 -0.9526 -0.9230 -0.9230 -0.5897 -0.5897 -0.5639 -0.5639 -0.3649 -0.3649 -0.3495 -0.3495 -0.2852 -0.2852 -0.2173 -0.2173 -0.1538 -0.1538 -0.1229 -0.1229 -0.0416 -0.0416 -0.0325 -0.0325 5.2814 5.2814 k =-0.0734 0.0553 0.6265 ( 12119 PWs) bands (ev): -13.9358 -13.9358 -13.9332 -13.9332 -13.8184 -13.8184 -13.7850 -13.7850 -12.2548 -12.2548 -12.2517 -12.2517 -12.1284 -12.1284 -12.1179 -12.1179 -6.1101 -6.1101 -6.1018 -6.1018 -6.0328 -6.0328 -6.0276 -6.0276 -5.7933 -5.7933 -5.7844 -5.7844 -5.7158 -5.7158 -5.7137 -5.7137 -5.6703 -5.6703 -5.6637 -5.6637 -3.6583 -3.6583 -3.6532 -3.6532 -2.4475 -2.4475 -2.3469 -2.3469 -2.0181 -2.0181 -1.8598 -1.8598 -1.6628 -1.6628 -1.5799 -1.5799 -1.5009 -1.5009 -1.4100 -1.4100 -1.2550 -1.2550 -1.1938 -1.1938 -0.9469 -0.9469 -0.9238 -0.9238 -0.5843 -0.5843 -0.5654 -0.5654 -0.3608 -0.3608 -0.3466 -0.3466 -0.2717 -0.2717 -0.2163 -0.2163 -0.1464 -0.1464 -0.1198 -0.1198 -0.0336 -0.0336 -0.0263 -0.0263 5.2769 5.2769 k =-0.0550 0.0415 0.6265 ( 12117 PWs) bands (ev): -13.9356 -13.9356 -13.9337 -13.9337 -13.8145 -13.8145 -13.7893 -13.7893 -12.2538 -12.2538 -12.2515 -12.2515 -12.1271 -12.1271 -12.1192 -12.1192 -6.1091 -6.1091 -6.1028 -6.1028 -6.0320 -6.0320 -6.0281 -6.0281 -5.7921 -5.7921 -5.7854 -5.7854 -5.7154 -5.7154 -5.7138 -5.7138 -5.6695 -5.6695 -5.6645 -5.6645 -3.6600 -3.6600 -3.6562 -3.6562 -2.4401 -2.4401 -2.3641 -2.3641 -2.0035 -2.0035 -1.8841 -1.8841 -1.6493 -1.6493 -1.5823 -1.5823 -1.4960 -1.4960 -1.4242 -1.4242 -1.2523 -1.2523 -1.2048 -1.2048 -0.9419 -0.9419 -0.9248 -0.9248 -0.5802 -0.5802 -0.5669 -0.5669 -0.3567 -0.3567 -0.3449 -0.3449 -0.2594 -0.2594 -0.2172 -0.2172 -0.1395 -0.1395 -0.1184 -0.1184 -0.0271 -0.0271 -0.0216 -0.0216 5.2743 5.2743 k =-0.0367 0.0276 0.6265 ( 12119 PWs) bands (ev): -13.9354 -13.9354 -13.9341 -13.9341 -13.8104 -13.8104 -13.7936 -13.7936 -12.2530 -12.2530 -12.2514 -12.2514 -12.1258 -12.1258 -12.1205 -12.1205 -6.1080 -6.1080 -6.1038 -6.1038 -6.0312 -6.0312 -6.0286 -6.0286 -5.7910 -5.7910 -5.7865 -5.7865 -5.7150 -5.7150 -5.7140 -5.7140 -5.6686 -5.6686 -5.6653 -5.6653 -3.6611 -3.6611 -3.6586 -3.6586 -2.4311 -2.4311 -2.3802 -2.3802 -1.9873 -1.9873 -1.9073 -1.9073 -1.6356 -1.6356 -1.5886 -1.5886 -1.4880 -1.4880 -1.4384 -1.4384 -1.2477 -1.2477 -1.2152 -1.2152 -0.9376 -0.9376 -0.9263 -0.9263 -0.5769 -0.5769 -0.5685 -0.5685 -0.3529 -0.3529 -0.3445 -0.3445 -0.2483 -0.2483 -0.2199 -0.2199 -0.1332 -0.1332 -0.1186 -0.1186 -0.0221 -0.0221 -0.0184 -0.0184 5.2736 5.2736 k =-0.0183 0.0138 0.6265 ( 12119 PWs) bands (ev): -13.9351 -13.9351 -13.9345 -13.9345 -13.8063 -13.8063 -13.7979 -13.7979 -12.2524 -12.2524 -12.2516 -12.2516 -12.1245 -12.1245 -12.1219 -12.1219 -6.1070 -6.1070 -6.1049 -6.1049 -6.0305 -6.0305 -6.0292 -6.0292 -5.7898 -5.7898 -5.7876 -5.7876 -5.7147 -5.7147 -5.7142 -5.7142 -5.6678 -5.6678 -5.6661 -5.6661 -3.6615 -3.6615 -3.6602 -3.6602 -2.4205 -2.4205 -2.3950 -2.3950 -1.9695 -1.9695 -1.9294 -1.9294 -1.6222 -1.6222 -1.5980 -1.5980 -1.4775 -1.4775 -1.4522 -1.4522 -1.2414 -1.2414 -1.2249 -1.2249 -0.9339 -0.9339 -0.9283 -0.9283 -0.5742 -0.5742 -0.5702 -0.5702 -0.3496 -0.3496 -0.3452 -0.3452 -0.2387 -0.2387 -0.2244 -0.2244 -0.1278 -0.1278 -0.1203 -0.1203 -0.0187 -0.0187 -0.0169 -0.0169 5.2749 5.2749 k = 0.0000 0.0000 0.6265 ( 12114 PWs) bands (ev): -13.9348 -13.9348 -13.9348 -13.9348 -13.8021 -13.8021 -13.8021 -13.8021 -12.2519 -12.2519 -12.2519 -12.2519 -12.1232 -12.1232 -12.1232 -12.1232 -6.1059 -6.1059 -6.1059 -6.1059 -6.0298 -6.0298 -6.0298 -6.0298 -5.7887 -5.7887 -5.7887 -5.7887 -5.7144 -5.7144 -5.7144 -5.7144 -5.6669 -5.6669 -5.6669 -5.6669 -3.6612 -3.6612 -3.6612 -3.6612 -2.4085 -2.4085 -2.4084 -2.4084 -1.9501 -1.9501 -1.9501 -1.9501 -1.6095 -1.6095 -1.6094 -1.6094 -1.4654 -1.4654 -1.4654 -1.4654 -1.2337 -1.2337 -1.2337 -1.2337 -0.9308 -0.9308 -0.9308 -0.9308 -0.5721 -0.5721 -0.5720 -0.5720 -0.3470 -0.3470 -0.3469 -0.3469 -0.2308 -0.2308 -0.2307 -0.2307 -0.1236 -0.1236 -0.1234 -0.1234 -0.0171 -0.0171 -0.0169 -0.0169 5.2781 5.2781 k = 0.0000 0.0000 0.6265 ( 12114 PWs) bands (ev): -13.9348 -13.9348 -13.9348 -13.9348 -13.8021 -13.8021 -13.8021 -13.8021 -12.2519 -12.2519 -12.2519 -12.2519 -12.1232 -12.1232 -12.1232 -12.1232 -6.1059 -6.1059 -6.1059 -6.1059 -6.0298 -6.0298 -6.0298 -6.0298 -5.7887 -5.7887 -5.7887 -5.7887 -5.7144 -5.7144 -5.7144 -5.7144 -5.6669 -5.6669 -5.6669 -5.6669 -3.6612 -3.6612 -3.6612 -3.6612 -2.4085 -2.4085 -2.4084 -2.4084 -1.9501 -1.9501 -1.9501 -1.9501 -1.6095 -1.6095 -1.6094 -1.6094 -1.4654 -1.4654 -1.4654 -1.4654 -1.2337 -1.2337 -1.2337 -1.2337 -0.9308 -0.9308 -0.9308 -0.9308 -0.5721 -0.5721 -0.5720 -0.5720 -0.3470 -0.3470 -0.3469 -0.3469 -0.2308 -0.2308 -0.2307 -0.2307 -0.1236 -0.1236 -0.1234 -0.1234 -0.0171 -0.0171 -0.0169 -0.0169 5.2781 5.2781 k = 0.0139 0.0184 0.6265 ( 12120 PWs) bands (ev): -13.9348 -13.9348 -13.9347 -13.9347 -13.8022 -13.8022 -13.8021 -13.8021 -12.2519 -12.2519 -12.2519 -12.2519 -12.1232 -12.1232 -12.1232 -12.1232 -6.1063 -6.1063 -6.1055 -6.1055 -6.0302 -6.0302 -6.0294 -6.0294 -5.7893 -5.7893 -5.7881 -5.7881 -5.7148 -5.7148 -5.7141 -5.7141 -5.6669 -5.6669 -5.6669 -5.6669 -3.6617 -3.6617 -3.6606 -3.6606 -2.4078 -2.4078 -2.4077 -2.4077 -1.9511 -1.9511 -1.9485 -1.9485 -1.6107 -1.6107 -1.6104 -1.6104 -1.4705 -1.4705 -1.4617 -1.4617 -1.2409 -1.2409 -1.2295 -1.2295 -0.9307 -0.9307 -0.9278 -0.9278 -0.5734 -0.5734 -0.5687 -0.5687 -0.3474 -0.3474 -0.3458 -0.3458 -0.2315 -0.2315 -0.2303 -0.2303 -0.1240 -0.1240 -0.1234 -0.1234 -0.0182 -0.0182 -0.0167 -0.0167 5.2783 5.2790 k = 0.0278 0.0369 0.6265 ( 12114 PWs) bands (ev): -13.9346 -13.9346 -13.9345 -13.9345 -13.8024 -13.8024 -13.8023 -13.8023 -12.2519 -12.2519 -12.2519 -12.2519 -12.1232 -12.1232 -12.1231 -12.1231 -6.1067 -6.1067 -6.1051 -6.1051 -6.0306 -6.0306 -6.0290 -6.0290 -5.7900 -5.7900 -5.7875 -5.7875 -5.7151 -5.7151 -5.7137 -5.7137 -5.6669 -5.6669 -5.6669 -5.6669 -3.6620 -3.6620 -3.6598 -3.6598 -2.4057 -2.4057 -2.4056 -2.4056 -1.9515 -1.9515 -1.9463 -1.9463 -1.6140 -1.6140 -1.6134 -1.6134 -1.4769 -1.4769 -1.4597 -1.4597 -1.2506 -1.2506 -1.2286 -1.2286 -0.9273 -0.9273 -0.9222 -0.9222 -0.5728 -0.5728 -0.5634 -0.5634 -0.3473 -0.3473 -0.3440 -0.3440 -0.2325 -0.2325 -0.2301 -0.2301 -0.1250 -0.1250 -0.1239 -0.1239 -0.0203 -0.0203 -0.0173 -0.0173 5.2799 5.2801 k = 0.0417 0.0553 0.6265 ( 12124 PWs) bands (ev): -13.9343 -13.9343 -13.9342 -13.9342 -13.8027 -13.8027 -13.8027 -13.8027 -12.2519 -12.2519 -12.2519 -12.2519 -12.1232 -12.1232 -12.1231 -12.1231 -6.1072 -6.1072 -6.1048 -6.1048 -6.0310 -6.0310 -6.0285 -6.0285 -5.7906 -5.7906 -5.7869 -5.7869 -5.7154 -5.7154 -5.7133 -5.7133 -5.6670 -5.6670 -5.6669 -5.6669 -3.6621 -3.6621 -3.6588 -3.6588 -2.4022 -2.4022 -2.4021 -2.4021 -1.9514 -1.9514 -1.9435 -1.9435 -1.6194 -1.6194 -1.6185 -1.6185 -1.4842 -1.4842 -1.4596 -1.4596 -1.2621 -1.2621 -1.2309 -1.2309 -0.9209 -0.9209 -0.9142 -0.9142 -0.5704 -0.5704 -0.5565 -0.5565 -0.3464 -0.3464 -0.3414 -0.3414 -0.2339 -0.2339 -0.2303 -0.2303 -0.1265 -0.1265 -0.1249 -0.1249 -0.0232 -0.0232 -0.0188 -0.0188 5.2829 5.2830 k = 0.0556 0.0737 0.6265 ( 12118 PWs) bands (ev): -13.9339 -13.9339 -13.9339 -13.9339 -13.8032 -13.8032 -13.8031 -13.8031 -12.2519 -12.2519 -12.2519 -12.2519 -12.1231 -12.1231 -12.1231 -12.1231 -6.1076 -6.1076 -6.1045 -6.1045 -6.0313 -6.0313 -6.0281 -6.0281 -5.7912 -5.7912 -5.7863 -5.7863 -5.7157 -5.7157 -5.7129 -5.7129 -5.6670 -5.6670 -5.6669 -5.6669 -3.6621 -3.6621 -3.6577 -3.6577 -2.3974 -2.3974 -2.3973 -2.3973 -1.9507 -1.9507 -1.9400 -1.9400 -1.6267 -1.6267 -1.6256 -1.6256 -1.4923 -1.4923 -1.4614 -1.4614 -1.2747 -1.2747 -1.2363 -1.2363 -0.9115 -0.9115 -0.9044 -0.9044 -0.5666 -0.5666 -0.5482 -0.5482 -0.3447 -0.3447 -0.3381 -0.3381 -0.2356 -0.2356 -0.2307 -0.2307 -0.1284 -0.1284 -0.1262 -0.1262 -0.0271 -0.0271 -0.0211 -0.0211 5.2871 5.2908 k = 0.0694 0.0921 0.6265 ( 12118 PWs) bands (ev): -13.9334 -13.9334 -13.9334 -13.9334 -13.8037 -13.8037 -13.8036 -13.8036 -12.2519 -12.2519 -12.2518 -12.2518 -12.1231 -12.1231 -12.1231 -12.1231 -6.1081 -6.1081 -6.1042 -6.1042 -6.0316 -6.0316 -6.0277 -6.0277 -5.7918 -5.7918 -5.7858 -5.7858 -5.7159 -5.7159 -5.7125 -5.7125 -5.6670 -5.6670 -5.6670 -5.6670 -3.6619 -3.6619 -3.6565 -3.6565 -2.3914 -2.3914 -2.3912 -2.3912 -1.9497 -1.9497 -1.9360 -1.9360 -1.6358 -1.6358 -1.6345 -1.6345 -1.5008 -1.5008 -1.4653 -1.4653 -1.2877 -1.2877 -1.2441 -1.2441 -0.8998 -0.8998 -0.8931 -0.8931 -0.5616 -0.5616 -0.5389 -0.5389 -0.3421 -0.3421 -0.3339 -0.3339 -0.2375 -0.2375 -0.2314 -0.2314 -0.1308 -0.1308 -0.1279 -0.1279 -0.0318 -0.0318 -0.0243 -0.0243 5.2923 5.2923 k = 0.0833 0.1106 0.6265 ( 12110 PWs) bands (ev): -13.9329 -13.9329 -13.9328 -13.9328 -13.8043 -13.8043 -13.8043 -13.8043 -12.2518 -12.2518 -12.2518 -12.2518 -12.1231 -12.1231 -12.1230 -12.1230 -6.1085 -6.1085 -6.1039 -6.1039 -6.0319 -6.0319 -6.0272 -6.0272 -5.7924 -5.7924 -5.7853 -5.7853 -5.7161 -5.7161 -5.7121 -5.7121 -5.6670 -5.6670 -5.6669 -5.6669 -3.6616 -3.6616 -3.6552 -3.6552 -2.3843 -2.3843 -2.3840 -2.3840 -1.9483 -1.9483 -1.9315 -1.9315 -1.6464 -1.6464 -1.6450 -1.6450 -1.5095 -1.5095 -1.4712 -1.4712 -1.3004 -1.3004 -1.2539 -1.2539 -0.8864 -0.8864 -0.8808 -0.8808 -0.5560 -0.5560 -0.5292 -0.5292 -0.3385 -0.3385 -0.3289 -0.3289 -0.2397 -0.2397 -0.2323 -0.2323 -0.1336 -0.1336 -0.1299 -0.1299 -0.0374 -0.0374 -0.0283 -0.0283 5.2984 5.2984 k = 0.0972 0.1290 0.6265 ( 12122 PWs) bands (ev): -13.9322 -13.9322 -13.9322 -13.9322 -13.8050 -13.8050 -13.8050 -13.8050 -12.2518 -12.2518 -12.2518 -12.2518 -12.1230 -12.1230 -12.1230 -12.1230 -6.1089 -6.1089 -6.1037 -6.1037 -6.0322 -6.0322 -6.0268 -6.0268 -5.7930 -5.7930 -5.7848 -5.7848 -5.7163 -5.7163 -5.7117 -5.7117 -5.6671 -5.6671 -5.6670 -5.6670 -3.6612 -3.6612 -3.6538 -3.6538 -2.3761 -2.3761 -2.3758 -2.3758 -1.9466 -1.9466 -1.9265 -1.9265 -1.6585 -1.6585 -1.6570 -1.6570 -1.5181 -1.5181 -1.4790 -1.4790 -1.3123 -1.3123 -1.2649 -1.2649 -0.8716 -0.8716 -0.8677 -0.8677 -0.5500 -0.5500 -0.5195 -0.5195 -0.3337 -0.3337 -0.3231 -0.3231 -0.2420 -0.2420 -0.2334 -0.2334 -0.1366 -0.1366 -0.1321 -0.1321 -0.0438 -0.0438 -0.0331 -0.0331 5.3053 5.3053 k = 0.1111 0.1474 0.6265 ( 12120 PWs) bands (ev): -13.9316 -13.9316 -13.9315 -13.9315 -13.8058 -13.8058 -13.8057 -13.8057 -12.2518 -12.2518 -12.2518 -12.2518 -12.1230 -12.1230 -12.1229 -12.1229 -6.1093 -6.1093 -6.1034 -6.1034 -6.0324 -6.0324 -6.0264 -6.0264 -5.7935 -5.7935 -5.7843 -5.7843 -5.7165 -5.7165 -5.7114 -5.7114 -5.6671 -5.6671 -5.6670 -5.6670 -3.6607 -3.6607 -3.6524 -3.6524 -2.3671 -2.3671 -2.3666 -2.3666 -1.9448 -1.9448 -1.9212 -1.9212 -1.6716 -1.6716 -1.6702 -1.6702 -1.5263 -1.5263 -1.4885 -1.4885 -1.3232 -1.3232 -1.2767 -1.2767 -0.8562 -0.8562 -0.8541 -0.8541 -0.5439 -0.5439 -0.5103 -0.5103 -0.3276 -0.3276 -0.3164 -0.3164 -0.2444 -0.2444 -0.2347 -0.2347 -0.1399 -0.1399 -0.1344 -0.1344 -0.0510 -0.0510 -0.0386 -0.0386 5.3126 5.3126 k = 0.1250 0.1659 0.6265 ( 12124 PWs) bands (ev): -13.9308 -13.9308 -13.9308 -13.9308 -13.8066 -13.8066 -13.8065 -13.8065 -12.2518 -12.2518 -12.2517 -12.2517 -12.1230 -12.1230 -12.1229 -12.1229 -6.1098 -6.1098 -6.1032 -6.1032 -6.0326 -6.0326 -6.0260 -6.0260 -5.7941 -5.7941 -5.7839 -5.7839 -5.7166 -5.7166 -5.7110 -5.7110 -5.6671 -5.6671 -5.6670 -5.6670 -3.6601 -3.6601 -3.6509 -3.6509 -2.3575 -2.3575 -2.3568 -2.3568 -1.9429 -1.9429 -1.9156 -1.9156 -1.6855 -1.6855 -1.6842 -1.6842 -1.5340 -1.5340 -1.4993 -1.4993 -1.3328 -1.3328 -1.2887 -1.2887 -0.8405 -0.8405 -0.8405 -0.8405 -0.5382 -0.5382 -0.5019 -0.5019 -0.3201 -0.3201 -0.3093 -0.3093 -0.2467 -0.2467 -0.2361 -0.2361 -0.1433 -0.1433 -0.1366 -0.1366 -0.0588 -0.0588 -0.0448 -0.0448 5.3202 5.3202 k = 0.1389 0.1843 0.6265 ( 12130 PWs) bands (ev): -13.9301 -13.9301 -13.9301 -13.9301 -13.8074 -13.8074 -13.8073 -13.8073 -12.2517 -12.2517 -12.2517 -12.2517 -12.1229 -12.1229 -12.1229 -12.1229 -6.1101 -6.1101 -6.1031 -6.1031 -6.0328 -6.0328 -6.0257 -6.0257 -5.7945 -5.7945 -5.7836 -5.7836 -5.7167 -5.7167 -5.7107 -5.7107 -5.6671 -5.6671 -5.6670 -5.6670 -3.6595 -3.6595 -3.6495 -3.6495 -2.3474 -2.3474 -2.3466 -2.3466 -1.9411 -1.9411 -1.9099 -1.9099 -1.6998 -1.6998 -1.6987 -1.6987 -1.5410 -1.5410 -1.5109 -1.5109 -1.3411 -1.3411 -1.3006 -1.3006 -0.8272 -0.8272 -0.8251 -0.8251 -0.5330 -0.5330 -0.4947 -0.4947 -0.3114 -0.3114 -0.3019 -0.3019 -0.2487 -0.2487 -0.2376 -0.2376 -0.1468 -0.1468 -0.1387 -0.1387 -0.0673 -0.0673 -0.0517 -0.0517 5.3278 5.3279 k = 0.1528 0.2027 0.6265 ( 12120 PWs) bands (ev): -13.9294 -13.9294 -13.9294 -13.9294 -13.8082 -13.8082 -13.8081 -13.8081 -12.2517 -12.2517 -12.2517 -12.2517 -12.1229 -12.1229 -12.1228 -12.1228 -6.1105 -6.1105 -6.1029 -6.1029 -6.0330 -6.0330 -6.0254 -6.0254 -5.7950 -5.7950 -5.7832 -5.7832 -5.7168 -5.7168 -5.7103 -5.7103 -5.6671 -5.6671 -5.6670 -5.6670 -3.6589 -3.6589 -3.6482 -3.6482 -2.3372 -2.3372 -2.3362 -2.3362 -1.9394 -1.9394 -1.9044 -1.9044 -1.7141 -1.7141 -1.7132 -1.7132 -1.5471 -1.5471 -1.5228 -1.5228 -1.3482 -1.3482 -1.3119 -1.3119 -0.8143 -0.8143 -0.8102 -0.8102 -0.5283 -0.5283 -0.4887 -0.4887 -0.3016 -0.3016 -0.2949 -0.2949 -0.2499 -0.2499 -0.2391 -0.2391 -0.1501 -0.1501 -0.1404 -0.1404 -0.0764 -0.0764 -0.0590 -0.0590 5.3352 5.3352 k = 0.1667 0.2212 0.6265 ( 12134 PWs) bands (ev): -13.9287 -13.9287 -13.9287 -13.9287 -13.8089 -13.8089 -13.8088 -13.8088 -12.2517 -12.2517 -12.2517 -12.2517 -12.1229 -12.1229 -12.1228 -12.1228 -6.1108 -6.1108 -6.1028 -6.1028 -6.0331 -6.0331 -6.0251 -6.0251 -5.7953 -5.7953 -5.7830 -5.7830 -5.7169 -5.7169 -5.7101 -5.7101 -5.6672 -5.6672 -5.6671 -5.6671 -3.6583 -3.6583 -3.6470 -3.6470 -2.3271 -2.3271 -2.3260 -2.3260 -1.9378 -1.9378 -1.8990 -1.8990 -1.7279 -1.7279 -1.7274 -1.7274 -1.5523 -1.5523 -1.5344 -1.5344 -1.3542 -1.3542 -1.3225 -1.3225 -0.8024 -0.8024 -0.7964 -0.7964 -0.5243 -0.5243 -0.4839 -0.4839 -0.2910 -0.2910 -0.2891 -0.2891 -0.2498 -0.2498 -0.2405 -0.2405 -0.1533 -0.1533 -0.1417 -0.1417 -0.0858 -0.0858 -0.0667 -0.0667 5.3422 5.3422 k = 0.1806 0.2396 0.6265 ( 12136 PWs) bands (ev): -13.9281 -13.9281 -13.9281 -13.9281 -13.8096 -13.8096 -13.8095 -13.8095 -12.2517 -12.2517 -12.2516 -12.2516 -12.1228 -12.1228 -12.1227 -12.1227 -6.1111 -6.1111 -6.1027 -6.1027 -6.0332 -6.0332 -6.0248 -6.0248 -5.7957 -5.7957 -5.7827 -5.7827 -5.7170 -5.7170 -5.7098 -5.7098 -5.6672 -5.6672 -5.6671 -5.6671 -3.6577 -3.6577 -3.6459 -3.6459 -2.3176 -2.3176 -2.3163 -2.3163 -1.9365 -1.9365 -1.8941 -1.8941 -1.7407 -1.7407 -1.7405 -1.7405 -1.5566 -1.5566 -1.5452 -1.5452 -1.3591 -1.3591 -1.3319 -1.3319 -0.7917 -0.7917 -0.7840 -0.7840 -0.5210 -0.5210 -0.4803 -0.4803 -0.2853 -0.2853 -0.2801 -0.2801 -0.2477 -0.2477 -0.2417 -0.2417 -0.1562 -0.1562 -0.1424 -0.1424 -0.0954 -0.0954 -0.0747 -0.0747 5.3485 5.3485 k = 0.1944 0.2580 0.6265 ( 12134 PWs) bands (ev): -13.9276 -13.9276 -13.9275 -13.9275 -13.8102 -13.8102 -13.8101 -13.8101 -12.2517 -12.2517 -12.2516 -12.2516 -12.1228 -12.1228 -12.1227 -12.1227 -6.1113 -6.1113 -6.1026 -6.1026 -6.0333 -6.0333 -6.0246 -6.0246 -5.7959 -5.7959 -5.7825 -5.7825 -5.7171 -5.7171 -5.7096 -5.7096 -5.6672 -5.6672 -5.6671 -5.6671 -3.6573 -3.6573 -3.6449 -3.6449 -2.3090 -2.3090 -2.3075 -2.3075 -1.9355 -1.9355 -1.8899 -1.8899 -1.7522 -1.7522 -1.7520 -1.7520 -1.5600 -1.5600 -1.5547 -1.5547 -1.3630 -1.3630 -1.3400 -1.3400 -0.7824 -0.7824 -0.7732 -0.7732 -0.5183 -0.5183 -0.4777 -0.4777 -0.2835 -0.2835 -0.2697 -0.2697 -0.2440 -0.2440 -0.2424 -0.2424 -0.1586 -0.1586 -0.1424 -0.1424 -0.1048 -0.1048 -0.0826 -0.0826 5.3539 5.3539 k = 0.2083 0.2764 0.6265 ( 12124 PWs) bands (ev): -13.9271 -13.9271 -13.9271 -13.9271 -13.8107 -13.8107 -13.8106 -13.8106 -12.2516 -12.2516 -12.2516 -12.2516 -12.1228 -12.1228 -12.1227 -12.1227 -6.1115 -6.1115 -6.1025 -6.1025 -6.0334 -6.0334 -6.0244 -6.0244 -5.7961 -5.7961 -5.7824 -5.7824 -5.7171 -5.7171 -5.7094 -5.7094 -5.6672 -5.6672 -5.6671 -5.6671 -3.6569 -3.6569 -3.6442 -3.6442 -2.3018 -2.3018 -2.3001 -2.3001 -1.9347 -1.9347 -1.8864 -1.8864 -1.7620 -1.7620 -1.7614 -1.7614 -1.5626 -1.5626 -1.5625 -1.5625 -1.3661 -1.3661 -1.3466 -1.3466 -0.7749 -0.7749 -0.7645 -0.7645 -0.5163 -0.5163 -0.4759 -0.4759 -0.2832 -0.2832 -0.2609 -0.2609 -0.2421 -0.2421 -0.2395 -0.2395 -0.1605 -0.1605 -0.1416 -0.1416 -0.1136 -0.1136 -0.0902 -0.0902 5.3583 5.3583 k = 0.2222 0.2949 0.6265 ( 12134 PWs) bands (ev): -13.9268 -13.9268 -13.9268 -13.9268 -13.8110 -13.8110 -13.8109 -13.8109 -12.2516 -12.2516 -12.2516 -12.2516 -12.1228 -12.1228 -12.1227 -12.1227 -6.1116 -6.1116 -6.1025 -6.1025 -6.0335 -6.0335 -6.0243 -6.0243 -5.7963 -5.7963 -5.7823 -5.7823 -5.7171 -5.7171 -5.7093 -5.7093 -5.6673 -5.6673 -5.6671 -5.6671 -3.6566 -3.6566 -3.6436 -3.6436 -2.2963 -2.2963 -2.2945 -2.2945 -1.9342 -1.9342 -1.8840 -1.8840 -1.7693 -1.7693 -1.7683 -1.7683 -1.5685 -1.5685 -1.5642 -1.5642 -1.3682 -1.3682 -1.3515 -1.3515 -0.7693 -0.7693 -0.7581 -0.7581 -0.5148 -0.5148 -0.4748 -0.4748 -0.2835 -0.2835 -0.2553 -0.2553 -0.2401 -0.2401 -0.2355 -0.2355 -0.1618 -0.1618 -0.1402 -0.1402 -0.1211 -0.1211 -0.0968 -0.0968 5.3615 5.3615 k = 0.2361 0.3133 0.6265 ( 12140 PWs) bands (ev): -13.9266 -13.9266 -13.9266 -13.9266 -13.8112 -13.8112 -13.8112 -13.8112 -12.2516 -12.2516 -12.2516 -12.2516 -12.1228 -12.1228 -12.1227 -12.1227 -6.1117 -6.1117 -6.1025 -6.1025 -6.0335 -6.0335 -6.0243 -6.0243 -5.7964 -5.7964 -5.7822 -5.7822 -5.7172 -5.7172 -5.7093 -5.7093 -5.6673 -5.6673 -5.6671 -5.6671 -3.6564 -3.6564 -3.6433 -3.6433 -2.2928 -2.2928 -2.2909 -2.2909 -1.9339 -1.9339 -1.8825 -1.8825 -1.7739 -1.7739 -1.7726 -1.7726 -1.5721 -1.5721 -1.5652 -1.5652 -1.3695 -1.3695 -1.3544 -1.3544 -0.7660 -0.7660 -0.7542 -0.7542 -0.5140 -0.5140 -0.4741 -0.4741 -0.2839 -0.2839 -0.2529 -0.2529 -0.2371 -0.2371 -0.2327 -0.2327 -0.1626 -0.1626 -0.1387 -0.1387 -0.1264 -0.1264 -0.1015 -0.1015 5.3635 5.3635 k = 0.2500 0.3317 0.6265 ( 12124 PWs) bands (ev): -13.9265 -13.9265 -13.9265 -13.9265 -13.8113 -13.8113 -13.8112 -13.8112 -12.2516 -12.2516 -12.2516 -12.2516 -12.1227 -12.1227 -12.1227 -12.1227 -6.1117 -6.1117 -6.1025 -6.1025 -6.0335 -6.0335 -6.0242 -6.0242 -5.7964 -5.7964 -5.7821 -5.7821 -5.7172 -5.7172 -5.7092 -5.7092 -5.6672 -5.6672 -5.6671 -5.6671 -3.6563 -3.6563 -3.6431 -3.6431 -2.2916 -2.2916 -2.2897 -2.2897 -1.9338 -1.9338 -1.8820 -1.8820 -1.7754 -1.7754 -1.7740 -1.7740 -1.5734 -1.5734 -1.5655 -1.5655 -1.3699 -1.3699 -1.3554 -1.3554 -0.7648 -0.7648 -0.7528 -0.7528 -0.5137 -0.5137 -0.4739 -0.4739 -0.2841 -0.2841 -0.2524 -0.2524 -0.2358 -0.2358 -0.2318 -0.2318 -0.1628 -0.1628 -0.1380 -0.1380 -0.1282 -0.1282 -0.1033 -0.1033 5.3641 5.3641 k = 0.2500 0.3317 0.6265 ( 12124 PWs) bands (ev): -13.9265 -13.9265 -13.9265 -13.9265 -13.8113 -13.8113 -13.8112 -13.8112 -12.2516 -12.2516 -12.2516 -12.2516 -12.1227 -12.1227 -12.1227 -12.1227 -6.1117 -6.1117 -6.1025 -6.1025 -6.0335 -6.0335 -6.0242 -6.0242 -5.7964 -5.7964 -5.7821 -5.7821 -5.7172 -5.7172 -5.7092 -5.7092 -5.6672 -5.6672 -5.6671 -5.6671 -3.6563 -3.6563 -3.6431 -3.6431 -2.2916 -2.2916 -2.2897 -2.2897 -1.9338 -1.9338 -1.8820 -1.8820 -1.7754 -1.7754 -1.7740 -1.7740 -1.5734 -1.5734 -1.5655 -1.5655 -1.3699 -1.3699 -1.3554 -1.3554 -0.7648 -0.7648 -0.7528 -0.7528 -0.5137 -0.5137 -0.4739 -0.4739 -0.2841 -0.2841 -0.2524 -0.2524 -0.2358 -0.2358 -0.2318 -0.2318 -0.1628 -0.1628 -0.1380 -0.1380 -0.1282 -0.1282 -0.1033 -0.1033 5.3641 5.3641 k = 0.2368 0.3416 0.6106 ( 12122 PWs) bands (ev): -13.9269 -13.9269 -13.9264 -13.9264 -13.8123 -13.8123 -13.8099 -13.8099 -12.2517 -12.2517 -12.2515 -12.2515 -12.1236 -12.1236 -12.1218 -12.1218 -6.1117 -6.1117 -6.1024 -6.1024 -6.0335 -6.0335 -6.0242 -6.0242 -5.7964 -5.7964 -5.7821 -5.7821 -5.7172 -5.7172 -5.7092 -5.7092 -5.6676 -5.6676 -5.6667 -5.6667 -3.6569 -3.6569 -3.6437 -3.6437 -2.2956 -2.2956 -2.2851 -2.2851 -1.9388 -1.9388 -1.8794 -1.8794 -1.7839 -1.7839 -1.7638 -1.7638 -1.5734 -1.5734 -1.5624 -1.5624 -1.3706 -1.3706 -1.3540 -1.3540 -0.7741 -0.7741 -0.7454 -0.7454 -0.5174 -0.5174 -0.4698 -0.4698 -0.2847 -0.2847 -0.2528 -0.2528 -0.2397 -0.2397 -0.2289 -0.2289 -0.1640 -0.1640 -0.1378 -0.1378 -0.1294 -0.1294 -0.0995 -0.0995 5.3607 5.3607 k = 0.2237 0.3516 0.5947 ( 12122 PWs) bands (ev): -13.9276 -13.9276 -13.9266 -13.9266 -13.8130 -13.8130 -13.8083 -13.8083 -12.2519 -12.2519 -12.2514 -12.2514 -12.1244 -12.1244 -12.1210 -12.1210 -6.1116 -6.1116 -6.1023 -6.1023 -6.0336 -6.0336 -6.0242 -6.0242 -5.7963 -5.7963 -5.7821 -5.7821 -5.7174 -5.7174 -5.7091 -5.7091 -5.6680 -5.6680 -5.6664 -5.6664 -3.6586 -3.6586 -3.6455 -3.6455 -2.2997 -2.2997 -2.2790 -2.2790 -1.9511 -1.9511 -1.8738 -1.8738 -1.7915 -1.7915 -1.7517 -1.7517 -1.5714 -1.5714 -1.5549 -1.5549 -1.3719 -1.3719 -1.3502 -1.3502 -0.7892 -0.7892 -0.7360 -0.7360 -0.5259 -0.5259 -0.4603 -0.4603 -0.2866 -0.2866 -0.2541 -0.2541 -0.2456 -0.2456 -0.2259 -0.2259 -0.1664 -0.1664 -0.1420 -0.1420 -0.1262 -0.1262 -0.0908 -0.0908 5.3517 5.3517 k = 0.2105 0.3615 0.5787 ( 12110 PWs) bands (ev): -13.9285 -13.9285 -13.9271 -13.9271 -13.8134 -13.8134 -13.8064 -13.8064 -12.2520 -12.2520 -12.2513 -12.2513 -12.1253 -12.1253 -12.1201 -12.1201 -6.1116 -6.1116 -6.1021 -6.1021 -6.0337 -6.0337 -6.0242 -6.0242 -5.7961 -5.7961 -5.7820 -5.7820 -5.7177 -5.7177 -5.7089 -5.7089 -5.6683 -5.6683 -5.6659 -5.6659 -3.6613 -3.6613 -3.6483 -3.6483 -2.3032 -2.3032 -2.2723 -2.2723 -1.9671 -1.9671 -1.8680 -1.8680 -1.7976 -1.7976 -1.7391 -1.7391 -1.5661 -1.5661 -1.5444 -1.5444 -1.3731 -1.3731 -1.3447 -1.3447 -0.8064 -0.8064 -0.7281 -0.7281 -0.5359 -0.5359 -0.4485 -0.4485 -0.2902 -0.2902 -0.2577 -0.2577 -0.2501 -0.2501 -0.2245 -0.2245 -0.1683 -0.1683 -0.1485 -0.1485 -0.1193 -0.1193 -0.0805 -0.0805 5.3386 5.3386 k = 0.1974 0.3714 0.5628 ( 12114 PWs) bands (ev): -13.9297 -13.9297 -13.9278 -13.9278 -13.8135 -13.8135 -13.8043 -13.8043 -12.2522 -12.2522 -12.2513 -12.2513 -12.1261 -12.1261 -12.1193 -12.1193 -6.1115 -6.1115 -6.1019 -6.1019 -6.0338 -6.0338 -6.0243 -6.0243 -5.7960 -5.7960 -5.7820 -5.7820 -5.7181 -5.7181 -5.7088 -5.7088 -5.6687 -5.6687 -5.6656 -5.6656 -3.6651 -3.6651 -3.6522 -3.6522 -2.3060 -2.3060 -2.2652 -2.2652 -1.9846 -1.9846 -1.8630 -1.8630 -1.8029 -1.8029 -1.7269 -1.7269 -1.5575 -1.5575 -1.5308 -1.5308 -1.3740 -1.3740 -1.3379 -1.3379 -0.8253 -0.8253 -0.7222 -0.7222 -0.5463 -0.5463 -0.4359 -0.4359 -0.2960 -0.2960 -0.2636 -0.2636 -0.2525 -0.2525 -0.2243 -0.2243 -0.1693 -0.1693 -0.1542 -0.1542 -0.1116 -0.1116 -0.0696 -0.0696 5.3222 5.3222 k = 0.1842 0.3813 0.5469 ( 12124 PWs) bands (ev): -13.9310 -13.9310 -13.9288 -13.9288 -13.8132 -13.8132 -13.8020 -13.8020 -12.2523 -12.2523 -12.2512 -12.2512 -12.1270 -12.1270 -12.1185 -12.1185 -6.1114 -6.1114 -6.1016 -6.1016 -6.0340 -6.0340 -6.0243 -6.0243 -5.7957 -5.7957 -5.7819 -5.7819 -5.7186 -5.7186 -5.7086 -5.7086 -5.6691 -5.6691 -5.6652 -5.6652 -3.6697 -3.6697 -3.6570 -3.6570 -2.3084 -2.3084 -2.2579 -2.2579 -2.0024 -2.0024 -1.8589 -1.8589 -1.8077 -1.8077 -1.7156 -1.7156 -1.5467 -1.5467 -1.5136 -1.5136 -1.3744 -1.3744 -1.3298 -1.3298 -0.8455 -0.8455 -0.7183 -0.7183 -0.5566 -0.5566 -0.4231 -0.4231 -0.3041 -0.3041 -0.2702 -0.2702 -0.2540 -0.2540 -0.2251 -0.2251 -0.1706 -0.1706 -0.1573 -0.1573 -0.1038 -0.1038 -0.0585 -0.0585 5.3030 5.3030 k = 0.1711 0.3912 0.5310 ( 12118 PWs) bands (ev): -13.9324 -13.9324 -13.9300 -13.9300 -13.8128 -13.8128 -13.7996 -13.7996 -12.2525 -12.2525 -12.2512 -12.2512 -12.1278 -12.1278 -12.1177 -12.1177 -6.1112 -6.1112 -6.1013 -6.1013 -6.0343 -6.0343 -6.0243 -6.0243 -5.7954 -5.7954 -5.7819 -5.7819 -5.7191 -5.7191 -5.7084 -5.7084 -5.6694 -5.6694 -5.6648 -5.6648 -3.6750 -3.6750 -3.6624 -3.6624 -2.3104 -2.3104 -2.2503 -2.2503 -2.0199 -2.0199 -1.8556 -1.8556 -1.8120 -1.8120 -1.7050 -1.7050 -1.5349 -1.5349 -1.4927 -1.4927 -1.3742 -1.3742 -1.3206 -1.3206 -0.8669 -0.8669 -0.7163 -0.7163 -0.5668 -0.5668 -0.4104 -0.4104 -0.3143 -0.3143 -0.2769 -0.2769 -0.2550 -0.2550 -0.2262 -0.2262 -0.1730 -0.1730 -0.1571 -0.1571 -0.0962 -0.0962 -0.0474 -0.0474 5.2816 5.2816 k = 0.1579 0.4011 0.5151 ( 12128 PWs) bands (ev): -13.9339 -13.9339 -13.9313 -13.9313 -13.8121 -13.8121 -13.7971 -13.7971 -12.2526 -12.2526 -12.2511 -12.2511 -12.1285 -12.1285 -12.1170 -12.1170 -6.1110 -6.1110 -6.1010 -6.1010 -6.0345 -6.0345 -6.0244 -6.0244 -5.7951 -5.7951 -5.7818 -5.7818 -5.7197 -5.7197 -5.7082 -5.7082 -5.6697 -5.6697 -5.6645 -5.6645 -3.6809 -3.6809 -3.6685 -3.6685 -2.3121 -2.3121 -2.2428 -2.2428 -2.0365 -2.0365 -1.8532 -1.8532 -1.8159 -1.8159 -1.6950 -1.6950 -1.5230 -1.5230 -1.4684 -1.4684 -1.3733 -1.3733 -1.3101 -1.3101 -0.8891 -0.8891 -0.7162 -0.7162 -0.5769 -0.5769 -0.3980 -0.3980 -0.3257 -0.3257 -0.2840 -0.2840 -0.2558 -0.2558 -0.2274 -0.2274 -0.1758 -0.1758 -0.1548 -0.1548 -0.0889 -0.0889 -0.0367 -0.0367 5.2586 5.2586 k = 0.1447 0.4111 0.4992 ( 12130 PWs) bands (ev): -13.9355 -13.9355 -13.9328 -13.9328 -13.8112 -13.8112 -13.7947 -13.7947 -12.2528 -12.2528 -12.2511 -12.2511 -12.1293 -12.1293 -12.1163 -12.1163 -6.1107 -6.1107 -6.1007 -6.1007 -6.0348 -6.0348 -6.0244 -6.0244 -5.7947 -5.7947 -5.7818 -5.7818 -5.7203 -5.7203 -5.7081 -5.7081 -5.6700 -5.6700 -5.6642 -5.6642 -3.6872 -3.6872 -3.6749 -3.6749 -2.3136 -2.3136 -2.2354 -2.2354 -2.0520 -2.0520 -1.8517 -1.8517 -1.8193 -1.8193 -1.6851 -1.6851 -1.5114 -1.5114 -1.4419 -1.4419 -1.3716 -1.3716 -1.2986 -1.2986 -0.9119 -0.9119 -0.7178 -0.7178 -0.5870 -0.5870 -0.3866 -0.3866 -0.3373 -0.3373 -0.2915 -0.2915 -0.2563 -0.2563 -0.2283 -0.2283 -0.1781 -0.1781 -0.1516 -0.1516 -0.0821 -0.0821 -0.0264 -0.0264 5.2346 5.2346 k = 0.1316 0.4210 0.4833 ( 12126 PWs) bands (ev): -13.9371 -13.9371 -13.9343 -13.9343 -13.8103 -13.8103 -13.7922 -13.7922 -12.2530 -12.2530 -12.2511 -12.2511 -12.1299 -12.1299 -12.1156 -12.1156 -6.1104 -6.1104 -6.1004 -6.1004 -6.0350 -6.0350 -6.0245 -6.0245 -5.7942 -5.7942 -5.7817 -5.7817 -5.7209 -5.7209 -5.7079 -5.7079 -5.6703 -5.6703 -5.6639 -5.6639 -3.6936 -3.6936 -3.6815 -3.6815 -2.3150 -2.3150 -2.2283 -2.2283 -2.0662 -2.0662 -1.8511 -1.8511 -1.8220 -1.8220 -1.6751 -1.6751 -1.5002 -1.5002 -1.4152 -1.4152 -1.3682 -1.3682 -1.2861 -1.2861 -0.9350 -0.9350 -0.7209 -0.7209 -0.5973 -0.5973 -0.3774 -0.3774 -0.3477 -0.3477 -0.2992 -0.2992 -0.2567 -0.2567 -0.2289 -0.2289 -0.1797 -0.1797 -0.1481 -0.1481 -0.0757 -0.0757 -0.0167 -0.0167 5.2101 5.2101 k = 0.1184 0.4309 0.4674 ( 12134 PWs) bands (ev): -13.9386 -13.9386 -13.9358 -13.9358 -13.8093 -13.8093 -13.7899 -13.7899 -12.2531 -12.2531 -12.2511 -12.2511 -12.1306 -12.1306 -12.1150 -12.1150 -6.1100 -6.1100 -6.1001 -6.1001 -6.0353 -6.0353 -6.0245 -6.0245 -5.7938 -5.7938 -5.7817 -5.7817 -5.7215 -5.7215 -5.7078 -5.7078 -5.6706 -5.6706 -5.6636 -5.6636 -3.7002 -3.7002 -3.6881 -3.6881 -2.3164 -2.3164 -2.2216 -2.2216 -2.0790 -2.0790 -1.8516 -1.8516 -1.8238 -1.8238 -1.6649 -1.6649 -1.4893 -1.4893 -1.3926 -1.3926 -1.3598 -1.3598 -1.2729 -1.2729 -0.9580 -0.9580 -0.7252 -0.7252 -0.6078 -0.6078 -0.3751 -0.3751 -0.3522 -0.3522 -0.3065 -0.3065 -0.2570 -0.2570 -0.2291 -0.2291 -0.1807 -0.1807 -0.1446 -0.1446 -0.0699 -0.0699 -0.0077 -0.0077 5.1858 5.1858 k = 0.1053 0.4408 0.4515 ( 12130 PWs) bands (ev): -13.9400 -13.9400 -13.9373 -13.9373 -13.8083 -13.8083 -13.7877 -13.7877 -12.2533 -12.2533 -12.2511 -12.2511 -12.1311 -12.1311 -12.1144 -12.1144 -6.1097 -6.1097 -6.0999 -6.0999 -6.0355 -6.0355 -6.0246 -6.0246 -5.7933 -5.7933 -5.7818 -5.7818 -5.7221 -5.7221 -5.7076 -5.7076 -5.6708 -5.6708 -5.6634 -5.6634 -3.7066 -3.7066 -3.6945 -3.6945 -2.3178 -2.3178 -2.2153 -2.2153 -2.0903 -2.0903 -1.8530 -1.8530 -1.8247 -1.8247 -1.6546 -1.6546 -1.4785 -1.4785 -1.3809 -1.3809 -1.3412 -1.3412 -1.2591 -1.2591 -0.9803 -0.9803 -0.7303 -0.7303 -0.6188 -0.6188 -0.3821 -0.3821 -0.3489 -0.3489 -0.3122 -0.3122 -0.2574 -0.2574 -0.2289 -0.2289 -0.1811 -0.1811 -0.1412 -0.1412 -0.0647 -0.0647 0.0005 0.0005 5.1622 5.1622 k = 0.0921 0.4507 0.4356 ( 12134 PWs) bands (ev): -13.9414 -13.9414 -13.9387 -13.9387 -13.8073 -13.8073 -13.7857 -13.7857 -12.2534 -12.2534 -12.2511 -12.2511 -12.1317 -12.1317 -12.1139 -12.1139 -6.1093 -6.1093 -6.0997 -6.0997 -6.0358 -6.0358 -6.0247 -6.0247 -5.7927 -5.7927 -5.7818 -5.7818 -5.7226 -5.7226 -5.7075 -5.7075 -5.6710 -5.6710 -5.6632 -5.6632 -3.7127 -3.7127 -3.7006 -3.7006 -2.3192 -2.3192 -2.2095 -2.2095 -2.1003 -2.1003 -1.8551 -1.8551 -1.8248 -1.8248 -1.6444 -1.6444 -1.4678 -1.4678 -1.3765 -1.3765 -1.3171 -1.3171 -1.2448 -1.2448 -1.0017 -1.0017 -0.7358 -0.7358 -0.6302 -0.6302 -0.3919 -0.3919 -0.3462 -0.3462 -0.3142 -0.3142 -0.2579 -0.2579 -0.2285 -0.2285 -0.1812 -0.1812 -0.1382 -0.1382 -0.0600 -0.0600 0.0079 0.0079 5.1400 5.1400 k = 0.0789 0.4606 0.4197 ( 12132 PWs) bands (ev): -13.9426 -13.9426 -13.9399 -13.9399 -13.8063 -13.8063 -13.7838 -13.7838 -12.2536 -12.2536 -12.2511 -12.2511 -12.1321 -12.1321 -12.1135 -12.1135 -6.1089 -6.1089 -6.0996 -6.0996 -6.0360 -6.0360 -6.0247 -6.0247 -5.7922 -5.7922 -5.7819 -5.7819 -5.7231 -5.7231 -5.7074 -5.7074 -5.6712 -5.6712 -5.6630 -5.6630 -3.7183 -3.7183 -3.7062 -3.7062 -2.3207 -2.3207 -2.2042 -2.2042 -2.1089 -2.1089 -1.8575 -1.8575 -1.8244 -1.8244 -1.6346 -1.6346 -1.4570 -1.4570 -1.3746 -1.3746 -1.2939 -1.2939 -1.2299 -1.2299 -1.0216 -1.0216 -0.7412 -0.7412 -0.6419 -0.6419 -0.4017 -0.4017 -0.3476 -0.3476 -0.3112 -0.3112 -0.2586 -0.2586 -0.2280 -0.2280 -0.1811 -0.1811 -0.1354 -0.1354 -0.0558 -0.0558 0.0145 0.0145 5.1195 5.1195 k = 0.0658 0.4706 0.4038 ( 12126 PWs) bands (ev): -13.9437 -13.9437 -13.9411 -13.9411 -13.8055 -13.8055 -13.7822 -13.7822 -12.2537 -12.2537 -12.2512 -12.2512 -12.1325 -12.1325 -12.1131 -12.1131 -6.1084 -6.1084 -6.0995 -6.0995 -6.0362 -6.0362 -6.0248 -6.0248 -5.7917 -5.7917 -5.7821 -5.7821 -5.7236 -5.7236 -5.7073 -5.7073 -5.6713 -5.6713 -5.6628 -5.6628 -3.7233 -3.7233 -3.7112 -3.7112 -2.3221 -2.3221 -2.1995 -2.1995 -2.1163 -2.1163 -1.8598 -1.8598 -1.8237 -1.8237 -1.6256 -1.6256 -1.4460 -1.4460 -1.3741 -1.3741 -1.2747 -1.2747 -1.2139 -1.2139 -1.0395 -1.0395 -0.7461 -0.7461 -0.6538 -0.6538 -0.4105 -0.4105 -0.3516 -0.3516 -0.3053 -0.3053 -0.2595 -0.2595 -0.2273 -0.2273 -0.1809 -0.1809 -0.1331 -0.1331 -0.0523 -0.0523 0.0201 0.0201 5.1013 5.1013 k = 0.0526 0.4805 0.3879 ( 12130 PWs) bands (ev): -13.9445 -13.9445 -13.9421 -13.9421 -13.8047 -13.8047 -13.7809 -13.7809 -12.2538 -12.2538 -12.2512 -12.2512 -12.1328 -12.1328 -12.1128 -12.1128 -6.1081 -6.1081 -6.0994 -6.0994 -6.0363 -6.0363 -6.0248 -6.0248 -5.7912 -5.7912 -5.7822 -5.7822 -5.7239 -5.7239 -5.7072 -5.7072 -5.6715 -5.6715 -5.6627 -5.6627 -3.7276 -3.7276 -3.7154 -3.7154 -2.3234 -2.3234 -2.1953 -2.1953 -2.1224 -2.1224 -1.8620 -1.8620 -1.8230 -1.8230 -1.6177 -1.6177 -1.4349 -1.4349 -1.3748 -1.3748 -1.2611 -1.2611 -1.1968 -1.1968 -1.0552 -1.0552 -0.7499 -0.7499 -0.6654 -0.6654 -0.4181 -0.4181 -0.3563 -0.3563 -0.2985 -0.2985 -0.2608 -0.2608 -0.2267 -0.2267 -0.1806 -0.1806 -0.1312 -0.1312 -0.0494 -0.0494 0.0247 0.0247 5.0858 5.0858 k = 0.0395 0.4904 0.3719 ( 12126 PWs) bands (ev): -13.9453 -13.9453 -13.9428 -13.9428 -13.8041 -13.8041 -13.7798 -13.7798 -12.2539 -12.2539 -12.2512 -12.2512 -12.1331 -12.1331 -12.1126 -12.1126 -6.1078 -6.1078 -6.0994 -6.0994 -6.0364 -6.0364 -6.0249 -6.0249 -5.7908 -5.7908 -5.7824 -5.7824 -5.7242 -5.7242 -5.7072 -5.7072 -5.6715 -5.6715 -5.6626 -5.6626 -3.7311 -3.7311 -3.7188 -3.7188 -2.3245 -2.3245 -2.1919 -2.1919 -2.1274 -2.1274 -1.8638 -1.8638 -1.8224 -1.8224 -1.6113 -1.6113 -1.4237 -1.4237 -1.3769 -1.3769 -1.2529 -1.2529 -1.1793 -1.1793 -1.0686 -1.0686 -0.7523 -0.7523 -0.6762 -0.6762 -0.4242 -0.4242 -0.3604 -0.3604 -0.2920 -0.2920 -0.2625 -0.2625 -0.2261 -0.2261 -0.1803 -0.1803 -0.1297 -0.1297 -0.0471 -0.0471 0.0283 0.0283 5.0734 5.0734 k = 0.0263 0.5003 0.3560 ( 12128 PWs) bands (ev): -13.9458 -13.9458 -13.9434 -13.9434 -13.8037 -13.8037 -13.7790 -13.7790 -12.2539 -12.2539 -12.2512 -12.2512 -12.1333 -12.1333 -12.1124 -12.1124 -6.1075 -6.1075 -6.0994 -6.0994 -6.0365 -6.0365 -6.0249 -6.0249 -5.7904 -5.7904 -5.7825 -5.7825 -5.7244 -5.7244 -5.7072 -5.7072 -5.6716 -5.6716 -5.6625 -5.6625 -3.7336 -3.7336 -3.7213 -3.7213 -2.3254 -2.3254 -2.1892 -2.1892 -2.1311 -2.1311 -1.8651 -1.8651 -1.8219 -1.8219 -1.6065 -1.6065 -1.4129 -1.4129 -1.3806 -1.3806 -1.2488 -1.2488 -1.1633 -1.1633 -1.0799 -1.0799 -0.7535 -0.7535 -0.6853 -0.6853 -0.4287 -0.4287 -0.3636 -0.3636 -0.2863 -0.2863 -0.2645 -0.2645 -0.2257 -0.2257 -0.1801 -0.1801 -0.1286 -0.1286 -0.0455 -0.0455 0.0309 0.0309 5.0644 5.0644 k = 0.0132 0.5102 0.3401 ( 12138 PWs) bands (ev): -13.9461 -13.9461 -13.9437 -13.9437 -13.8034 -13.8034 -13.7786 -13.7786 -12.2540 -12.2540 -12.2512 -12.2512 -12.1334 -12.1334 -12.1123 -12.1123 -6.1074 -6.1074 -6.0994 -6.0994 -6.0366 -6.0366 -6.0250 -6.0250 -5.7902 -5.7902 -5.7826 -5.7826 -5.7246 -5.7246 -5.7072 -5.7072 -5.6717 -5.6717 -5.6625 -5.6625 -3.7351 -3.7351 -3.7228 -3.7228 -2.3259 -2.3259 -2.1875 -2.1875 -2.1334 -2.1334 -1.8659 -1.8659 -1.8216 -1.8216 -1.6036 -1.6036 -1.4028 -1.4028 -1.3861 -1.3861 -1.2472 -1.2472 -1.1510 -1.1510 -1.0884 -1.0884 -0.7537 -0.7537 -0.6916 -0.6916 -0.4314 -0.4314 -0.3655 -0.3655 -0.2820 -0.2820 -0.2665 -0.2665 -0.2254 -0.2254 -0.1800 -0.1800 -0.1279 -0.1279 -0.0445 -0.0445 0.0325 0.0325 5.0588 5.0588 k = 0.0000 0.5201 0.3242 ( 12134 PWs) bands (ev): -13.9462 -13.9462 -13.9439 -13.9439 -13.8033 -13.8033 -13.7784 -13.7784 -12.2540 -12.2540 -12.2512 -12.2512 -12.1334 -12.1334 -12.1123 -12.1123 -6.1074 -6.1074 -6.0994 -6.0994 -6.0366 -6.0366 -6.0250 -6.0250 -5.7902 -5.7902 -5.7826 -5.7826 -5.7246 -5.7246 -5.7072 -5.7072 -5.6717 -5.6717 -5.6625 -5.6625 -3.7357 -3.7357 -3.7233 -3.7233 -2.3261 -2.3261 -2.1869 -2.1869 -2.1342 -2.1342 -1.8662 -1.8662 -1.8215 -1.8215 -1.6026 -1.6026 -1.3954 -1.3954 -1.3919 -1.3919 -1.2468 -1.2468 -1.1461 -1.1461 -1.0919 -1.0919 -0.7536 -0.7536 -0.6939 -0.6939 -0.4323 -0.4323 -0.3662 -0.3662 -0.2802 -0.2802 -0.2675 -0.2675 -0.2253 -0.2253 -0.1799 -0.1799 -0.1277 -0.1277 -0.0442 -0.0442 0.0330 0.0330 5.0570 5.0570 k = 0.0000 0.5201 0.3242 ( 12134 PWs) bands (ev): -13.9462 -13.9462 -13.9439 -13.9439 -13.8033 -13.8033 -13.7784 -13.7784 -12.2540 -12.2540 -12.2512 -12.2512 -12.1334 -12.1334 -12.1123 -12.1123 -6.1074 -6.1074 -6.0994 -6.0994 -6.0366 -6.0366 -6.0250 -6.0250 -5.7902 -5.7902 -5.7826 -5.7826 -5.7246 -5.7246 -5.7072 -5.7072 -5.6717 -5.6717 -5.6625 -5.6625 -3.7357 -3.7357 -3.7233 -3.7233 -2.3261 -2.3261 -2.1869 -2.1869 -2.1342 -2.1342 -1.8662 -1.8662 -1.8215 -1.8215 -1.6026 -1.6026 -1.3954 -1.3954 -1.3919 -1.3919 -1.2468 -1.2468 -1.1461 -1.1461 -1.0919 -1.0919 -0.7536 -0.7536 -0.6939 -0.6939 -0.4323 -0.4323 -0.3662 -0.3662 -0.2802 -0.2802 -0.2675 -0.2675 -0.2253 -0.2253 -0.1799 -0.1799 -0.1277 -0.1277 -0.0442 -0.0442 0.0330 0.0330 5.0570 5.0570 k = 0.0185 0.5270 0.3132 ( 12125 PWs) bands (ev): -13.9462 -13.9462 -13.9437 -13.9437 -13.8039 -13.8039 -13.7779 -13.7779 -12.2542 -12.2542 -12.2511 -12.2511 -12.1335 -12.1335 -12.1122 -12.1122 -6.1075 -6.1075 -6.0993 -6.0993 -6.0366 -6.0366 -6.0250 -6.0250 -5.7903 -5.7903 -5.7825 -5.7825 -5.7246 -5.7246 -5.7072 -5.7072 -5.6717 -5.6717 -5.6624 -5.6624 -3.7353 -3.7353 -3.7226 -3.7226 -2.3264 -2.3264 -2.1871 -2.1871 -2.1325 -2.1325 -1.8673 -1.8673 -1.8199 -1.8199 -1.6018 -1.6018 -1.4060 -1.4060 -1.3815 -1.3815 -1.2465 -1.2465 -1.1461 -1.1461 -1.0911 -1.0911 -0.7546 -0.7546 -0.6939 -0.6939 -0.4320 -0.4320 -0.3675 -0.3675 -0.2816 -0.2816 -0.2670 -0.2670 -0.2261 -0.2261 -0.1801 -0.1801 -0.1285 -0.1285 -0.0450 -0.0450 0.0320 0.0320 5.0582 5.0582 k = 0.0370 0.5339 0.3022 ( 12117 PWs) bands (ev): -13.9463 -13.9463 -13.9434 -13.9434 -13.8054 -13.8054 -13.7764 -13.7764 -12.2547 -12.2547 -12.2511 -12.2511 -12.1337 -12.1337 -12.1120 -12.1120 -6.1078 -6.1078 -6.0990 -6.0990 -6.0367 -6.0367 -6.0249 -6.0249 -5.7908 -5.7908 -5.7821 -5.7821 -5.7246 -5.7246 -5.7072 -5.7072 -5.6719 -5.6719 -5.6622 -5.6622 -3.7340 -3.7340 -3.7205 -3.7205 -2.3274 -2.3274 -2.1877 -2.1877 -2.1276 -2.1276 -1.8703 -1.8703 -1.8154 -1.8154 -1.5996 -1.5996 -1.4181 -1.4181 -1.3698 -1.3698 -1.2455 -1.2455 -1.1463 -1.1463 -1.0888 -1.0888 -0.7576 -0.7576 -0.6941 -0.6941 -0.4310 -0.4310 -0.3714 -0.3714 -0.2855 -0.2855 -0.2661 -0.2661 -0.2283 -0.2283 -0.1807 -0.1807 -0.1310 -0.1310 -0.0477 -0.0477 0.0290 0.0290 5.0619 5.0619 k = 0.0555 0.5407 0.2912 ( 12106 PWs) bands (ev): -13.9465 -13.9465 -13.9428 -13.9428 -13.8075 -13.8075 -13.7743 -13.7743 -12.2556 -12.2556 -12.2510 -12.2510 -12.1340 -12.1340 -12.1117 -12.1117 -6.1083 -6.1083 -6.0986 -6.0986 -6.0370 -6.0370 -6.0249 -6.0249 -5.7914 -5.7914 -5.7816 -5.7816 -5.7245 -5.7245 -5.7074 -5.7074 -5.6722 -5.6722 -5.6620 -5.6620 -3.7319 -3.7319 -3.7171 -3.7171 -2.3289 -2.3289 -2.1881 -2.1881 -2.1201 -2.1201 -1.8742 -1.8742 -1.8089 -1.8089 -1.5960 -1.5960 -1.4300 -1.4300 -1.3586 -1.3586 -1.2440 -1.2440 -1.1463 -1.1463 -1.0851 -1.0851 -0.7623 -0.7623 -0.6947 -0.6947 -0.4295 -0.4295 -0.3774 -0.3774 -0.2914 -0.2914 -0.2653 -0.2653 -0.2318 -0.2318 -0.1818 -0.1818 -0.1350 -0.1350 -0.0520 -0.0520 0.0241 0.0241 5.0682 5.0682 k = 0.0740 0.5476 0.2802 ( 12102 PWs) bands (ev): -13.9465 -13.9465 -13.9421 -13.9421 -13.8101 -13.8101 -13.7717 -13.7717 -12.2566 -12.2566 -12.2511 -12.2511 -12.1345 -12.1345 -12.1112 -12.1112 -6.1089 -6.1089 -6.0981 -6.0981 -6.0373 -6.0373 -6.0249 -6.0249 -5.7923 -5.7923 -5.7810 -5.7810 -5.7245 -5.7245 -5.7076 -5.7076 -5.6726 -5.6726 -5.6616 -5.6616 -3.7288 -3.7288 -3.7126 -3.7126 -2.3309 -2.3309 -2.1882 -2.1882 -2.1105 -2.1105 -1.8784 -1.8784 -1.8011 -1.8011 -1.5913 -1.5913 -1.4415 -1.4415 -1.3479 -1.3479 -1.2423 -1.2423 -1.1461 -1.1461 -1.0800 -1.0800 -0.7687 -0.7687 -0.6958 -0.6958 -0.4276 -0.4276 -0.3848 -0.3848 -0.2993 -0.2993 -0.2651 -0.2651 -0.2366 -0.2366 -0.1835 -0.1835 -0.1405 -0.1405 -0.0580 -0.0580 0.0173 0.0173 5.0768 5.0768 k = 0.0925 0.5545 0.2691 ( 12107 PWs) bands (ev): -13.9466 -13.9466 -13.9414 -13.9414 -13.8130 -13.8130 -13.7689 -13.7689 -12.2577 -12.2577 -12.2514 -12.2514 -12.1351 -12.1351 -12.1107 -12.1107 -6.1097 -6.1097 -6.0976 -6.0976 -6.0376 -6.0376 -6.0249 -6.0249 -5.7932 -5.7932 -5.7803 -5.7803 -5.7245 -5.7245 -5.7078 -5.7078 -5.6732 -5.6732 -5.6613 -5.6613 -3.7248 -3.7248 -3.7070 -3.7070 -2.3331 -2.3331 -2.1877 -2.1877 -2.0993 -2.0993 -1.8826 -1.8826 -1.7924 -1.7924 -1.5857 -1.5857 -1.4520 -1.4520 -1.3378 -1.3378 -1.2403 -1.2403 -1.1454 -1.1454 -1.0736 -1.0736 -0.7763 -0.7763 -0.6978 -0.6978 -0.4257 -0.4257 -0.3928 -0.3928 -0.3090 -0.3090 -0.2657 -0.2657 -0.2425 -0.2425 -0.1861 -0.1861 -0.1473 -0.1473 -0.0656 -0.0656 0.0087 0.0087 5.0879 5.0879 k = 0.1110 0.5613 0.2581 ( 12118 PWs) bands (ev): -13.9466 -13.9466 -13.9405 -13.9405 -13.8159 -13.8159 -13.7659 -13.7659 -12.2590 -12.2590 -12.2518 -12.2518 -12.1357 -12.1357 -12.1100 -12.1100 -6.1105 -6.1105 -6.0970 -6.0970 -6.0381 -6.0381 -6.0249 -6.0249 -5.7942 -5.7942 -5.7797 -5.7797 -5.7245 -5.7245 -5.7081 -5.7081 -5.6738 -5.6738 -5.6609 -5.6609 -3.7198 -3.7198 -3.7004 -3.7004 -2.3354 -2.3354 -2.1864 -2.1864 -2.0868 -2.0868 -1.8863 -1.8863 -1.7831 -1.7831 -1.5796 -1.5796 -1.4611 -1.4611 -1.3285 -1.3285 -1.2384 -1.2384 -1.1440 -1.1440 -1.0659 -1.0659 -0.7851 -0.7851 -0.7009 -0.7009 -0.4245 -0.4245 -0.4002 -0.4002 -0.3204 -0.3204 -0.2675 -0.2675 -0.2493 -0.2493 -0.1898 -0.1898 -0.1551 -0.1551 -0.0746 -0.0746 -0.0016 -0.0016 5.1013 5.1013 k = 0.1295 0.5682 0.2471 ( 12123 PWs) bands (ev): -13.9465 -13.9465 -13.9395 -13.9395 -13.8190 -13.8190 -13.7629 -13.7629 -12.2603 -12.2603 -12.2524 -12.2524 -12.1365 -12.1365 -12.1093 -12.1093 -6.1114 -6.1114 -6.0964 -6.0964 -6.0386 -6.0386 -6.0249 -6.0249 -5.7953 -5.7953 -5.7791 -5.7791 -5.7244 -5.7244 -5.7085 -5.7085 -5.6744 -5.6744 -5.6605 -5.6605 -3.7138 -3.7138 -3.6931 -3.6931 -2.3376 -2.3376 -2.1844 -2.1844 -2.0736 -2.0736 -1.8895 -1.8895 -1.7733 -1.7733 -1.5739 -1.5739 -1.4682 -1.4682 -1.3199 -1.3199 -1.2364 -1.2364 -1.1417 -1.1417 -1.0572 -1.0572 -0.7950 -0.7950 -0.7053 -0.7053 -0.4259 -0.4259 -0.4048 -0.4048 -0.3334 -0.3334 -0.2708 -0.2708 -0.2566 -0.2566 -0.1951 -0.1951 -0.1635 -0.1635 -0.0849 -0.0849 -0.0135 -0.0135 5.1169 5.1169 k = 0.1480 0.5751 0.2361 ( 12120 PWs) bands (ev): -13.9464 -13.9464 -13.9384 -13.9384 -13.8221 -13.8221 -13.7599 -13.7599 -12.2617 -12.2617 -12.2532 -12.2532 -12.1373 -12.1373 -12.1085 -12.1085 -6.1123 -6.1123 -6.0959 -6.0959 -6.0391 -6.0391 -6.0249 -6.0249 -5.7963 -5.7963 -5.7785 -5.7785 -5.7243 -5.7243 -5.7089 -5.7089 -5.6751 -5.6751 -5.6600 -5.6600 -3.7069 -3.7069 -3.6850 -3.6850 -2.3397 -2.3397 -2.1817 -2.1817 -2.0598 -2.0598 -1.8920 -1.8920 -1.7633 -1.7633 -1.5693 -1.5693 -1.4724 -1.4724 -1.3124 -1.3124 -1.2341 -1.2341 -1.1385 -1.1385 -1.0476 -1.0476 -0.8056 -0.8056 -0.7111 -0.7111 -0.4307 -0.4307 -0.4054 -0.4054 -0.3479 -0.3479 -0.2762 -0.2762 -0.2639 -0.2639 -0.2026 -0.2026 -0.1716 -0.1716 -0.0964 -0.0964 -0.0267 -0.0267 5.1347 5.1347 k = 0.1665 0.5819 0.2251 ( 12106 PWs) bands (ev): -13.9463 -13.9463 -13.9373 -13.9373 -13.8251 -13.8251 -13.7570 -13.7570 -12.2631 -12.2631 -12.2541 -12.2541 -12.1382 -12.1382 -12.1076 -12.1076 -6.1131 -6.1131 -6.0953 -6.0953 -6.0396 -6.0396 -6.0250 -6.0250 -5.7973 -5.7973 -5.7779 -5.7779 -5.7242 -5.7242 -5.7093 -5.7093 -5.6757 -5.6757 -5.6595 -5.6595 -3.6991 -3.6991 -3.6764 -3.6764 -2.3414 -2.3414 -2.1783 -2.1783 -2.0459 -2.0459 -1.8935 -1.8935 -1.7532 -1.7532 -1.5668 -1.5668 -1.4729 -1.4729 -1.3061 -1.3061 -1.2312 -1.2312 -1.1344 -1.1344 -1.0372 -1.0372 -0.8170 -0.8170 -0.7183 -0.7183 -0.4373 -0.4373 -0.4037 -0.4037 -0.3636 -0.3636 -0.2840 -0.2840 -0.2708 -0.2708 -0.2124 -0.2124 -0.1792 -0.1792 -0.1089 -0.1089 -0.0412 -0.0412 5.1543 5.1543 k = 0.1849 0.5888 0.2141 ( 12092 PWs) bands (ev): -13.9461 -13.9461 -13.9361 -13.9361 -13.8281 -13.8281 -13.7540 -13.7540 -12.2646 -12.2646 -12.2551 -12.2551 -12.1391 -12.1391 -12.1068 -12.1068 -6.1140 -6.1140 -6.0948 -6.0948 -6.0401 -6.0401 -6.0250 -6.0250 -5.7983 -5.7983 -5.7774 -5.7774 -5.7241 -5.7241 -5.7097 -5.7097 -5.6764 -5.6764 -5.6590 -5.6590 -3.6905 -3.6905 -3.6673 -3.6673 -2.3429 -2.3429 -2.1743 -2.1743 -2.0323 -2.0323 -1.8939 -1.8939 -1.7433 -1.7433 -1.5668 -1.5668 -1.4695 -1.4695 -1.3012 -1.3012 -1.2271 -1.2271 -1.1293 -1.1293 -1.0262 -1.0262 -0.8289 -0.8289 -0.7270 -0.7270 -0.4439 -0.4439 -0.4016 -0.4016 -0.3801 -0.3801 -0.2940 -0.2940 -0.2773 -0.2773 -0.2245 -0.2245 -0.1860 -0.1860 -0.1222 -0.1222 -0.0568 -0.0568 5.1756 5.1756 k = 0.2034 0.5957 0.2030 ( 12100 PWs) bands (ev): -13.9459 -13.9459 -13.9349 -13.9349 -13.8310 -13.8310 -13.7512 -13.7512 -12.2660 -12.2660 -12.2563 -12.2563 -12.1401 -12.1401 -12.1058 -12.1058 -6.1149 -6.1149 -6.0943 -6.0943 -6.0407 -6.0407 -6.0252 -6.0252 -5.7993 -5.7993 -5.7770 -5.7770 -5.7240 -5.7240 -5.7102 -5.7102 -5.6771 -5.6771 -5.6585 -5.6585 -3.6812 -3.6812 -3.6578 -3.6578 -2.3439 -2.3439 -2.1696 -2.1696 -2.0193 -2.0193 -1.8931 -1.8931 -1.7336 -1.7336 -1.5691 -1.5691 -1.4626 -1.4626 -1.2977 -1.2977 -1.2214 -1.2214 -1.1235 -1.1235 -1.0149 -1.0149 -0.8411 -0.8411 -0.7369 -0.7369 -0.4499 -0.4499 -0.4030 -0.4030 -0.3942 -0.3942 -0.3055 -0.3055 -0.2840 -0.2840 -0.2380 -0.2380 -0.1924 -0.1924 -0.1361 -0.1361 -0.0731 -0.0731 5.1985 5.1985 k = 0.2219 0.6025 0.1920 ( 12101 PWs) bands (ev): -13.9458 -13.9458 -13.9336 -13.9336 -13.8338 -13.8338 -13.7484 -13.7484 -12.2674 -12.2674 -12.2576 -12.2576 -12.1411 -12.1411 -12.1049 -12.1049 -6.1157 -6.1157 -6.0939 -6.0939 -6.0412 -6.0412 -6.0253 -6.0253 -5.8002 -5.8002 -5.7766 -5.7766 -5.7239 -5.7239 -5.7108 -5.7108 -5.6778 -5.6778 -5.6580 -5.6580 -3.6714 -3.6714 -3.6481 -3.6481 -2.3446 -2.3446 -2.1645 -2.1645 -2.0074 -2.0074 -1.8908 -1.8908 -1.7245 -1.7245 -1.5729 -1.5729 -1.4535 -1.4535 -1.2952 -1.2952 -1.2140 -1.2140 -1.1170 -1.1170 -1.0036 -1.0036 -0.8534 -0.8534 -0.7479 -0.7479 -0.4553 -0.4553 -0.4180 -0.4180 -0.3959 -0.3959 -0.3185 -0.3185 -0.2911 -0.2911 -0.2521 -0.2521 -0.1987 -0.1987 -0.1504 -0.1504 -0.0901 -0.0901 5.2225 5.2225 k = 0.2404 0.6094 0.1810 ( 12090 PWs) bands (ev): -13.9456 -13.9456 -13.9323 -13.9323 -13.8365 -13.8365 -13.7458 -13.7458 -12.2688 -12.2688 -12.2589 -12.2589 -12.1422 -12.1422 -12.1040 -12.1040 -6.1165 -6.1165 -6.0935 -6.0935 -6.0417 -6.0417 -6.0255 -6.0255 -5.8011 -5.8011 -5.7763 -5.7763 -5.7237 -5.7237 -5.7113 -5.7113 -5.6785 -5.6785 -5.6575 -5.6575 -3.6611 -3.6611 -3.6383 -3.6383 -2.3448 -2.3448 -2.1589 -2.1589 -1.9968 -1.9968 -1.8869 -1.8869 -1.7161 -1.7161 -1.5774 -1.5774 -1.4433 -1.4433 -1.2928 -1.2928 -1.2049 -1.2049 -1.1099 -1.1099 -0.9927 -0.9927 -0.8653 -0.8653 -0.7596 -0.7596 -0.4606 -0.4606 -0.4355 -0.4355 -0.3960 -0.3960 -0.3328 -0.3328 -0.2984 -0.2984 -0.2659 -0.2659 -0.2052 -0.2052 -0.1649 -0.1649 -0.1074 -0.1074 5.2475 5.2475 k = 0.2589 0.6163 0.1700 ( 12094 PWs) bands (ev): -13.9454 -13.9454 -13.9310 -13.9310 -13.8391 -13.8391 -13.7433 -13.7433 -12.2701 -12.2701 -12.2604 -12.2604 -12.1432 -12.1432 -12.1031 -12.1031 -6.1173 -6.1173 -6.0931 -6.0931 -6.0423 -6.0423 -6.0257 -6.0257 -5.8020 -5.8020 -5.7761 -5.7761 -5.7235 -5.7235 -5.7119 -5.7119 -5.6792 -5.6792 -5.6570 -5.6570 -3.6505 -3.6505 -3.6286 -3.6286 -2.3445 -2.3445 -2.1529 -2.1529 -1.9878 -1.9878 -1.8814 -1.8814 -1.7088 -1.7088 -1.5822 -1.5822 -1.4333 -1.4333 -1.2897 -1.2897 -1.1944 -1.1944 -1.1022 -1.1022 -0.9828 -0.9828 -0.8763 -0.8763 -0.7719 -0.7719 -0.4682 -0.4682 -0.4504 -0.4504 -0.3977 -0.3977 -0.3487 -0.3487 -0.3056 -0.3056 -0.2787 -0.2787 -0.2118 -0.2118 -0.1791 -0.1791 -0.1249 -0.1249 5.2730 5.2730 k = 0.2774 0.6231 0.1590 ( 12104 PWs) bands (ev): -13.9452 -13.9452 -13.9297 -13.9297 -13.8415 -13.8415 -13.7409 -13.7409 -12.2713 -12.2713 -12.2619 -12.2619 -12.1442 -12.1442 -12.1022 -12.1022 -6.1181 -6.1181 -6.0929 -6.0929 -6.0428 -6.0428 -6.0259 -6.0259 -5.8028 -5.8028 -5.7759 -5.7759 -5.7233 -5.7233 -5.7125 -5.7125 -5.6799 -5.6799 -5.6566 -5.6566 -3.6397 -3.6397 -3.6190 -3.6190 -2.3439 -2.3439 -2.1466 -2.1466 -1.9804 -1.9804 -1.8747 -1.8747 -1.7027 -1.7027 -1.5870 -1.5870 -1.4243 -1.4243 -1.2847 -1.2847 -1.1828 -1.1828 -1.0940 -1.0940 -0.9749 -0.9749 -0.8853 -0.8853 -0.7844 -0.7844 -0.4825 -0.4825 -0.4583 -0.4583 -0.4018 -0.4018 -0.3661 -0.3661 -0.3122 -0.3122 -0.2899 -0.2899 -0.2188 -0.2188 -0.1928 -0.1928 -0.1422 -0.1422 5.2990 5.2990 k = 0.2959 0.6300 0.1480 ( 12098 PWs) bands (ev): -13.9451 -13.9451 -13.9283 -13.9283 -13.8438 -13.8438 -13.7387 -13.7387 -12.2724 -12.2724 -12.2634 -12.2634 -12.1452 -12.1452 -12.1013 -12.1013 -6.1188 -6.1188 -6.0926 -6.0926 -6.0432 -6.0432 -6.0261 -6.0261 -5.8035 -5.8035 -5.7758 -5.7758 -5.7230 -5.7230 -5.7131 -5.7131 -5.6805 -5.6805 -5.6561 -5.6561 -3.6289 -3.6289 -3.6097 -3.6097 -2.3428 -2.3428 -2.1401 -2.1401 -1.9743 -1.9743 -1.8671 -1.8671 -1.6979 -1.6979 -1.5914 -1.5914 -1.4172 -1.4172 -1.2772 -1.2772 -1.1704 -1.1704 -1.0853 -1.0853 -0.9702 -0.9702 -0.8907 -0.8907 -0.7970 -0.7970 -0.5006 -0.5006 -0.4618 -0.4618 -0.4086 -0.4086 -0.3846 -0.3846 -0.3177 -0.3177 -0.2997 -0.2997 -0.2262 -0.2262 -0.2053 -0.2053 -0.1592 -0.1592 5.3249 5.3249 k = 0.3144 0.6369 0.1369 ( 12098 PWs) bands (ev): -13.9450 -13.9450 -13.9270 -13.9270 -13.8460 -13.8460 -13.7366 -13.7366 -12.2734 -12.2734 -12.2649 -12.2649 -12.1461 -12.1461 -12.1004 -12.1004 -6.1195 -6.1195 -6.0923 -6.0923 -6.0436 -6.0436 -6.0264 -6.0264 -5.8042 -5.8042 -5.7757 -5.7757 -5.7228 -5.7228 -5.7137 -5.7137 -5.6810 -5.6810 -5.6557 -5.6557 -3.6182 -3.6182 -3.6007 -3.6007 -2.3414 -2.3414 -2.1337 -2.1337 -1.9692 -1.9692 -1.8594 -1.8594 -1.6944 -1.6944 -1.5957 -1.5957 -1.4122 -1.4122 -1.2669 -1.2669 -1.1574 -1.1574 -1.0762 -1.0762 -0.9698 -0.9698 -0.8913 -0.8913 -0.8093 -0.8093 -0.5195 -0.5195 -0.4640 -0.4640 -0.4188 -0.4188 -0.4031 -0.4031 -0.3221 -0.3221 -0.3081 -0.3081 -0.2341 -0.2341 -0.2164 -0.2164 -0.1755 -0.1755 5.3505 5.3505 k = 0.3329 0.6438 0.1259 ( 12093 PWs) bands (ev): -13.9450 -13.9450 -13.9257 -13.9257 -13.8480 -13.8480 -13.7347 -13.7347 -12.2743 -12.2743 -12.2665 -12.2665 -12.1471 -12.1471 -12.0997 -12.0997 -6.1201 -6.1201 -6.0921 -6.0921 -6.0440 -6.0440 -6.0266 -6.0266 -5.8049 -5.8049 -5.7756 -5.7756 -5.7224 -5.7224 -5.7144 -5.7144 -5.6816 -5.6816 -5.6553 -5.6553 -3.6078 -3.6078 -3.5924 -3.5924 -2.3397 -2.3397 -2.1273 -2.1273 -1.9647 -1.9647 -1.8520 -1.8520 -1.6922 -1.6922 -1.5998 -1.5998 -1.4092 -1.4092 -1.2541 -1.2541 -1.1443 -1.1443 -1.0668 -1.0668 -0.9735 -0.9735 -0.8870 -0.8870 -0.8213 -0.8213 -0.5382 -0.5382 -0.4660 -0.4660 -0.4339 -0.4339 -0.4189 -0.4189 -0.3258 -0.3258 -0.3154 -0.3154 -0.2421 -0.2421 -0.2259 -0.2259 -0.1910 -0.1910 5.3754 5.3754 k = 0.3514 0.6506 0.1149 ( 12090 PWs) bands (ev): -13.9450 -13.9450 -13.9244 -13.9244 -13.8497 -13.8497 -13.7330 -13.7330 -12.2750 -12.2750 -12.2679 -12.2679 -12.1479 -12.1479 -12.0989 -12.0989 -6.1206 -6.1206 -6.0919 -6.0919 -6.0443 -6.0443 -6.0268 -6.0268 -5.8054 -5.8054 -5.7756 -5.7756 -5.7221 -5.7221 -5.7150 -5.7150 -5.6820 -5.6820 -5.6549 -5.6549 -3.5979 -3.5979 -3.5846 -3.5846 -2.3377 -2.3377 -2.1213 -2.1213 -1.9605 -1.9605 -1.8457 -1.8457 -1.6909 -1.6909 -1.6039 -1.6039 -1.4077 -1.4077 -1.2393 -1.2393 -1.1315 -1.1315 -1.0571 -1.0571 -0.9795 -0.9795 -0.8790 -0.8790 -0.8326 -0.8326 -0.5566 -0.5566 -0.4687 -0.4687 -0.4528 -0.4528 -0.4316 -0.4316 -0.3293 -0.3293 -0.3216 -0.3216 -0.2495 -0.2495 -0.2339 -0.2339 -0.2054 -0.2054 5.3994 5.3994 k = 0.3699 0.6575 0.1039 ( 12087 PWs) bands (ev): -13.9451 -13.9451 -13.9232 -13.9232 -13.8514 -13.8514 -13.7314 -13.7314 -12.2757 -12.2757 -12.2694 -12.2694 -12.1487 -12.1487 -12.0982 -12.0982 -6.1211 -6.1211 -6.0918 -6.0918 -6.0446 -6.0446 -6.0270 -6.0270 -5.8059 -5.8059 -5.7756 -5.7756 -5.7217 -5.7217 -5.7156 -5.7156 -5.6825 -5.6825 -5.6546 -5.6546 -3.5886 -3.5886 -3.5776 -3.5776 -2.3354 -2.3354 -2.1158 -2.1158 -1.9564 -1.9564 -1.8408 -1.8408 -1.6904 -1.6904 -1.6080 -1.6080 -1.4074 -1.4074 -1.2233 -1.2233 -1.1196 -1.1196 -1.0471 -1.0471 -0.9861 -0.9861 -0.8691 -0.8691 -0.8427 -0.8427 -0.5742 -0.5742 -0.4773 -0.4773 -0.4673 -0.4673 -0.4431 -0.4431 -0.3330 -0.3330 -0.3267 -0.3267 -0.2557 -0.2557 -0.2411 -0.2411 -0.2183 -0.2183 5.4220 5.4220 k = 0.3884 0.6644 0.0929 ( 12080 PWs) bands (ev): -13.9452 -13.9452 -13.9220 -13.9220 -13.8528 -13.8528 -13.7300 -13.7300 -12.2761 -12.2761 -12.2707 -12.2707 -12.1494 -12.1494 -12.0976 -12.0976 -6.1215 -6.1215 -6.0917 -6.0917 -6.0449 -6.0449 -6.0272 -6.0272 -5.8063 -5.8063 -5.7757 -5.7757 -5.7213 -5.7213 -5.7162 -5.7162 -5.6828 -5.6828 -5.6543 -5.6543 -3.5801 -3.5801 -3.5715 -3.5715 -2.3328 -2.3328 -2.1110 -2.1110 -1.9523 -1.9523 -1.8376 -1.8376 -1.6903 -1.6903 -1.6122 -1.6122 -1.4079 -1.4079 -1.2070 -1.2070 -1.1094 -1.1094 -1.0368 -1.0368 -0.9918 -0.9918 -0.8624 -0.8624 -0.8470 -0.8470 -0.5911 -0.5911 -0.4960 -0.4960 -0.4724 -0.4724 -0.4536 -0.4536 -0.3368 -0.3368 -0.3307 -0.3307 -0.2604 -0.2604 -0.2476 -0.2476 -0.2296 -0.2296 5.4429 5.4429 k = 0.4069 0.6712 0.0818 ( 12084 PWs) bands (ev): -13.9455 -13.9455 -13.9208 -13.9208 -13.8540 -13.8540 -13.7288 -13.7288 -12.2765 -12.2765 -12.2719 -12.2719 -12.1501 -12.1501 -12.0971 -12.0971 -6.1219 -6.1219 -6.0917 -6.0917 -6.0450 -6.0450 -6.0274 -6.0274 -5.8066 -5.8066 -5.7758 -5.7758 -5.7210 -5.7210 -5.7168 -5.7168 -5.6831 -5.6831 -5.6540 -5.6540 -3.5726 -3.5726 -3.5663 -3.5663 -2.3301 -2.3301 -2.1070 -2.1070 -1.9481 -1.9481 -1.8362 -1.8362 -1.6904 -1.6904 -1.6166 -1.6166 -1.4092 -1.4092 -1.1911 -1.1911 -1.1015 -1.1015 -1.0264 -1.0264 -0.9955 -0.9955 -0.8674 -0.8674 -0.8371 -0.8371 -0.6070 -0.6070 -0.5149 -0.5149 -0.4779 -0.4779 -0.4624 -0.4624 -0.3403 -0.3403 -0.3336 -0.3336 -0.2638 -0.2638 -0.2536 -0.2536 -0.2390 -0.2390 5.4619 5.4619 k = 0.4254 0.6781 0.0708 ( 12069 PWs) bands (ev): -13.9458 -13.9458 -13.9197 -13.9197 -13.8551 -13.8551 -13.7278 -13.7278 -12.2767 -12.2767 -12.2730 -12.2730 -12.1506 -12.1506 -12.0967 -12.0967 -6.1222 -6.1222 -6.0916 -6.0916 -6.0452 -6.0452 -6.0276 -6.0276 -5.8069 -5.8069 -5.7758 -5.7758 -5.7205 -5.7205 -5.7173 -5.7173 -5.6834 -5.6834 -5.6538 -5.6538 -3.5662 -3.5662 -3.5621 -3.5621 -2.3272 -2.3272 -2.1040 -2.1040 -1.9442 -1.9442 -1.8364 -1.8364 -1.6907 -1.6907 -1.6210 -1.6210 -1.4110 -1.4110 -1.1766 -1.1766 -1.0961 -1.0961 -1.0164 -1.0164 -0.9967 -0.9967 -0.8751 -0.8751 -0.8221 -0.8221 -0.6218 -0.6218 -0.5321 -0.5321 -0.4852 -0.4852 -0.4689 -0.4689 -0.3432 -0.3432 -0.3357 -0.3357 -0.2661 -0.2661 -0.2593 -0.2593 -0.2462 -0.2462 5.4784 5.4784 k = 0.4439 0.6850 0.0598 ( 12072 PWs) bands (ev): -13.9462 -13.9462 -13.9187 -13.9187 -13.8559 -13.8559 -13.7270 -13.7270 -12.2769 -12.2769 -12.2738 -12.2738 -12.1511 -12.1511 -12.0963 -12.0963 -6.1224 -6.1224 -6.0916 -6.0916 -6.0453 -6.0453 -6.0278 -6.0278 -5.8071 -5.8071 -5.7759 -5.7759 -5.7202 -5.7202 -5.7178 -5.7178 -5.6836 -5.6836 -5.6536 -5.6536 -3.5610 -3.5610 -3.5589 -3.5589 -2.3242 -2.3242 -2.1021 -2.1021 -1.9408 -1.9408 -1.8376 -1.8376 -1.6913 -1.6913 -1.6254 -1.6254 -1.4133 -1.4133 -1.1647 -1.1647 -1.0926 -1.0926 -1.0079 -1.0079 -0.9946 -0.9946 -0.8819 -0.8819 -0.8052 -0.8052 -0.6354 -0.6354 -0.5471 -0.5471 -0.4932 -0.4932 -0.4740 -0.4740 -0.3450 -0.3450 -0.3370 -0.3370 -0.2678 -0.2678 -0.2641 -0.2641 -0.2513 -0.2513 5.4920 5.4920 k = 0.4624 0.6918 0.0488 ( 12064 PWs) bands (ev): -13.9468 -13.9468 -13.9178 -13.9178 -13.8566 -13.8566 -13.7264 -13.7264 -12.2771 -12.2771 -12.2743 -12.2743 -12.1514 -12.1514 -12.0960 -12.0960 -6.1225 -6.1225 -6.0915 -6.0915 -6.0453 -6.0453 -6.0278 -6.0278 -5.8072 -5.8072 -5.7760 -5.7760 -5.7200 -5.7200 -5.7181 -5.7181 -5.6837 -5.6837 -5.6534 -5.6534 -3.5574 -3.5574 -3.5565 -3.5565 -2.3210 -2.3210 -2.1014 -2.1014 -1.9385 -1.9385 -1.8393 -1.8393 -1.6921 -1.6921 -1.6298 -1.6298 -1.4161 -1.4161 -1.1565 -1.1565 -1.0898 -1.0898 -1.0021 -1.0021 -0.9893 -0.9893 -0.8866 -0.8866 -0.7874 -0.7874 -0.6473 -0.6473 -0.5594 -0.5594 -0.5007 -0.5007 -0.4784 -0.4784 -0.3457 -0.3457 -0.3375 -0.3375 -0.2692 -0.2692 -0.2675 -0.2675 -0.2546 -0.2546 5.5020 5.5020 k = 0.4624 0.6918 0.0488 ( 12064 PWs) bands (ev): -13.9468 -13.9468 -13.9178 -13.9178 -13.8566 -13.8566 -13.7264 -13.7264 -12.2771 -12.2771 -12.2743 -12.2743 -12.1514 -12.1514 -12.0960 -12.0960 -6.1225 -6.1225 -6.0915 -6.0915 -6.0453 -6.0453 -6.0278 -6.0278 -5.8072 -5.8072 -5.7760 -5.7760 -5.7200 -5.7200 -5.7181 -5.7181 -5.6837 -5.6837 -5.6534 -5.6534 -3.5574 -3.5574 -3.5565 -3.5565 -2.3210 -2.3210 -2.1014 -2.1014 -1.9385 -1.9385 -1.8393 -1.8393 -1.6921 -1.6921 -1.6298 -1.6298 -1.4161 -1.4161 -1.1565 -1.1565 -1.0898 -1.0898 -1.0021 -1.0021 -0.9893 -0.9893 -0.8866 -0.8866 -0.7874 -0.7874 -0.6473 -0.6473 -0.5594 -0.5594 -0.5007 -0.5007 -0.4784 -0.4784 -0.3457 -0.3457 -0.3375 -0.3375 -0.2692 -0.2692 -0.2675 -0.2675 -0.2546 -0.2546 5.5020 5.5020 k = 0.4749 0.6824 0.0325 ( 12056 PWs) bands (ev): -13.9474 -13.9474 -13.9167 -13.9167 -13.8572 -13.8572 -13.7257 -13.7257 -12.2775 -12.2775 -12.2746 -12.2746 -12.1518 -12.1518 -12.0957 -12.0957 -6.1227 -6.1227 -6.0915 -6.0915 -6.0454 -6.0454 -6.0279 -6.0279 -5.8072 -5.8072 -5.7761 -5.7761 -5.7199 -5.7199 -5.7182 -5.7182 -5.6839 -5.6839 -5.6533 -5.6533 -3.5553 -3.5553 -3.5528 -3.5528 -2.3171 -2.3171 -2.1013 -2.1013 -1.9364 -1.9364 -1.8415 -1.8415 -1.6934 -1.6934 -1.6352 -1.6352 -1.4200 -1.4200 -1.1492 -1.1492 -1.0866 -1.0866 -0.9961 -0.9961 -0.9815 -0.9815 -0.8909 -0.8909 -0.7615 -0.7615 -0.6637 -0.6637 -0.5732 -0.5732 -0.5099 -0.5099 -0.4833 -0.4833 -0.3459 -0.3459 -0.3375 -0.3375 -0.2715 -0.2715 -0.2705 -0.2705 -0.2576 -0.2576 5.5117 5.5117 k = 0.4875 0.6729 0.0163 ( 12060 PWs) bands (ev): -13.9479 -13.9479 -13.9160 -13.9160 -13.8576 -13.8576 -13.7253 -13.7253 -12.2776 -12.2776 -12.2749 -12.2749 -12.1520 -12.1520 -12.0955 -12.0955 -6.1227 -6.1227 -6.0916 -6.0916 -6.0455 -6.0455 -6.0280 -6.0280 -5.8073 -5.8073 -5.7762 -5.7762 -5.7199 -5.7199 -5.7183 -5.7183 -5.6840 -5.6840 -5.6532 -5.6532 -3.5543 -3.5543 -3.5504 -3.5504 -2.3147 -2.3147 -2.1012 -2.1012 -1.9351 -1.9351 -1.8429 -1.8429 -1.6941 -1.6941 -1.6384 -1.6384 -1.4225 -1.4225 -1.1449 -1.1449 -1.0847 -1.0847 -0.9924 -0.9924 -0.9761 -0.9761 -0.8935 -0.8935 -0.7379 -0.7379 -0.6809 -0.6809 -0.5821 -0.5821 -0.5162 -0.5162 -0.4859 -0.4859 -0.3460 -0.3460 -0.3375 -0.3375 -0.2730 -0.2730 -0.2722 -0.2722 -0.2592 -0.2592 5.5176 5.5176 k = 0.5000 0.6635 0.0000 ( 12054 PWs) bands (ev): -13.9480 -13.9480 -13.9158 -13.9158 -13.8577 -13.8577 -13.7252 -13.7252 -12.2777 -12.2777 -12.2749 -12.2749 -12.1521 -12.1521 -12.0955 -12.0955 -6.1227 -6.1227 -6.0916 -6.0916 -6.0455 -6.0455 -6.0280 -6.0280 -5.8073 -5.8073 -5.7762 -5.7762 -5.7199 -5.7199 -5.7183 -5.7183 -5.6841 -5.6841 -5.6531 -5.6531 -3.5539 -3.5539 -3.5496 -3.5496 -2.3139 -2.3139 -2.1012 -2.1012 -1.9347 -1.9347 -1.8434 -1.8434 -1.6944 -1.6944 -1.6395 -1.6395 -1.4233 -1.4233 -1.1434 -1.1434 -1.0841 -1.0841 -0.9911 -0.9911 -0.9742 -0.9742 -0.8943 -0.8943 -0.7248 -0.7248 -0.6918 -0.6918 -0.5851 -0.5851 -0.5184 -0.5184 -0.4868 -0.4868 -0.3461 -0.3461 -0.3375 -0.3375 -0.2736 -0.2736 -0.2727 -0.2727 -0.2598 -0.2598 5.5196 5.5196 k = 0.5000 0.6635 0.0000 ( 12054 PWs) bands (ev): -13.9480 -13.9480 -13.9158 -13.9158 -13.8577 -13.8577 -13.7252 -13.7252 -12.2777 -12.2777 -12.2749 -12.2749 -12.1521 -12.1521 -12.0955 -12.0955 -6.1227 -6.1227 -6.0916 -6.0916 -6.0455 -6.0455 -6.0280 -6.0280 -5.8073 -5.8073 -5.7762 -5.7762 -5.7199 -5.7199 -5.7183 -5.7183 -5.6841 -5.6841 -5.6531 -5.6531 -3.5539 -3.5539 -3.5496 -3.5496 -2.3139 -2.3139 -2.1012 -2.1012 -1.9347 -1.9347 -1.8434 -1.8434 -1.6944 -1.6944 -1.6395 -1.6395 -1.4233 -1.4233 -1.1434 -1.1434 -1.0841 -1.0841 -0.9911 -0.9911 -0.9742 -0.9742 -0.8943 -0.8943 -0.7248 -0.7248 -0.6918 -0.6918 -0.5851 -0.5851 -0.5184 -0.5184 -0.4868 -0.4868 -0.3461 -0.3461 -0.3375 -0.3375 -0.2736 -0.2736 -0.2727 -0.2727 -0.2598 -0.2598 5.5196 5.5196 k = 0.4861 0.6450 0.0000 ( 12062 PWs) bands (ev): -13.9482 -13.9482 -13.9157 -13.9157 -13.8577 -13.8577 -13.7253 -13.7253 -12.2779 -12.2779 -12.2746 -12.2746 -12.1520 -12.1520 -12.0955 -12.0955 -6.1227 -6.1227 -6.0916 -6.0916 -6.0455 -6.0455 -6.0280 -6.0280 -5.8072 -5.8072 -5.7762 -5.7762 -5.7202 -5.7202 -5.7180 -5.7180 -5.6840 -5.6840 -5.6531 -5.6531 -3.5548 -3.5548 -3.5503 -3.5503 -2.3132 -2.3132 -2.1023 -2.1023 -1.9362 -1.9362 -1.8433 -1.8433 -1.6950 -1.6950 -1.6403 -1.6403 -1.4242 -1.4242 -1.1467 -1.1467 -1.0833 -1.0833 -0.9892 -0.9892 -0.9764 -0.9764 -0.8912 -0.8912 -0.7296 -0.7296 -0.6838 -0.6838 -0.5839 -0.5839 -0.5176 -0.5176 -0.4876 -0.4876 -0.3452 -0.3452 -0.3367 -0.3367 -0.2740 -0.2740 -0.2712 -0.2712 -0.2590 -0.2590 5.5161 5.5161 k = 0.4722 0.6266-0.0000 ( 12082 PWs) bands (ev): -13.9488 -13.9488 -13.9153 -13.9153 -13.8574 -13.8574 -13.7255 -13.7255 -12.2782 -12.2782 -12.2737 -12.2737 -12.1519 -12.1519 -12.0956 -12.0956 -6.1226 -6.1226 -6.0917 -6.0917 -6.0454 -6.0454 -6.0280 -6.0280 -5.8071 -5.8071 -5.7763 -5.7763 -5.7208 -5.7208 -5.7174 -5.7174 -5.6840 -5.6840 -5.6532 -5.6532 -3.5573 -3.5573 -3.5523 -3.5523 -2.3110 -2.3110 -2.1056 -2.1056 -1.9406 -1.9406 -1.8434 -1.8434 -1.6969 -1.6969 -1.6424 -1.6424 -1.4265 -1.4265 -1.1548 -1.1548 -1.0828 -1.0828 -0.9867 -0.9867 -0.9782 -0.9782 -0.8827 -0.8827 -0.7377 -0.7377 -0.6664 -0.6664 -0.5801 -0.5801 -0.5154 -0.5154 -0.4899 -0.4899 -0.3426 -0.3426 -0.3343 -0.3343 -0.2741 -0.2741 -0.2683 -0.2683 -0.2564 -0.2564 5.5068 5.5068 k = 0.4583 0.6082 0.0000 ( 12088 PWs) bands (ev): -13.9499 -13.9499 -13.9148 -13.9148 -13.8570 -13.8570 -13.7259 -13.7259 -12.2784 -12.2784 -12.2726 -12.2726 -12.1517 -12.1517 -12.0958 -12.0958 -6.1223 -6.1223 -6.0918 -6.0918 -6.0453 -6.0453 -6.0279 -6.0279 -5.8068 -5.8068 -5.7764 -5.7764 -5.7215 -5.7215 -5.7166 -5.7166 -5.6839 -5.6839 -5.6533 -5.6533 -3.5614 -3.5614 -3.5556 -3.5556 -2.3074 -2.3074 -2.1110 -2.1110 -1.9471 -1.9471 -1.8452 -1.8452 -1.6998 -1.6998 -1.6459 -1.6459 -1.4299 -1.4299 -1.1653 -1.1653 -1.0852 -1.0852 -0.9940 -0.9940 -0.9671 -0.9671 -0.8708 -0.8708 -0.7446 -0.7446 -0.6450 -0.6450 -0.5738 -0.5738 -0.5117 -0.5117 -0.4933 -0.4933 -0.3388 -0.3388 -0.3301 -0.3301 -0.2738 -0.2738 -0.2655 -0.2655 -0.2507 -0.2507 5.4927 5.4927 k = 0.4444 0.5897-0.0000 ( 12080 PWs) bands (ev): -13.9513 -13.9513 -13.9140 -13.9140 -13.8564 -13.8564 -13.7264 -13.7264 -12.2786 -12.2786 -12.2712 -12.2712 -12.1513 -12.1513 -12.0960 -12.0960 -6.1219 -6.1219 -6.0919 -6.0919 -6.0452 -6.0452 -6.0277 -6.0277 -5.8064 -5.8064 -5.7765 -5.7765 -5.7221 -5.7221 -5.7158 -5.7158 -5.6838 -5.6838 -5.6533 -5.6533 -3.5672 -3.5672 -3.5601 -3.5601 -2.3025 -2.3025 -2.1184 -2.1184 -1.9550 -1.9550 -1.8499 -1.8499 -1.7033 -1.7033 -1.6505 -1.6505 -1.4335 -1.4335 -1.1763 -1.1763 -1.0908 -1.0908 -1.0039 -1.0039 -0.9497 -0.9497 -0.8569 -0.8569 -0.7495 -0.7495 -0.6216 -0.6216 -0.5647 -0.5647 -0.5065 -0.5065 -0.4970 -0.4970 -0.3338 -0.3338 -0.3239 -0.3239 -0.2732 -0.2732 -0.2633 -0.2633 -0.2418 -0.2418 5.4746 5.4746 k = 0.4306 0.5713-0.0000 ( 12072 PWs) bands (ev): -13.9532 -13.9532 -13.9130 -13.9130 -13.8556 -13.8556 -13.7271 -13.7271 -12.2786 -12.2786 -12.2696 -12.2696 -12.1509 -12.1509 -12.0964 -12.0964 -6.1215 -6.1215 -6.0921 -6.0921 -6.0449 -6.0449 -6.0275 -6.0275 -5.8059 -5.8059 -5.7766 -5.7766 -5.7227 -5.7227 -5.7150 -5.7150 -5.6836 -5.6836 -5.6535 -5.6535 -3.5747 -3.5747 -3.5658 -3.5658 -2.2964 -2.2964 -2.1276 -2.1276 -1.9639 -1.9639 -1.8587 -1.8587 -1.7076 -1.7076 -1.6560 -1.6560 -1.4362 -1.4362 -1.1872 -1.1872 -1.0986 -1.0986 -1.0144 -1.0144 -0.9284 -0.9284 -0.8419 -0.8419 -0.7526 -0.7526 -0.5977 -0.5977 -0.5526 -0.5526 -0.5021 -0.5021 -0.4982 -0.4982 -0.3280 -0.3280 -0.3160 -0.3160 -0.2724 -0.2724 -0.2613 -0.2613 -0.2305 -0.2305 5.4526 5.4526 k = 0.4167 0.5529 0.0000 ( 12084 PWs) bands (ev): -13.9554 -13.9554 -13.9119 -13.9119 -13.8547 -13.8547 -13.7280 -13.7280 -12.2784 -12.2784 -12.2679 -12.2679 -12.1505 -12.1505 -12.0967 -12.0967 -6.1209 -6.1209 -6.0923 -6.0923 -6.0447 -6.0447 -6.0273 -6.0273 -5.8053 -5.8053 -5.7768 -5.7768 -5.7233 -5.7233 -5.7142 -5.7142 -5.6833 -5.6833 -5.6536 -5.6536 -3.5836 -3.5836 -3.5726 -3.5726 -2.2894 -2.2894 -2.1384 -2.1384 -1.9735 -1.9735 -1.8719 -1.8719 -1.7131 -1.7131 -1.6624 -1.6624 -1.4368 -1.4368 -1.1977 -1.1977 -1.1074 -1.1074 -1.0250 -1.0250 -0.9046 -0.9046 -0.8263 -0.8263 -0.7542 -0.7542 -0.5750 -0.5750 -0.5373 -0.5373 -0.5041 -0.5041 -0.4901 -0.4901 -0.3212 -0.3212 -0.3065 -0.3065 -0.2715 -0.2715 -0.2591 -0.2591 -0.2175 -0.2175 5.4268 5.4268 k = 0.4028 0.5345 0.0000 ( 12108 PWs) bands (ev): -13.9580 -13.9580 -13.9105 -13.9105 -13.8537 -13.8537 -13.7289 -13.7289 -12.2780 -12.2780 -12.2660 -12.2660 -12.1499 -12.1499 -12.0972 -12.0972 -6.1204 -6.1204 -6.0926 -6.0926 -6.0444 -6.0444 -6.0270 -6.0270 -5.8046 -5.8046 -5.7771 -5.7771 -5.7239 -5.7239 -5.7133 -5.7133 -5.6831 -5.6831 -5.6538 -5.6538 -3.5942 -3.5942 -3.5803 -3.5803 -2.2816 -2.2816 -2.1506 -2.1506 -1.9837 -1.9837 -1.8895 -1.8895 -1.7200 -1.7200 -1.6696 -1.6696 -1.4344 -1.4344 -1.2076 -1.2076 -1.1161 -1.1161 -1.0354 -1.0354 -0.8791 -0.8791 -0.8105 -0.8105 -0.7546 -0.7546 -0.5544 -0.5544 -0.5206 -0.5206 -0.5040 -0.5040 -0.4785 -0.4785 -0.3134 -0.3134 -0.2957 -0.2957 -0.2704 -0.2704 -0.2567 -0.2567 -0.2032 -0.2032 5.3973 5.3973 k = 0.3889 0.5160-0.0000 ( 12098 PWs) bands (ev): -13.9609 -13.9609 -13.9089 -13.9089 -13.8524 -13.8524 -13.7300 -13.7300 -12.2775 -12.2775 -12.2640 -12.2640 -12.1493 -12.1493 -12.0977 -12.0977 -6.1196 -6.1196 -6.0928 -6.0928 -6.0440 -6.0440 -6.0267 -6.0267 -5.8038 -5.8038 -5.7773 -5.7773 -5.7245 -5.7245 -5.7125 -5.7125 -5.6827 -5.6827 -5.6540 -5.6540 -3.6061 -3.6061 -3.5888 -3.5888 -2.2735 -2.2735 -2.1638 -2.1638 -1.9946 -1.9946 -1.9107 -1.9107 -1.7284 -1.7284 -1.6779 -1.6779 -1.4283 -1.4283 -1.2169 -1.2169 -1.1241 -1.1241 -1.0455 -1.0455 -0.8528 -0.8528 -0.7949 -0.7949 -0.7537 -0.7537 -0.5355 -0.5355 -0.5113 -0.5113 -0.4945 -0.4945 -0.4626 -0.4626 -0.3048 -0.3048 -0.2840 -0.2840 -0.2690 -0.2690 -0.2540 -0.2540 -0.1880 -0.1880 5.3643 5.3643 k = 0.3750 0.4976-0.0000 ( 12108 PWs) bands (ev): -13.9641 -13.9641 -13.9072 -13.9072 -13.8511 -13.8511 -13.7313 -13.7313 -12.2768 -12.2768 -12.2620 -12.2620 -12.1486 -12.1486 -12.0982 -12.0982 -6.1188 -6.1188 -6.0931 -6.0931 -6.0436 -6.0436 -6.0265 -6.0265 -5.8029 -5.8029 -5.7776 -5.7776 -5.7250 -5.7250 -5.7116 -5.7116 -5.6824 -5.6824 -5.6542 -5.6542 -3.6194 -3.6194 -3.5981 -3.5981 -2.2659 -2.2659 -2.1772 -2.1772 -2.0067 -2.0067 -1.9347 -1.9347 -1.7384 -1.7384 -1.6873 -1.6873 -1.4186 -1.4186 -1.2254 -1.2254 -1.1309 -1.1309 -1.0552 -1.0552 -0.8264 -0.8264 -0.7796 -0.7796 -0.7515 -0.7515 -0.5181 -0.5181 -0.5073 -0.5073 -0.4796 -0.4796 -0.4415 -0.4415 -0.2953 -0.2953 -0.2723 -0.2723 -0.2665 -0.2665 -0.2509 -0.2509 -0.1722 -0.1722 5.3278 5.3278 k = 0.3611 0.4792-0.0000 ( 12107 PWs) bands (ev): -13.9676 -13.9676 -13.9053 -13.9053 -13.8496 -13.8496 -13.7326 -13.7326 -12.2759 -12.2759 -12.2598 -12.2598 -12.1478 -12.1478 -12.0989 -12.0989 -6.1180 -6.1180 -6.0934 -6.0934 -6.0432 -6.0432 -6.0262 -6.0262 -5.8019 -5.8019 -5.7778 -5.7778 -5.7254 -5.7254 -5.7108 -5.7108 -5.6820 -5.6820 -5.6545 -5.6545 -3.6340 -3.6340 -3.6080 -3.6080 -2.2603 -2.2603 -2.1897 -2.1897 -2.0203 -2.0203 -1.9604 -1.9604 -1.7494 -1.7494 -1.6972 -1.6972 -1.4060 -1.4060 -1.2327 -1.2327 -1.1367 -1.1367 -1.0643 -1.0643 -0.8013 -0.8013 -0.7651 -0.7651 -0.7468 -0.7468 -0.5072 -0.5072 -0.4957 -0.4957 -0.4655 -0.4655 -0.4168 -0.4168 -0.2851 -0.2851 -0.2674 -0.2674 -0.2565 -0.2565 -0.2472 -0.2472 -0.1561 -0.1561 5.2880 5.2880 k = 0.3472 0.4607-0.0000 ( 12099 PWs) bands (ev): -13.9713 -13.9713 -13.9033 -13.9033 -13.8480 -13.8480 -13.7340 -13.7340 -12.2750 -12.2750 -12.2576 -12.2576 -12.1470 -12.1470 -12.0995 -12.0995 -6.1170 -6.1170 -6.0938 -6.0938 -6.0427 -6.0427 -6.0258 -6.0258 -5.8008 -5.8008 -5.7781 -5.7781 -5.7258 -5.7258 -5.7100 -5.7100 -5.6815 -5.6815 -5.6547 -5.6547 -3.6498 -3.6498 -3.6183 -3.6183 -2.2596 -2.2596 -2.1984 -2.1984 -2.0365 -2.0365 -1.9863 -1.9863 -1.7612 -1.7612 -1.7069 -1.7069 -1.3915 -1.3915 -1.2380 -1.2380 -1.1414 -1.1414 -1.0726 -1.0726 -0.7803 -0.7803 -0.7524 -0.7524 -0.7364 -0.7364 -0.5007 -0.5007 -0.4776 -0.4776 -0.4520 -0.4520 -0.3904 -0.3904 -0.2742 -0.2742 -0.2655 -0.2655 -0.2447 -0.2447 -0.2410 -0.2410 -0.1398 -0.1398 5.2450 5.2450 k = 0.3333 0.4423-0.0000 ( 12101 PWs) bands (ev): -13.9753 -13.9753 -13.9011 -13.9011 -13.8463 -13.8463 -13.7356 -13.7356 -12.2738 -12.2738 -12.2553 -12.2553 -12.1461 -12.1461 -12.1002 -12.1002 -6.1160 -6.1160 -6.0941 -6.0941 -6.0421 -6.0421 -6.0255 -6.0255 -5.7996 -5.7996 -5.7784 -5.7784 -5.7262 -5.7262 -5.7092 -5.7092 -5.6810 -5.6810 -5.6549 -5.6549 -3.6665 -3.6665 -3.6291 -3.6291 -2.2667 -2.2667 -2.2007 -2.2007 -2.0562 -2.0562 -2.0108 -2.0108 -1.7736 -1.7736 -1.7158 -1.7158 -1.3768 -1.3768 -1.2406 -1.2406 -1.1453 -1.1453 -1.0800 -1.0800 -0.7669 -0.7669 -0.7406 -0.7406 -0.7178 -0.7178 -0.4928 -0.4928 -0.4583 -0.4583 -0.4385 -0.4385 -0.3639 -0.3639 -0.2644 -0.2644 -0.2622 -0.2622 -0.2392 -0.2392 -0.2275 -0.2275 -0.1235 -0.1235 5.1991 5.1991 k = 0.3194 0.4239-0.0000 ( 12097 PWs) bands (ev): -13.9794 -13.9794 -13.8988 -13.8988 -13.8446 -13.8446 -13.7372 -13.7372 -12.2726 -12.2726 -12.2530 -12.2530 -12.1451 -12.1451 -12.1009 -12.1009 -6.1150 -6.1150 -6.0945 -6.0945 -6.0416 -6.0416 -6.0252 -6.0252 -5.7984 -5.7984 -5.7788 -5.7788 -5.7265 -5.7265 -5.7084 -5.7084 -5.6804 -5.6804 -5.6552 -5.6552 -3.6842 -3.6842 -3.6401 -3.6401 -2.2811 -2.2811 -2.1979 -2.1979 -2.0797 -2.0797 -2.0327 -2.0327 -1.7865 -1.7865 -1.7229 -1.7229 -1.3636 -1.3636 -1.2392 -1.2392 -1.1484 -1.1484 -1.0863 -1.0863 -0.7600 -0.7600 -0.7282 -0.7282 -0.6942 -0.6942 -0.4832 -0.4832 -0.4385 -0.4385 -0.4245 -0.4245 -0.3378 -0.3378 -0.2621 -0.2621 -0.2511 -0.2511 -0.2336 -0.2336 -0.2127 -0.2127 -0.1073 -0.1073 5.1505 5.1505 k = 0.3056 0.4055-0.0000 ( 12107 PWs) bands (ev): -13.9837 -13.9837 -13.8965 -13.8965 -13.8427 -13.8427 -13.7389 -13.7389 -12.2712 -12.2712 -12.2506 -12.2506 -12.1442 -12.1442 -12.1017 -12.1017 -6.1140 -6.1140 -6.0948 -6.0948 -6.0409 -6.0409 -6.0249 -6.0249 -5.7972 -5.7972 -5.7791 -5.7791 -5.7268 -5.7268 -5.7076 -5.7076 -5.6798 -5.6798 -5.6555 -5.6555 -3.7026 -3.7026 -3.6513 -3.6513 -2.3000 -2.3000 -2.1939 -2.1939 -2.1052 -2.1052 -2.0524 -2.0524 -1.7999 -1.7999 -1.7278 -1.7278 -1.3534 -1.3534 -1.2331 -1.2331 -1.1509 -1.1509 -1.0913 -1.0913 -0.7558 -0.7558 -0.7158 -0.7158 -0.6687 -0.6687 -0.4719 -0.4719 -0.4184 -0.4184 -0.4099 -0.4099 -0.3127 -0.3127 -0.2600 -0.2600 -0.2401 -0.2401 -0.2267 -0.2267 -0.1977 -0.1977 -0.0913 -0.0913 5.0995 5.0995 k = 0.2917 0.3870-0.0000 ( 12123 PWs) bands (ev): -13.9881 -13.9881 -13.8940 -13.8940 -13.8407 -13.8407 -13.7407 -13.7407 -12.2698 -12.2698 -12.2483 -12.2483 -12.1431 -12.1431 -12.1025 -12.1025 -6.1129 -6.1129 -6.0952 -6.0952 -6.0403 -6.0403 -6.0247 -6.0247 -5.7960 -5.7960 -5.7794 -5.7794 -5.7270 -5.7270 -5.7069 -5.7069 -5.6792 -5.6792 -5.6559 -5.6559 -3.7216 -3.7216 -3.6626 -3.6626 -2.3216 -2.3216 -2.1932 -2.1932 -2.1288 -2.1288 -2.0706 -2.0706 -1.8134 -1.8134 -1.7302 -1.7302 -1.3467 -1.3467 -1.2228 -1.2228 -1.1520 -1.1520 -1.0949 -1.0949 -0.7527 -0.7527 -0.7036 -0.7036 -0.6433 -0.6433 -0.4592 -0.4592 -0.3982 -0.3982 -0.3946 -0.3946 -0.2891 -0.2891 -0.2575 -0.2575 -0.2305 -0.2305 -0.2174 -0.2174 -0.1828 -0.1828 -0.0756 -0.0756 5.0464 5.0464 k = 0.2778 0.3686 0.0000 ( 12109 PWs) bands (ev): -13.9926 -13.9926 -13.8915 -13.8915 -13.8387 -13.8387 -13.7425 -13.7425 -12.2682 -12.2682 -12.2460 -12.2460 -12.1421 -12.1421 -12.1033 -12.1033 -6.1118 -6.1118 -6.0955 -6.0955 -6.0396 -6.0396 -6.0244 -6.0244 -5.7946 -5.7946 -5.7797 -5.7797 -5.7272 -5.7272 -5.7062 -5.7062 -5.6785 -5.6785 -5.6561 -5.6561 -3.7410 -3.7410 -3.6738 -3.6738 -2.3451 -2.3451 -2.2019 -2.2019 -2.1447 -2.1447 -2.0872 -2.0872 -1.8270 -1.8270 -1.7302 -1.7302 -1.3431 -1.3431 -1.2108 -1.2108 -1.1502 -1.1502 -1.0971 -1.0971 -0.7499 -0.7499 -0.6916 -0.6916 -0.6189 -0.6189 -0.4454 -0.4454 -0.3783 -0.3783 -0.3779 -0.3779 -0.2686 -0.2686 -0.2531 -0.2531 -0.2224 -0.2224 -0.2057 -0.2057 -0.1679 -0.1679 -0.0602 -0.0602 4.9914 4.9914 k = 0.2639 0.3502 0.0000 ( 12109 PWs) bands (ev): -13.9972 -13.9972 -13.8889 -13.8889 -13.8367 -13.8367 -13.7444 -13.7444 -12.2666 -12.2666 -12.2438 -12.2438 -12.1410 -12.1410 -12.1042 -12.1042 -6.1107 -6.1107 -6.0959 -6.0959 -6.0389 -6.0389 -6.0241 -6.0241 -5.7933 -5.7933 -5.7800 -5.7800 -5.7273 -5.7273 -5.7055 -5.7055 -5.6778 -5.6778 -5.6564 -5.6564 -3.7608 -3.7608 -3.6849 -3.6849 -2.3701 -2.3701 -2.2216 -2.2216 -2.1525 -2.1525 -2.1009 -2.1009 -1.8404 -1.8404 -1.7279 -1.7279 -1.3413 -1.3413 -1.2011 -1.2011 -1.1427 -1.1427 -1.0980 -1.0980 -0.7474 -0.7474 -0.6794 -0.6794 -0.5962 -0.5962 -0.4310 -0.4310 -0.3607 -0.3607 -0.3581 -0.3581 -0.2581 -0.2581 -0.2402 -0.2402 -0.2147 -0.2147 -0.1925 -0.1925 -0.1532 -0.1532 -0.0453 -0.0453 4.9350 4.9350 k = 0.2500 0.3317 0.0000 ( 12111 PWs) bands (ev): -14.0017 -14.0017 -13.8863 -13.8863 -13.8346 -13.8346 -13.7463 -13.7463 -12.2649 -12.2649 -12.2415 -12.2415 -12.1400 -12.1400 -12.1050 -12.1050 -6.1096 -6.1096 -6.0962 -6.0962 -6.0382 -6.0382 -6.0239 -6.0239 -5.7921 -5.7921 -5.7802 -5.7802 -5.7274 -5.7274 -5.7049 -5.7049 -5.6771 -5.6771 -5.6567 -5.6567 -3.7806 -3.7806 -3.6958 -3.6958 -2.3962 -2.3962 -2.2464 -2.2464 -2.1606 -2.1606 -2.1092 -2.1092 -1.8533 -1.8533 -1.7236 -1.7236 -1.3405 -1.3405 -1.1963 -1.1963 -1.1280 -1.1280 -1.0978 -1.0978 -0.7450 -0.7450 -0.6671 -0.6671 -0.5757 -0.5757 -0.4164 -0.4164 -0.3417 -0.3417 -0.3387 -0.3387 -0.2543 -0.2543 -0.2225 -0.2225 -0.2066 -0.2066 -0.1785 -0.1785 -0.1388 -0.1388 -0.0308 -0.0308 4.8774 4.8774 k = 0.2361 0.3133-0.0000 ( 12115 PWs) bands (ev): -14.0063 -14.0063 -13.8837 -13.8837 -13.8325 -13.8325 -13.7482 -13.7482 -12.2632 -12.2632 -12.2394 -12.2394 -12.1389 -12.1389 -12.1059 -12.1059 -6.1086 -6.1086 -6.0965 -6.0965 -6.0375 -6.0375 -6.0237 -6.0237 -5.7909 -5.7909 -5.7804 -5.7804 -5.7274 -5.7274 -5.7043 -5.7043 -5.6763 -5.6763 -5.6570 -5.6570 -3.8005 -3.8005 -3.7064 -3.7064 -2.4233 -2.4233 -2.2722 -2.2722 -2.1733 -2.1733 -2.1113 -2.1113 -1.8657 -1.8657 -1.7177 -1.7177 -1.3401 -1.3401 -1.1950 -1.1950 -1.1084 -1.1084 -1.0963 -1.0963 -0.7427 -0.7427 -0.6546 -0.6546 -0.5577 -0.5577 -0.4019 -0.4019 -0.3212 -0.3212 -0.3198 -0.3198 -0.2513 -0.2513 -0.2067 -0.2067 -0.1967 -0.1967 -0.1640 -0.1640 -0.1248 -0.1248 -0.0169 -0.0169 4.8191 4.8191 k = 0.2222 0.2949-0.0000 ( 12121 PWs) bands (ev): -14.0108 -14.0108 -13.8812 -13.8812 -13.8303 -13.8303 -13.7501 -13.7501 -12.2615 -12.2615 -12.2373 -12.2373 -12.1378 -12.1378 -12.1067 -12.1067 -6.1076 -6.1076 -6.0967 -6.0967 -6.0367 -6.0367 -6.0236 -6.0236 -5.7898 -5.7898 -5.7805 -5.7805 -5.7274 -5.7274 -5.7038 -5.7038 -5.6755 -5.6755 -5.6574 -5.6574 -3.8201 -3.8201 -3.7166 -3.7166 -2.4510 -2.4510 -2.2974 -2.2974 -2.1895 -2.1895 -2.1099 -2.1099 -1.8773 -1.8773 -1.7105 -1.7105 -1.3398 -1.3398 -1.1947 -1.1947 -1.0959 -1.0959 -1.0844 -1.0844 -0.7405 -0.7405 -0.6419 -0.6419 -0.5422 -0.5422 -0.3882 -0.3882 -0.3023 -0.3023 -0.2991 -0.2991 -0.2480 -0.2480 -0.1951 -0.1951 -0.1835 -0.1835 -0.1492 -0.1492 -0.1112 -0.1112 -0.0035 -0.0035 4.7604 4.7604 k = 0.2083 0.2764-0.0000 ( 12131 PWs) bands (ev): -14.0152 -14.0152 -13.8786 -13.8786 -13.8282 -13.8282 -13.7520 -13.7520 -12.2597 -12.2597 -12.2354 -12.2354 -12.1367 -12.1367 -12.1076 -12.1076 -6.1067 -6.1067 -6.0969 -6.0969 -6.0360 -6.0360 -6.0235 -6.0235 -5.7889 -5.7889 -5.7804 -5.7804 -5.7273 -5.7273 -5.7033 -5.7033 -5.6748 -5.6748 -5.6578 -5.6578 -3.8395 -3.8395 -3.7265 -3.7265 -2.4789 -2.4789 -2.3214 -2.3214 -2.2071 -2.2071 -2.1075 -2.1075 -1.8881 -1.8881 -1.7024 -1.7024 -1.3397 -1.3397 -1.1941 -1.1941 -1.0933 -1.0933 -1.0612 -1.0612 -0.7383 -0.7383 -0.6290 -0.6290 -0.5294 -0.5294 -0.3753 -0.3753 -0.2862 -0.2862 -0.2759 -0.2759 -0.2438 -0.2438 -0.1855 -0.1855 -0.1694 -0.1694 -0.1344 -0.1344 -0.0979 -0.0979 0.0093 0.0093 4.7019 4.7019 k = 0.1944 0.2580-0.0000 ( 12143 PWs) bands (ev): -14.0194 -14.0194 -13.8761 -13.8761 -13.8261 -13.8261 -13.7539 -13.7539 -12.2580 -12.2580 -12.2335 -12.2335 -12.1356 -12.1356 -12.1084 -12.1084 -6.1059 -6.1059 -6.0969 -6.0969 -6.0352 -6.0352 -6.0234 -6.0234 -5.7883 -5.7883 -5.7800 -5.7800 -5.7272 -5.7272 -5.7028 -5.7028 -5.6739 -5.6739 -5.6581 -5.6581 -3.8584 -3.8584 -3.7358 -3.7358 -2.5068 -2.5068 -2.3440 -2.3440 -2.2250 -2.2250 -2.1051 -2.1051 -1.8979 -1.8979 -1.6936 -1.6936 -1.3399 -1.3399 -1.1922 -1.1922 -1.0907 -1.0907 -1.0375 -1.0375 -0.7362 -0.7362 -0.6160 -0.6160 -0.5190 -0.5190 -0.3635 -0.3635 -0.2728 -0.2728 -0.2522 -0.2522 -0.2378 -0.2378 -0.1761 -0.1761 -0.1560 -0.1560 -0.1197 -0.1197 -0.0848 -0.0848 0.0215 0.0215 4.6439 4.6439 k = 0.1806 0.2396-0.0000 ( 12157 PWs) bands (ev): -14.0236 -14.0236 -13.8737 -13.8737 -13.8241 -13.8241 -13.7557 -13.7557 -12.2563 -12.2563 -12.2317 -12.2317 -12.1346 -12.1346 -12.1093 -12.1093 -6.1053 -6.1053 -6.0968 -6.0968 -6.0345 -6.0345 -6.0234 -6.0234 -5.7878 -5.7878 -5.7796 -5.7796 -5.7271 -5.7271 -5.7024 -5.7024 -5.6732 -5.6732 -5.6584 -5.6584 -3.8766 -3.8766 -3.7447 -3.7447 -2.5342 -2.5342 -2.3651 -2.3651 -2.2428 -2.2428 -2.1033 -2.1033 -1.9067 -1.9067 -1.6844 -1.6844 -1.3406 -1.3406 -1.1885 -1.1885 -1.0879 -1.0879 -1.0142 -1.0142 -0.7343 -0.7343 -0.6030 -0.6030 -0.5107 -0.5107 -0.3528 -0.3528 -0.2631 -0.2631 -0.2293 -0.2293 -0.2282 -0.2282 -0.1664 -0.1664 -0.1435 -0.1435 -0.1057 -0.1057 -0.0719 -0.0719 0.0330 0.0330 4.5869 4.5869 k = 0.1667 0.2212 0.0000 ( 12153 PWs) bands (ev): -14.0275 -14.0275 -13.8714 -13.8714 -13.8221 -13.8221 -13.7576 -13.7576 -12.2546 -12.2546 -12.2301 -12.2301 -12.1336 -12.1336 -12.1101 -12.1101 -6.1048 -6.1048 -6.0966 -6.0966 -6.0337 -6.0337 -6.0233 -6.0233 -5.7876 -5.7876 -5.7789 -5.7789 -5.7269 -5.7269 -5.7021 -5.7021 -5.6723 -5.6723 -5.6588 -5.6588 -3.8941 -3.8941 -3.7530 -3.7530 -2.5607 -2.5607 -2.3846 -2.3846 -2.2599 -2.2599 -2.1022 -2.1022 -1.9146 -1.9146 -1.6749 -1.6749 -1.3418 -1.3418 -1.1830 -1.1830 -1.0851 -1.0851 -0.9916 -0.9916 -0.7324 -0.7324 -0.5901 -0.5901 -0.5044 -0.5044 -0.3433 -0.3433 -0.2570 -0.2570 -0.2175 -0.2175 -0.2061 -0.2061 -0.1563 -0.1563 -0.1321 -0.1321 -0.0924 -0.0924 -0.0586 -0.0586 0.0439 0.0439 4.5314 4.5314 k = 0.1528 0.2027-0.0000 ( 12121 PWs) bands (ev): -14.0312 -14.0312 -13.8692 -13.8692 -13.8201 -13.8201 -13.7593 -13.7593 -12.2530 -12.2530 -12.2286 -12.2286 -12.1326 -12.1326 -12.1109 -12.1109 -6.1044 -6.1044 -6.0962 -6.0962 -6.0329 -6.0329 -6.0233 -6.0233 -5.7875 -5.7875 -5.7780 -5.7780 -5.7267 -5.7267 -5.7017 -5.7017 -5.6715 -5.6715 -5.6590 -5.6590 -3.9107 -3.9107 -3.7608 -3.7608 -2.5861 -2.5861 -2.4027 -2.4027 -2.2762 -2.2762 -2.1020 -2.1020 -1.9215 -1.9215 -1.6655 -1.6655 -1.3436 -1.3436 -1.1757 -1.1757 -1.0823 -1.0823 -0.9700 -0.9700 -0.7306 -0.7306 -0.5775 -0.5775 -0.4998 -0.4998 -0.3348 -0.3348 -0.2530 -0.2530 -0.2049 -0.2049 -0.1857 -0.1857 -0.1456 -0.1456 -0.1217 -0.1217 -0.0804 -0.0804 -0.0447 -0.0447 0.0542 0.0542 4.4779 4.4779 k = 0.1389 0.1843 0.0000 ( 12121 PWs) bands (ev): -14.0347 -14.0347 -13.8671 -13.8671 -13.8182 -13.8182 -13.7610 -13.7610 -12.2515 -12.2515 -12.2272 -12.2272 -12.1317 -12.1317 -12.1116 -12.1116 -6.1041 -6.1041 -6.0958 -6.0958 -6.0322 -6.0322 -6.0234 -6.0234 -5.7875 -5.7875 -5.7771 -5.7771 -5.7264 -5.7264 -5.7014 -5.7014 -5.6708 -5.6708 -5.6593 -5.6593 -3.9263 -3.9263 -3.7679 -3.7679 -2.6101 -2.6101 -2.4192 -2.4192 -2.2916 -2.2916 -2.1025 -2.1025 -1.9275 -1.9275 -1.6562 -1.6562 -1.3458 -1.3458 -1.1669 -1.1669 -1.0795 -1.0795 -0.9498 -0.9498 -0.7290 -0.7290 -0.5652 -0.5652 -0.4966 -0.4966 -0.3273 -0.3273 -0.2503 -0.2503 -0.1923 -0.1923 -0.1682 -0.1682 -0.1342 -0.1342 -0.1122 -0.1122 -0.0698 -0.0698 -0.0300 -0.0300 0.0638 0.0638 4.4269 4.4269 k = 0.1250 0.1659 0.0000 ( 12123 PWs) bands (ev): -14.0380 -14.0380 -13.8651 -13.8651 -13.8165 -13.8165 -13.7626 -13.7626 -12.2500 -12.2500 -12.2259 -12.2259 -12.1308 -12.1308 -12.1124 -12.1124 -6.1040 -6.1040 -6.0953 -6.0953 -6.0315 -6.0315 -6.0234 -6.0234 -5.7876 -5.7876 -5.7762 -5.7762 -5.7262 -5.7262 -5.7012 -5.7012 -5.6700 -5.6700 -5.6597 -5.6597 -3.9407 -3.9407 -3.7744 -3.7744 -2.6324 -2.6324 -2.4342 -2.4342 -2.3058 -2.3058 -2.1035 -2.1035 -1.9327 -1.9327 -1.6472 -1.6472 -1.3482 -1.3482 -1.1570 -1.1570 -1.0769 -1.0769 -0.9309 -0.9309 -0.7275 -0.7275 -0.5536 -0.5536 -0.4945 -0.4945 -0.3208 -0.3208 -0.2481 -0.2481 -0.1802 -0.1802 -0.1539 -0.1539 -0.1222 -0.1222 -0.1038 -0.1038 -0.0607 -0.0607 -0.0145 -0.0145 0.0728 0.0728 4.3789 4.3789 k = 0.1111 0.1474-0.0000 ( 12129 PWs) bands (ev): -14.0409 -14.0409 -13.8634 -13.8634 -13.8148 -13.8148 -13.7641 -13.7641 -12.2486 -12.2486 -12.2248 -12.2248 -12.1299 -12.1299 -12.1131 -12.1131 -6.1040 -6.1040 -6.0947 -6.0947 -6.0308 -6.0308 -6.0235 -6.0235 -5.7878 -5.7878 -5.7753 -5.7753 -5.7260 -5.7260 -5.7010 -5.7010 -5.6693 -5.6693 -5.6600 -5.6600 -3.9539 -3.9539 -3.7803 -3.7803 -2.6529 -2.6529 -2.4477 -2.4477 -2.3187 -2.3187 -2.1051 -2.1051 -1.9371 -1.9371 -1.6387 -1.6387 -1.3508 -1.3508 -1.1464 -1.1464 -1.0746 -1.0746 -0.9137 -0.9137 -0.7262 -0.7262 -0.5426 -0.5426 -0.4934 -0.4934 -0.3152 -0.3152 -0.2464 -0.2464 -0.1690 -0.1690 -0.1424 -0.1424 -0.1105 -0.1105 -0.0964 -0.0964 -0.0530 -0.0530 0.0015 0.0015 0.0812 0.0812 4.3343 4.3343 k = 0.0972 0.1290-0.0000 ( 12125 PWs) bands (ev): -14.0436 -14.0436 -13.8617 -13.8617 -13.8132 -13.8132 -13.7655 -13.7655 -12.2474 -12.2474 -12.2238 -12.2238 -12.1291 -12.1291 -12.1137 -12.1137 -6.1040 -6.1040 -6.0942 -6.0942 -6.0302 -6.0302 -6.0237 -6.0237 -5.7879 -5.7879 -5.7745 -5.7745 -5.7258 -5.7258 -5.7008 -5.7008 -5.6686 -5.6686 -5.6603 -5.6603 -3.9659 -3.9659 -3.7855 -3.7855 -2.6714 -2.6714 -2.4596 -2.4596 -2.3303 -2.3303 -2.1069 -2.1069 -1.9409 -1.9409 -1.6308 -1.6308 -1.3534 -1.3534 -1.1357 -1.1357 -1.0725 -1.0725 -0.8982 -0.8982 -0.7250 -0.7250 -0.5325 -0.5325 -0.4931 -0.4931 -0.3104 -0.3104 -0.2450 -0.2450 -0.1588 -0.1588 -0.1331 -0.1331 -0.0998 -0.0998 -0.0899 -0.0899 -0.0465 -0.0465 0.0171 0.0171 0.0890 0.0890 4.2937 4.2937 k = 0.0833 0.1106 0.0000 ( 12129 PWs) bands (ev): -14.0459 -14.0459 -13.8603 -13.8603 -13.8118 -13.8118 -13.7668 -13.7668 -12.2463 -12.2463 -12.2230 -12.2230 -12.1284 -12.1284 -12.1143 -12.1143 -6.1041 -6.1041 -6.0937 -6.0937 -6.0296 -6.0296 -6.0239 -6.0239 -5.7881 -5.7881 -5.7738 -5.7738 -5.7255 -5.7255 -5.7007 -5.7007 -5.6679 -5.6679 -5.6606 -5.6606 -3.9764 -3.9764 -3.7900 -3.7900 -2.6876 -2.6876 -2.4700 -2.4700 -2.3405 -2.3405 -2.1088 -2.1088 -1.9440 -1.9440 -1.6236 -1.6236 -1.3558 -1.3558 -1.1253 -1.1253 -1.0707 -1.0707 -0.8844 -0.8844 -0.7239 -0.7239 -0.5235 -0.5235 -0.4932 -0.4932 -0.3063 -0.3063 -0.2438 -0.2438 -0.1498 -0.1498 -0.1255 -0.1255 -0.0904 -0.0904 -0.0844 -0.0844 -0.0410 -0.0410 0.0319 0.0319 0.0963 0.0963 4.2575 4.2575 k = 0.0694 0.0921 0.0000 ( 12129 PWs) bands (ev): -14.0480 -14.0480 -13.8591 -13.8591 -13.8106 -13.8106 -13.7680 -13.7680 -12.2453 -12.2453 -12.2222 -12.2222 -12.1278 -12.1278 -12.1148 -12.1148 -6.1041 -6.1041 -6.0933 -6.0933 -6.0290 -6.0290 -6.0240 -6.0240 -5.7882 -5.7882 -5.7732 -5.7732 -5.7253 -5.7253 -5.7005 -5.7005 -5.6673 -5.6673 -5.6609 -5.6609 -3.9854 -3.9854 -3.7938 -3.7938 -2.7016 -2.7016 -2.4789 -2.4789 -2.3493 -2.3493 -2.1107 -2.1107 -1.9466 -1.9466 -1.6173 -1.6173 -1.3579 -1.3579 -1.1156 -1.1156 -1.0693 -1.0693 -0.8727 -0.8727 -0.7231 -0.7231 -0.5155 -0.5155 -0.4937 -0.4937 -0.3030 -0.3030 -0.2428 -0.2428 -0.1420 -0.1420 -0.1191 -0.1191 -0.0827 -0.0827 -0.0799 -0.0799 -0.0366 -0.0366 0.0449 0.0449 0.1031 0.1031 4.2260 4.2260 k = 0.0556 0.0737-0.0000 ( 12145 PWs) bands (ev): -14.0496 -14.0496 -13.8581 -13.8581 -13.8095 -13.8095 -13.7689 -13.7689 -12.2445 -12.2445 -12.2217 -12.2217 -12.1272 -12.1272 -12.1153 -12.1153 -6.1042 -6.1042 -6.0929 -6.0929 -6.0285 -6.0285 -6.0243 -6.0243 -5.7884 -5.7884 -5.7727 -5.7727 -5.7252 -5.7252 -5.7005 -5.7005 -5.6668 -5.6668 -5.6612 -5.6612 -3.9928 -3.9928 -3.7969 -3.7969 -2.7131 -2.7131 -2.4862 -2.4862 -2.3565 -2.3565 -2.1124 -2.1124 -1.9487 -1.9487 -1.6121 -1.6121 -1.3596 -1.3596 -1.1069 -1.1069 -1.0684 -1.0684 -0.8629 -0.8629 -0.7224 -0.7224 -0.5089 -0.5089 -0.4943 -0.4943 -0.3003 -0.3003 -0.2421 -0.2421 -0.1355 -0.1355 -0.1140 -0.1140 -0.0765 -0.0765 -0.0763 -0.0763 -0.0330 -0.0330 0.0558 0.0558 0.1093 0.1093 4.1998 4.1998 k = 0.0417 0.0553-0.0000 ( 12159 PWs) bands (ev): -14.0509 -14.0509 -13.8573 -13.8573 -13.8087 -13.8087 -13.7697 -13.7697 -12.2439 -12.2439 -12.2212 -12.2212 -12.1267 -12.1267 -12.1157 -12.1157 -6.1043 -6.1043 -6.0926 -6.0926 -6.0281 -6.0281 -6.0245 -6.0245 -5.7886 -5.7886 -5.7723 -5.7723 -5.7251 -5.7251 -5.7004 -5.7004 -5.6664 -5.6664 -5.6615 -5.6615 -3.9987 -3.9987 -3.7994 -3.7994 -2.7222 -2.7222 -2.4918 -2.4918 -2.3621 -2.3621 -2.1138 -2.1138 -1.9503 -1.9503 -1.6078 -1.6078 -1.3610 -1.3610 -1.0996 -1.0996 -1.0679 -1.0679 -0.8552 -0.8552 -0.7218 -0.7218 -0.5037 -0.5037 -0.4949 -0.4949 -0.2982 -0.2982 -0.2415 -0.2415 -0.1304 -0.1304 -0.1101 -0.1101 -0.0735 -0.0735 -0.0718 -0.0718 -0.0303 -0.0303 0.0642 0.0642 0.1147 0.1147 4.1790 4.1790 k = 0.0278 0.0369-0.0000 ( 12139 PWs) bands (ev): -14.0519 -14.0519 -13.8567 -13.8567 -13.8081 -13.8081 -13.7703 -13.7703 -12.2434 -12.2434 -12.2209 -12.2209 -12.1264 -12.1264 -12.1160 -12.1160 -6.1043 -6.1043 -6.0923 -6.0923 -6.0277 -6.0277 -6.0246 -6.0246 -5.7886 -5.7886 -5.7719 -5.7719 -5.7249 -5.7249 -5.7003 -5.7003 -5.6660 -5.6660 -5.6617 -5.6617 -4.0029 -4.0029 -3.8011 -3.8011 -2.7287 -2.7287 -2.4959 -2.4959 -2.3662 -2.3662 -2.1149 -2.1149 -1.9514 -1.9514 -1.6048 -1.6048 -1.3620 -1.3620 -1.0939 -1.0939 -1.0677 -1.0677 -0.8497 -0.8497 -0.7214 -0.7214 -0.5001 -0.5001 -0.4952 -0.4952 -0.2968 -0.2968 -0.2410 -0.2410 -0.1267 -0.1267 -0.1073 -0.1073 -0.0716 -0.0716 -0.0686 -0.0686 -0.0283 -0.0283 0.0701 0.0701 0.1189 0.1189 4.1639 4.1639 k = 0.0139 0.0184-0.0000 ( 12127 PWs) bands (ev): -14.0524 -14.0524 -13.8564 -13.8564 -13.8077 -13.8077 -13.7706 -13.7706 -12.2432 -12.2432 -12.2207 -12.2207 -12.1262 -12.1262 -12.1161 -12.1161 -6.1044 -6.1044 -6.0922 -6.0922 -6.0275 -6.0275 -6.0247 -6.0247 -5.7887 -5.7887 -5.7717 -5.7717 -5.7249 -5.7249 -5.7003 -5.7003 -5.6657 -5.6657 -5.6618 -5.6618 -4.0054 -4.0054 -3.8022 -3.8022 -2.7326 -2.7326 -2.4984 -2.4984 -2.3686 -2.3686 -2.1155 -2.1155 -1.9521 -1.9521 -1.6029 -1.6029 -1.3626 -1.3626 -1.0903 -1.0903 -1.0677 -1.0677 -0.8463 -0.8463 -0.7212 -0.7212 -0.4984 -0.4984 -0.4950 -0.4950 -0.2959 -0.2959 -0.2408 -0.2408 -0.1245 -0.1245 -0.1056 -0.1056 -0.0705 -0.0705 -0.0666 -0.0666 -0.0271 -0.0271 0.0736 0.0736 0.1216 0.1216 4.1548 4.1548 k = 0.0000 0.0000 0.0000 ( 12123 PWs) bands (ev): -14.0526 -14.0526 -13.8563 -13.8563 -13.8076 -13.8076 -13.7707 -13.7707 -12.2431 -12.2431 -12.2206 -12.2206 -12.1261 -12.1261 -12.1162 -12.1162 -6.1044 -6.1044 -6.0921 -6.0921 -6.0274 -6.0274 -6.0248 -6.0248 -5.7887 -5.7887 -5.7716 -5.7716 -5.7248 -5.7248 -5.7003 -5.7003 -5.6656 -5.6656 -5.6618 -5.6618 -4.0063 -4.0063 -3.8025 -3.8025 -2.7339 -2.7339 -2.4992 -2.4992 -2.3694 -2.3694 -2.1158 -2.1158 -1.9523 -1.9523 -1.6023 -1.6023 -1.3628 -1.3628 -1.0891 -1.0891 -1.0678 -1.0678 -0.8452 -0.8452 -0.7211 -0.7211 -0.4980 -0.4980 -0.4947 -0.4947 -0.2956 -0.2956 -0.2407 -0.2407 -0.1237 -0.1237 -0.1050 -0.1050 -0.0701 -0.0701 -0.0660 -0.0660 -0.0268 -0.0268 0.0747 0.0747 0.1225 0.1225 4.1518 4.1518 k = 0.0000 0.0000 0.0000 ( 12123 PWs) bands (ev): -14.0526 -14.0526 -13.8563 -13.8563 -13.8076 -13.8076 -13.7707 -13.7707 -12.2431 -12.2431 -12.2206 -12.2206 -12.1261 -12.1261 -12.1162 -12.1162 -6.1044 -6.1044 -6.0921 -6.0921 -6.0274 -6.0274 -6.0248 -6.0248 -5.7887 -5.7887 -5.7716 -5.7716 -5.7248 -5.7248 -5.7003 -5.7003 -5.6656 -5.6656 -5.6618 -5.6618 -4.0063 -4.0063 -3.8025 -3.8025 -2.7339 -2.7339 -2.4992 -2.4992 -2.3694 -2.3694 -2.1158 -2.1158 -1.9523 -1.9523 -1.6023 -1.6023 -1.3628 -1.3628 -1.0891 -1.0891 -1.0678 -1.0678 -0.8452 -0.8452 -0.7211 -0.7211 -0.4980 -0.4980 -0.4947 -0.4947 -0.2956 -0.2956 -0.2407 -0.2407 -0.1237 -0.1237 -0.1050 -0.1050 -0.0701 -0.0701 -0.0660 -0.0660 -0.0268 -0.0268 0.0747 0.0747 0.1225 0.1225 4.1518 4.1518 k = 0.0133-0.0100 0.0160 ( 12123 PWs) bands (ev): -14.0524 -14.0524 -13.8563 -13.8563 -13.8077 -13.8077 -13.7707 -13.7707 -12.2431 -12.2431 -12.2207 -12.2207 -12.1261 -12.1261 -12.1163 -12.1163 -6.1043 -6.1043 -6.0922 -6.0922 -6.0274 -6.0274 -6.0248 -6.0248 -5.7886 -5.7886 -5.7717 -5.7717 -5.7248 -5.7248 -5.7003 -5.7003 -5.6657 -5.6657 -5.6618 -5.6618 -4.0053 -4.0053 -3.8017 -3.8017 -2.7332 -2.7332 -2.4986 -2.4986 -2.3691 -2.3691 -2.1153 -2.1153 -1.9524 -1.9524 -1.6019 -1.6019 -1.3624 -1.3624 -1.0912 -1.0912 -1.0694 -1.0694 -0.8444 -0.8444 -0.7214 -0.7214 -0.4988 -0.4988 -0.4946 -0.4946 -0.2960 -0.2960 -0.2414 -0.2414 -0.1247 -0.1247 -0.1050 -0.1050 -0.0709 -0.0709 -0.0666 -0.0666 -0.0272 -0.0272 0.0737 0.0737 0.1221 0.1221 4.1553 4.1553 k = 0.0265-0.0200 0.0321 ( 12123 PWs) bands (ev): -14.0517 -14.0517 -13.8563 -13.8563 -13.8081 -13.8081 -13.7708 -13.7708 -12.2433 -12.2433 -12.2210 -12.2210 -12.1259 -12.1259 -12.1164 -12.1164 -6.1043 -6.1043 -6.0924 -6.0924 -6.0274 -6.0274 -6.0248 -6.0248 -5.7886 -5.7886 -5.7720 -5.7720 -5.7248 -5.7248 -5.7003 -5.7003 -5.6658 -5.6658 -5.6618 -5.6618 -4.0022 -4.0022 -3.7991 -3.7991 -2.7309 -2.7309 -2.4969 -2.4969 -2.3679 -2.3679 -2.1138 -2.1138 -1.9527 -1.9527 -1.6006 -1.6006 -1.3610 -1.3610 -1.0983 -1.0983 -1.0731 -1.0731 -0.8423 -0.8423 -0.7222 -0.7222 -0.5013 -0.5013 -0.4944 -0.4944 -0.2970 -0.2970 -0.2433 -0.2433 -0.1275 -0.1275 -0.1051 -0.1051 -0.0734 -0.0734 -0.0683 -0.0683 -0.0287 -0.0287 0.0706 0.0706 0.1207 0.1207 4.1660 4.1660 k = 0.0398-0.0300 0.0481 ( 12111 PWs) bands (ev): -14.0506 -14.0506 -13.8564 -13.8564 -13.8089 -13.8089 -13.7708 -13.7708 -12.2436 -12.2436 -12.2213 -12.2213 -12.1257 -12.1257 -12.1168 -12.1168 -6.1043 -6.1043 -6.0928 -6.0928 -6.0273 -6.0273 -6.0249 -6.0249 -5.7886 -5.7886 -5.7724 -5.7724 -5.7247 -5.7247 -5.7004 -5.7004 -5.6660 -5.6660 -5.6616 -5.6616 -3.9971 -3.9971 -3.7949 -3.7949 -2.7271 -2.7271 -2.4940 -2.4940 -2.3661 -2.3661 -2.1113 -2.1113 -1.9531 -1.9531 -1.5985 -1.5985 -1.3586 -1.3586 -1.1112 -1.1112 -1.0776 -1.0776 -0.8393 -0.8393 -0.7236 -0.7236 -0.5054 -0.5054 -0.4941 -0.4941 -0.2987 -0.2987 -0.2465 -0.2465 -0.1319 -0.1319 -0.1056 -0.1056 -0.0780 -0.0780 -0.0709 -0.0709 -0.0311 -0.0311 0.0657 0.0657 0.1185 0.1185 4.1836 4.1836 k = 0.0531-0.0400 0.0642 ( 12111 PWs) bands (ev): -14.0491 -14.0491 -13.8566 -13.8566 -13.8099 -13.8099 -13.7709 -13.7709 -12.2440 -12.2440 -12.2219 -12.2219 -12.1253 -12.1253 -12.1172 -12.1172 -6.1043 -6.1043 -6.0933 -6.0933 -6.0273 -6.0273 -6.0251 -6.0251 -5.7886 -5.7886 -5.7730 -5.7730 -5.7246 -5.7246 -5.7006 -5.7006 -5.6662 -5.6662 -5.6615 -5.6615 -3.9900 -3.9900 -3.7890 -3.7890 -2.7218 -2.7218 -2.4901 -2.4901 -2.3636 -2.3636 -2.1078 -2.1078 -1.9536 -1.9536 -1.5956 -1.5956 -1.3554 -1.3554 -1.1297 -1.1297 -1.0822 -1.0822 -0.8361 -0.8361 -0.7254 -0.7254 -0.5111 -0.5111 -0.4936 -0.4936 -0.3012 -0.3012 -0.2510 -0.2510 -0.1375 -0.1375 -0.1067 -0.1067 -0.0848 -0.0848 -0.0743 -0.0743 -0.0345 -0.0345 0.0592 0.0592 0.1154 0.1154 4.2079 4.2079 k = 0.0664-0.0500 0.0802 ( 12110 PWs) bands (ev): -14.0471 -14.0471 -13.8568 -13.8568 -13.8112 -13.8112 -13.7709 -13.7709 -12.2446 -12.2446 -12.2226 -12.2226 -12.1248 -12.1248 -12.1177 -12.1177 -6.1043 -6.1043 -6.0939 -6.0939 -6.0272 -6.0272 -6.0253 -6.0253 -5.7886 -5.7886 -5.7737 -5.7737 -5.7244 -5.7244 -5.7008 -5.7008 -5.6665 -5.6665 -5.6613 -5.6613 -3.9810 -3.9810 -3.7816 -3.7816 -2.7150 -2.7150 -2.4851 -2.4851 -2.3606 -2.3606 -2.1033 -2.1033 -1.9539 -1.9539 -1.5917 -1.5917 -1.3513 -1.3513 -1.1528 -1.1528 -1.0873 -1.0873 -0.8331 -0.8331 -0.7277 -0.7277 -0.5184 -0.5184 -0.4930 -0.4930 -0.3045 -0.3045 -0.2568 -0.2568 -0.1441 -0.1441 -0.1086 -0.1086 -0.0939 -0.0939 -0.0786 -0.0786 -0.0387 -0.0387 0.0515 0.0515 0.1114 0.1114 4.2386 4.2386 k = 0.0796-0.0600 0.0963 ( 12108 PWs) bands (ev): -14.0448 -14.0448 -13.8572 -13.8572 -13.8127 -13.8127 -13.7709 -13.7709 -12.2452 -12.2452 -12.2234 -12.2234 -12.1243 -12.1243 -12.1184 -12.1184 -6.1043 -6.1043 -6.0946 -6.0946 -6.0271 -6.0271 -6.0256 -6.0256 -5.7886 -5.7886 -5.7746 -5.7746 -5.7242 -5.7242 -5.7010 -5.7010 -5.6669 -5.6669 -5.6611 -5.6611 -3.9702 -3.9702 -3.7728 -3.7728 -2.7066 -2.7066 -2.4792 -2.4792 -2.3573 -2.3573 -2.0976 -2.0976 -1.9540 -1.9540 -1.5868 -1.5868 -1.3463 -1.3463 -1.1796 -1.1796 -1.0929 -1.0929 -0.8309 -0.8309 -0.7305 -0.7305 -0.5272 -0.5272 -0.4924 -0.4924 -0.3087 -0.3087 -0.2636 -0.2636 -0.1516 -0.1516 -0.1119 -0.1119 -0.1049 -0.1049 -0.0838 -0.0838 -0.0437 -0.0437 0.0430 0.0430 0.1066 0.1066 4.2753 4.2753 k = 0.0929-0.0700 0.1123 ( 12114 PWs) bands (ev): -14.0421 -14.0421 -13.8576 -13.8576 -13.8145 -13.8145 -13.7708 -13.7708 -12.2459 -12.2459 -12.2244 -12.2244 -12.1236 -12.1236 -12.1192 -12.1192 -6.1043 -6.1043 -6.0955 -6.0955 -6.0270 -6.0270 -6.0259 -6.0259 -5.7886 -5.7886 -5.7757 -5.7757 -5.7241 -5.7241 -5.7013 -5.7013 -5.6673 -5.6673 -5.6609 -5.6609 -3.9576 -3.9576 -3.7626 -3.7626 -2.6967 -2.6967 -2.4724 -2.4724 -2.3538 -2.3538 -2.0907 -2.0907 -1.9536 -1.9536 -1.5810 -1.5810 -1.3406 -1.3406 -1.2092 -1.2092 -1.0993 -1.0993 -0.8297 -0.8297 -0.7337 -0.7337 -0.5375 -0.5375 -0.4917 -0.4917 -0.3140 -0.3140 -0.2716 -0.2716 -0.1597 -0.1597 -0.1219 -0.1219 -0.1125 -0.1125 -0.0899 -0.0899 -0.0494 -0.0494 0.0338 0.0338 0.1009 0.1009 4.3176 4.3176 k = 0.1062-0.0800 0.1284 ( 12130 PWs) bands (ev): -14.0389 -14.0389 -13.8582 -13.8582 -13.8165 -13.8165 -13.7706 -13.7706 -12.2468 -12.2468 -12.2256 -12.2256 -12.1229 -12.1229 -12.1201 -12.1201 -6.1043 -6.1043 -6.0965 -6.0965 -6.0270 -6.0270 -6.0263 -6.0263 -5.7886 -5.7886 -5.7768 -5.7768 -5.7239 -5.7239 -5.7017 -5.7017 -5.6678 -5.6678 -5.6607 -5.6607 -3.9434 -3.9434 -3.7513 -3.7513 -2.6853 -2.6853 -2.4649 -2.4649 -2.3501 -2.3501 -2.0824 -2.0824 -1.9525 -1.9525 -1.5743 -1.5743 -1.3341 -1.3341 -1.2411 -1.2411 -1.1063 -1.1063 -0.8297 -0.8297 -0.7372 -0.7372 -0.5493 -0.5493 -0.4910 -0.4910 -0.3204 -0.3204 -0.2807 -0.2807 -0.1684 -0.1684 -0.1383 -0.1383 -0.1171 -0.1171 -0.0970 -0.0970 -0.0557 -0.0557 0.0244 0.0244 0.0943 0.0943 4.3651 4.3651 k = 0.1195-0.0900 0.1444 ( 12140 PWs) bands (ev): -14.0355 -14.0355 -13.8590 -13.8590 -13.8187 -13.8187 -13.7703 -13.7703 -12.2477 -12.2477 -12.2268 -12.2268 -12.1220 -12.1220 -12.1211 -12.1211 -6.1044 -6.1044 -6.0975 -6.0975 -6.0271 -6.0271 -6.0265 -6.0265 -5.7886 -5.7886 -5.7780 -5.7780 -5.7238 -5.7238 -5.7021 -5.7021 -5.6683 -5.6683 -5.6604 -5.6604 -3.9277 -3.9277 -3.7390 -3.7390 -2.6723 -2.6723 -2.4570 -2.4570 -2.3464 -2.3464 -2.0728 -2.0728 -1.9505 -1.9505 -1.5665 -1.5665 -1.3271 -1.3271 -1.2746 -1.2746 -1.1140 -1.1140 -0.8310 -0.8310 -0.7411 -0.7411 -0.5623 -0.5623 -0.4903 -0.4903 -0.3283 -0.3283 -0.2907 -0.2907 -0.1773 -0.1773 -0.1575 -0.1575 -0.1218 -0.1218 -0.1049 -0.1049 -0.0625 -0.0625 0.0147 0.0147 0.0869 0.0869 4.4171 4.4171 k = 0.1327-0.1000 0.1605 ( 12148 PWs) bands (ev): -14.0317 -14.0317 -13.8600 -13.8600 -13.8211 -13.8211 -13.7698 -13.7698 -12.2487 -12.2487 -12.2282 -12.2282 -12.1221 -12.1221 -12.1211 -12.1211 -6.1044 -6.1044 -6.0985 -6.0985 -6.0275 -6.0275 -6.0265 -6.0265 -5.7886 -5.7886 -5.7792 -5.7792 -5.7236 -5.7236 -5.7025 -5.7025 -5.6689 -5.6689 -5.6601 -5.6601 -3.9107 -3.9107 -3.7258 -3.7258 -2.6578 -2.6578 -2.4488 -2.4488 -2.3427 -2.3427 -2.0616 -2.0616 -1.9474 -1.9474 -1.5577 -1.5577 -1.3217 -1.3217 -1.3074 -1.3074 -1.1223 -1.1223 -0.8337 -0.8337 -0.7454 -0.7454 -0.5767 -0.5767 -0.4896 -0.4896 -0.3377 -0.3377 -0.3015 -0.3015 -0.1866 -0.1866 -0.1786 -0.1786 -0.1273 -0.1273 -0.1136 -0.1136 -0.0698 -0.0698 0.0048 0.0048 0.0787 0.0787 4.4732 4.4732 k = 0.1460-0.1100 0.1765 ( 12166 PWs) bands (ev): -14.0277 -14.0277 -13.8612 -13.8612 -13.8237 -13.8237 -13.7692 -13.7692 -12.2499 -12.2499 -12.2298 -12.2298 -12.1233 -12.1233 -12.1202 -12.1202 -6.1045 -6.1045 -6.0995 -6.0995 -6.0280 -6.0280 -6.0265 -6.0265 -5.7887 -5.7887 -5.7804 -5.7804 -5.7234 -5.7234 -5.7030 -5.7030 -5.6695 -5.6695 -5.6599 -5.6599 -3.8925 -3.8925 -3.7120 -3.7120 -2.6418 -2.6418 -2.4407 -2.4407 -2.3388 -2.3388 -2.0488 -2.0488 -1.9428 -1.9428 -1.5480 -1.5480 -1.3474 -1.3474 -1.3094 -1.3094 -1.1310 -1.1310 -0.8377 -0.8377 -0.7499 -0.7499 -0.5921 -0.5921 -0.4890 -0.4890 -0.3488 -0.3488 -0.3132 -0.3132 -0.2033 -0.2033 -0.1940 -0.1940 -0.1335 -0.1335 -0.1229 -0.1229 -0.0776 -0.0776 -0.0054 -0.0054 0.0696 0.0696 4.5328 4.5328 k = 0.1593-0.1200 0.1926 ( 12166 PWs) bands (ev): -14.0233 -14.0233 -13.8626 -13.8626 -13.8264 -13.8264 -13.7683 -13.7683 -12.2510 -12.2510 -12.2314 -12.2314 -12.1245 -12.1245 -12.1191 -12.1191 -6.1049 -6.1049 -6.1003 -6.1003 -6.0286 -6.0286 -6.0264 -6.0264 -5.7888 -5.7888 -5.7815 -5.7815 -5.7232 -5.7232 -5.7035 -5.7035 -5.6701 -5.6701 -5.6595 -5.6595 -3.8732 -3.8732 -3.6978 -3.6978 -2.6243 -2.6243 -2.4333 -2.4333 -2.3342 -2.3342 -2.0344 -2.0344 -1.9367 -1.9367 -1.5374 -1.5374 -1.3836 -1.3836 -1.3014 -1.3014 -1.1401 -1.1401 -0.8430 -0.8430 -0.7548 -0.7548 -0.6085 -0.6085 -0.4885 -0.4885 -0.3617 -0.3617 -0.3255 -0.3255 -0.2278 -0.2278 -0.2027 -0.2027 -0.1408 -0.1408 -0.1322 -0.1322 -0.0860 -0.0860 -0.0158 -0.0158 0.0596 0.0596 4.5952 4.5952 k = 0.1725-0.1300 0.2086 ( 12154 PWs) bands (ev): -14.0188 -14.0188 -13.8643 -13.8643 -13.8292 -13.8292 -13.7672 -13.7672 -12.2523 -12.2523 -12.2332 -12.2332 -12.1258 -12.1258 -12.1180 -12.1180 -6.1054 -6.1054 -6.1007 -6.1007 -6.0292 -6.0292 -6.0263 -6.0263 -5.7891 -5.7891 -5.7825 -5.7825 -5.7230 -5.7230 -5.7040 -5.7040 -5.6708 -5.6708 -5.6592 -5.6592 -3.8531 -3.8531 -3.6833 -3.6833 -2.6054 -2.6054 -2.4270 -2.4270 -2.3286 -2.3286 -2.0186 -2.0186 -1.9286 -1.9286 -1.5260 -1.5260 -1.4202 -1.4202 -1.2930 -1.2930 -1.1492 -1.1492 -0.8495 -0.8495 -0.7599 -0.7599 -0.6256 -0.6256 -0.4881 -0.4881 -0.3766 -0.3766 -0.3385 -0.3385 -0.2536 -0.2536 -0.2106 -0.2106 -0.1499 -0.1499 -0.1410 -0.1410 -0.0949 -0.0949 -0.0266 -0.0266 0.0489 0.0489 4.6601 4.6601 k = 0.1858-0.1400 0.2247 ( 12166 PWs) bands (ev): -14.0141 -14.0141 -13.8662 -13.8662 -13.8320 -13.8320 -13.7659 -13.7659 -12.2536 -12.2536 -12.2351 -12.2351 -12.1272 -12.1272 -12.1169 -12.1169 -6.1064 -6.1064 -6.1009 -6.1009 -6.0299 -6.0299 -6.0262 -6.0262 -5.7897 -5.7897 -5.7831 -5.7831 -5.7228 -5.7228 -5.7046 -5.7046 -5.6715 -5.6715 -5.6588 -5.6588 -3.8324 -3.8324 -3.6688 -3.6688 -2.5851 -2.5851 -2.4221 -2.4221 -2.3213 -2.3213 -2.0017 -2.0017 -1.9184 -1.9184 -1.5139 -1.5139 -1.4566 -1.4566 -1.2851 -1.2851 -1.1579 -1.1579 -0.8572 -0.8572 -0.7653 -0.7653 -0.6434 -0.6434 -0.4878 -0.4878 -0.3935 -0.3935 -0.3520 -0.3520 -0.2801 -0.2801 -0.2179 -0.2179 -0.1606 -0.1606 -0.1489 -0.1489 -0.1046 -0.1046 -0.0378 -0.0378 0.0374 0.0374 4.7266 4.7266 k = 0.1991-0.1500 0.2407 ( 12142 PWs) bands (ev): -14.0092 -14.0092 -13.8683 -13.8683 -13.8350 -13.8350 -13.7644 -13.7644 -12.2549 -12.2549 -12.2371 -12.2371 -12.1286 -12.1286 -12.1157 -12.1157 -6.1074 -6.1074 -6.1008 -6.1008 -6.0307 -6.0307 -6.0261 -6.0261 -5.7905 -5.7905 -5.7835 -5.7835 -5.7225 -5.7225 -5.7052 -5.7052 -5.6722 -5.6722 -5.6584 -5.6584 -3.8113 -3.8113 -3.6545 -3.6545 -2.5637 -2.5637 -2.4188 -2.4188 -2.3119 -2.3119 -1.9842 -1.9842 -1.9055 -1.9055 -1.5024 -1.5024 -1.4915 -1.4915 -1.2783 -1.2783 -1.1656 -1.1656 -0.8660 -0.8660 -0.7709 -0.7709 -0.6614 -0.6614 -0.4877 -0.4877 -0.4122 -0.4122 -0.3658 -0.3658 -0.3069 -0.3069 -0.2245 -0.2245 -0.1725 -0.1725 -0.1565 -0.1565 -0.1149 -0.1149 -0.0494 -0.0494 0.0252 0.0252 4.7943 4.7943 k = 0.2124-0.1600 0.2567 ( 12144 PWs) bands (ev): -14.0042 -14.0042 -13.8706 -13.8706 -13.8379 -13.8379 -13.7627 -13.7627 -12.2563 -12.2563 -12.2391 -12.2391 -12.1300 -12.1300 -12.1145 -12.1145 -6.1087 -6.1087 -6.1005 -6.1005 -6.0314 -6.0314 -6.0260 -6.0260 -5.7916 -5.7916 -5.7836 -5.7836 -5.7223 -5.7223 -5.7058 -5.7058 -5.6729 -5.6729 -5.6581 -5.6581 -3.7900 -3.7900 -3.6406 -3.6406 -2.5415 -2.5415 -2.4167 -2.4167 -2.3004 -2.3004 -1.9668 -1.9668 -1.8895 -1.8895 -1.5284 -1.5284 -1.4875 -1.4875 -1.2737 -1.2737 -1.1714 -1.1714 -0.8759 -0.8759 -0.7769 -0.7769 -0.6794 -0.6794 -0.4877 -0.4877 -0.4327 -0.4327 -0.3799 -0.3799 -0.3339 -0.3339 -0.2306 -0.2306 -0.1851 -0.1851 -0.1640 -0.1640 -0.1261 -0.1261 -0.0615 -0.0615 0.0122 0.0122 4.8626 4.8626 k = 0.2256-0.1700 0.2728 ( 12128 PWs) bands (ev): -13.9992 -13.9992 -13.8731 -13.8731 -13.8408 -13.8408 -13.7608 -13.7608 -12.2577 -12.2577 -12.2413 -12.2413 -12.1315 -12.1315 -12.1132 -12.1132 -6.1099 -6.1099 -6.1001 -6.1001 -6.0323 -6.0323 -6.0260 -6.0260 -5.7927 -5.7927 -5.7834 -5.7834 -5.7222 -5.7222 -5.7065 -5.7065 -5.6736 -5.6736 -5.6577 -5.6577 -3.7686 -3.7686 -3.6273 -3.6273 -2.5191 -2.5191 -2.4146 -2.4146 -2.2868 -2.2868 -1.9500 -1.9500 -1.8700 -1.8700 -1.5621 -1.5621 -1.4744 -1.4744 -1.2724 -1.2724 -1.1740 -1.1740 -0.8868 -0.8868 -0.7831 -0.7831 -0.6971 -0.6971 -0.4880 -0.4880 -0.4548 -0.4548 -0.3943 -0.3943 -0.3606 -0.3606 -0.2361 -0.2361 -0.1981 -0.1981 -0.1714 -0.1714 -0.1381 -0.1381 -0.0741 -0.0741 -0.0014 -0.0014 4.9308 4.9308 k = 0.2389-0.1800 0.2888 ( 12134 PWs) bands (ev): -13.9942 -13.9942 -13.8757 -13.8757 -13.8436 -13.8436 -13.7588 -13.7588 -12.2592 -12.2592 -12.2434 -12.2434 -12.1330 -12.1330 -12.1119 -12.1119 -6.1112 -6.1112 -6.0997 -6.0997 -6.0332 -6.0332 -6.0260 -6.0260 -5.7940 -5.7940 -5.7832 -5.7832 -5.7220 -5.7220 -5.7073 -5.7073 -5.6744 -5.6744 -5.6574 -5.6574 -3.7476 -3.7476 -3.6148 -3.6148 -2.4979 -2.4979 -2.4108 -2.4108 -2.2715 -2.2715 -1.9342 -1.9342 -1.8472 -1.8472 -1.5943 -1.5943 -1.4614 -1.4614 -1.2750 -1.2750 -1.1726 -1.1726 -0.8986 -0.8986 -0.7898 -0.7898 -0.7139 -0.7139 -0.4886 -0.4886 -0.4783 -0.4783 -0.4087 -0.4087 -0.3867 -0.3867 -0.2413 -0.2413 -0.2113 -0.2113 -0.1789 -0.1789 -0.1510 -0.1510 -0.0871 -0.0871 -0.0156 -0.0156 4.9983 4.9983 k = 0.2522-0.1900 0.3049 ( 12138 PWs) bands (ev): -13.9892 -13.9892 -13.8785 -13.8785 -13.8463 -13.8463 -13.7566 -13.7566 -12.2606 -12.2606 -12.2457 -12.2457 -12.1345 -12.1345 -12.1107 -12.1107 -6.1124 -6.1124 -6.0992 -6.0992 -6.0341 -6.0341 -6.0260 -6.0260 -5.7953 -5.7953 -5.7828 -5.7828 -5.7218 -5.7218 -5.7080 -5.7080 -5.6752 -5.6752 -5.6570 -5.6570 -3.7269 -3.7269 -3.6032 -3.6032 -2.4800 -2.4800 -2.4028 -2.4028 -2.2547 -2.2547 -1.9196 -1.9196 -1.8215 -1.8215 -1.6245 -1.6245 -1.4491 -1.4491 -1.2810 -1.2810 -1.1676 -1.1676 -0.9112 -0.9112 -0.7973 -0.7973 -0.7293 -0.7293 -0.5032 -0.5032 -0.4895 -0.4895 -0.4237 -0.4237 -0.4117 -0.4117 -0.2461 -0.2461 -0.2245 -0.2245 -0.1864 -0.1864 -0.1648 -0.1648 -0.1005 -0.1005 -0.0304 -0.0304 5.0645 5.0645 k = 0.2655-0.2000 0.3209 ( 12136 PWs) bands (ev): -13.9844 -13.9844 -13.8813 -13.8813 -13.8489 -13.8489 -13.7543 -13.7543 -12.2621 -12.2621 -12.2480 -12.2480 -12.1360 -12.1360 -12.1094 -12.1094 -6.1136 -6.1136 -6.0986 -6.0986 -6.0350 -6.0350 -6.0260 -6.0260 -5.7965 -5.7965 -5.7824 -5.7824 -5.7217 -5.7217 -5.7088 -5.7088 -5.6759 -5.6759 -5.6567 -5.6567 -3.7070 -3.7070 -3.5926 -3.5926 -2.4674 -2.4674 -2.3881 -2.3881 -2.2366 -2.2366 -1.9059 -1.9059 -1.7938 -1.7938 -1.6519 -1.6519 -1.4384 -1.4384 -1.2890 -1.2890 -1.1597 -1.1597 -0.9246 -0.9246 -0.8058 -0.8058 -0.7427 -0.7427 -0.5289 -0.5289 -0.4912 -0.4912 -0.4416 -0.4416 -0.4324 -0.4324 -0.2510 -0.2510 -0.2373 -0.2373 -0.1938 -0.1938 -0.1795 -0.1795 -0.1143 -0.1143 -0.0457 -0.0457 5.1287 5.1287 k = 0.2787-0.2101 0.3370 ( 12140 PWs) bands (ev): -13.9797 -13.9797 -13.8842 -13.8842 -13.8513 -13.8513 -13.7520 -13.7520 -12.2635 -12.2635 -12.2502 -12.2502 -12.1374 -12.1374 -12.1081 -12.1081 -6.1148 -6.1148 -6.0980 -6.0980 -6.0360 -6.0360 -6.0261 -6.0261 -5.7978 -5.7978 -5.7819 -5.7819 -5.7216 -5.7216 -5.7095 -5.7095 -5.6767 -5.6767 -5.6563 -5.6563 -3.6879 -3.6879 -3.5831 -3.5831 -2.4599 -2.4599 -2.3667 -2.3667 -2.2174 -2.2174 -1.8933 -1.8933 -1.7659 -1.7659 -1.6751 -1.6751 -1.4304 -1.4304 -1.2970 -1.2970 -1.1499 -1.1499 -0.9385 -0.9385 -0.8157 -0.8157 -0.7535 -0.7535 -0.5554 -0.5554 -0.4943 -0.4943 -0.4632 -0.4632 -0.4471 -0.4471 -0.2575 -0.2575 -0.2480 -0.2480 -0.2014 -0.2014 -0.1949 -0.1949 -0.1284 -0.1284 -0.0615 -0.0615 5.1901 5.1901 k = 0.2920-0.2201 0.3530 ( 12138 PWs) bands (ev): -13.9752 -13.9752 -13.8872 -13.8872 -13.8535 -13.8535 -13.7496 -13.7496 -12.2649 -12.2649 -12.2525 -12.2525 -12.1389 -12.1389 -12.1069 -12.1069 -6.1158 -6.1158 -6.0974 -6.0974 -6.0369 -6.0369 -6.0262 -6.0262 -5.7989 -5.7989 -5.7814 -5.7814 -5.7215 -5.7215 -5.7103 -5.7103 -5.6775 -5.6775 -5.6560 -5.6560 -3.6699 -3.6699 -3.5748 -3.5748 -2.4550 -2.4550 -2.3411 -2.3411 -2.1972 -2.1972 -1.8818 -1.8818 -1.7429 -1.7429 -1.6891 -1.6891 -1.4266 -1.4266 -1.3026 -1.3026 -1.1391 -1.1391 -0.9527 -0.9527 -0.8271 -0.8271 -0.7615 -0.7615 -0.5825 -0.5825 -0.5019 -0.5019 -0.4821 -0.4821 -0.4592 -0.4592 -0.2679 -0.2679 -0.2544 -0.2544 -0.2135 -0.2135 -0.2067 -0.2067 -0.1427 -0.1427 -0.0775 -0.0775 5.2481 5.2481 k = 0.3053-0.2301 0.3691 ( 12144 PWs) bands (ev): -13.9710 -13.9710 -13.8901 -13.8901 -13.8554 -13.8554 -13.7471 -13.7471 -12.2663 -12.2663 -12.2548 -12.2548 -12.1403 -12.1403 -12.1056 -12.1056 -6.1169 -6.1169 -6.0967 -6.0967 -6.0378 -6.0378 -6.0263 -6.0263 -5.8001 -5.8001 -5.7809 -5.7809 -5.7214 -5.7214 -5.7111 -5.7111 -5.6782 -5.6782 -5.6557 -5.6557 -3.6531 -3.6531 -3.5677 -3.5677 -2.4508 -2.4508 -2.3134 -2.3134 -2.1759 -2.1759 -1.8720 -1.8720 -1.7385 -1.7385 -1.6805 -1.6805 -1.4283 -1.4283 -1.3039 -1.3039 -1.1278 -1.1278 -0.9671 -0.9671 -0.8397 -0.8397 -0.7667 -0.7667 -0.6099 -0.6099 -0.5181 -0.5181 -0.4935 -0.4935 -0.4688 -0.4688 -0.2800 -0.2800 -0.2586 -0.2586 -0.2308 -0.2308 -0.2140 -0.2140 -0.1571 -0.1571 -0.0939 -0.0939 5.3018 5.3018 k = 0.3185-0.2401 0.3851 ( 12150 PWs) bands (ev): -13.9671 -13.9671 -13.8930 -13.8930 -13.8570 -13.8570 -13.7447 -13.7447 -12.2676 -12.2676 -12.2570 -12.2570 -12.1417 -12.1417 -12.1045 -12.1045 -6.1178 -6.1178 -6.0962 -6.0962 -6.0387 -6.0387 -6.0264 -6.0264 -5.8011 -5.8011 -5.7804 -5.7804 -5.7213 -5.7213 -5.7118 -5.7118 -5.6789 -5.6789 -5.6554 -5.6554 -3.6376 -3.6376 -3.5618 -3.5618 -2.4460 -2.4460 -2.2851 -2.2851 -2.1536 -2.1536 -1.8645 -1.8645 -1.7461 -1.7461 -1.6558 -1.6558 -1.4352 -1.4352 -1.3005 -1.3005 -1.1164 -1.1164 -0.9814 -0.9814 -0.8530 -0.8530 -0.7695 -0.7695 -0.6376 -0.6376 -0.5384 -0.5384 -0.5025 -0.5025 -0.4756 -0.4756 -0.2921 -0.2921 -0.2627 -0.2627 -0.2489 -0.2489 -0.2206 -0.2206 -0.1716 -0.1716 -0.1104 -0.1104 5.3507 5.3507 k = 0.3318-0.2501 0.4012 ( 12134 PWs) bands (ev): -13.9636 -13.9636 -13.8958 -13.8958 -13.8583 -13.8583 -13.7424 -13.7424 -12.2689 -12.2689 -12.2592 -12.2592 -12.1430 -12.1430 -12.1033 -12.1033 -6.1187 -6.1187 -6.0955 -6.0955 -6.0396 -6.0396 -6.0265 -6.0265 -5.8021 -5.8021 -5.7798 -5.7798 -5.7212 -5.7212 -5.7125 -5.7125 -5.6795 -5.6795 -5.6551 -5.6551 -3.6235 -3.6235 -3.5571 -3.5571 -2.4401 -2.4401 -2.2573 -2.2573 -2.1301 -2.1301 -1.8603 -1.8603 -1.7523 -1.7523 -1.6295 -1.6295 -1.4449 -1.4449 -1.2932 -1.2932 -1.1051 -1.1051 -0.9954 -0.9954 -0.8664 -0.8664 -0.7704 -0.7704 -0.6651 -0.6651 -0.5587 -0.5587 -0.5121 -0.5121 -0.4799 -0.4799 -0.3037 -0.3037 -0.2730 -0.2730 -0.2614 -0.2614 -0.2269 -0.2269 -0.1860 -0.1860 -0.1269 -0.1269 5.3941 5.3941 k = 0.3451-0.2601 0.4172 ( 12128 PWs) bands (ev): -13.9605 -13.9605 -13.8985 -13.8985 -13.8593 -13.8593 -13.7401 -13.7401 -12.2701 -12.2701 -12.2613 -12.2613 -12.1443 -12.1443 -12.1022 -12.1022 -6.1194 -6.1194 -6.0949 -6.0949 -6.0405 -6.0405 -6.0267 -6.0267 -5.8029 -5.8029 -5.7793 -5.7793 -5.7211 -5.7211 -5.7132 -5.7132 -5.6802 -5.6802 -5.6548 -5.6548 -3.6110 -3.6110 -3.5534 -3.5534 -2.4326 -2.4326 -2.2309 -2.2309 -2.1056 -2.1056 -1.8595 -1.8595 -1.7535 -1.7535 -1.6075 -1.6075 -1.4536 -1.4536 -1.2834 -1.2834 -1.0943 -1.0943 -1.0088 -1.0088 -0.8797 -0.8797 -0.7696 -0.7696 -0.6925 -0.6925 -0.5783 -0.5783 -0.5221 -0.5221 -0.4829 -0.4829 -0.3149 -0.3149 -0.2925 -0.2925 -0.2652 -0.2652 -0.2329 -0.2329 -0.2003 -0.2003 -0.1433 -0.1433 5.4315 5.4315 k = 0.3584-0.2701 0.4333 ( 12146 PWs) bands (ev): -13.9577 -13.9577 -13.9011 -13.9011 -13.8599 -13.8599 -13.7379 -13.7379 -12.2713 -12.2713 -12.2633 -12.2633 -12.1455 -12.1455 -12.1012 -12.1012 -6.1201 -6.1201 -6.0944 -6.0944 -6.0413 -6.0413 -6.0269 -6.0269 -5.8038 -5.8038 -5.7789 -5.7789 -5.7210 -5.7210 -5.7140 -5.7140 -5.6808 -5.6808 -5.6546 -5.6546 -3.5999 -3.5999 -3.5507 -3.5507 -2.4236 -2.4236 -2.2067 -2.2067 -2.0804 -2.0804 -1.8610 -1.8610 -1.7500 -1.7500 -1.5946 -1.5946 -1.4566 -1.4566 -1.2721 -1.2721 -1.0840 -1.0840 -1.0214 -1.0214 -0.8925 -0.8925 -0.7674 -0.7674 -0.7192 -0.7192 -0.5967 -0.5967 -0.5320 -0.5320 -0.4853 -0.4853 -0.3260 -0.3260 -0.3130 -0.3130 -0.2677 -0.2677 -0.2387 -0.2387 -0.2144 -0.2144 -0.1595 -0.1595 5.4627 5.4627 k = 0.3716-0.2801 0.4493 ( 12132 PWs) bands (ev): -13.9554 -13.9554 -13.9035 -13.9035 -13.8603 -13.8603 -13.7358 -13.7358 -12.2724 -12.2724 -12.2652 -12.2652 -12.1466 -12.1466 -12.1002 -12.1002 -6.1207 -6.1207 -6.0939 -6.0939 -6.0420 -6.0420 -6.0270 -6.0270 -5.8044 -5.8044 -5.7784 -5.7784 -5.7209 -5.7209 -5.7146 -5.7146 -5.6813 -5.6813 -5.6543 -5.6543 -3.5903 -3.5903 -3.5488 -3.5488 -2.4130 -2.4130 -2.1849 -2.1849 -2.0551 -2.0551 -1.8629 -1.8629 -1.7432 -1.7432 -1.5937 -1.5937 -1.4512 -1.4512 -1.2597 -1.2597 -1.0746 -1.0746 -1.0325 -1.0325 -0.9048 -0.9048 -0.7641 -0.7641 -0.7452 -0.7452 -0.6137 -0.6137 -0.5413 -0.5413 -0.4874 -0.4874 -0.3413 -0.3413 -0.3293 -0.3293 -0.2696 -0.2696 -0.2443 -0.2443 -0.2281 -0.2281 -0.1752 -0.1752 5.4878 5.4878 k = 0.3849-0.2901 0.4653 ( 12132 PWs) bands (ev): -13.9535 -13.9535 -13.9058 -13.9058 -13.8604 -13.8604 -13.7339 -13.7339 -12.2734 -12.2734 -12.2670 -12.2670 -12.1476 -12.1476 -12.0993 -12.0993 -6.1212 -6.1212 -6.0934 -6.0934 -6.0427 -6.0427 -6.0272 -6.0272 -5.8051 -5.8051 -5.7780 -5.7780 -5.7208 -5.7208 -5.7152 -5.7152 -5.6819 -5.6819 -5.6541 -5.6541 -3.5821 -3.5821 -3.5477 -3.5477 -2.4011 -2.4011 -2.1659 -2.1659 -2.0308 -2.0308 -1.8632 -1.8632 -1.7349 -1.7349 -1.6026 -1.6026 -1.4395 -1.4395 -1.2464 -1.2464 -1.0671 -1.0671 -1.0410 -1.0410 -0.9162 -0.9162 -0.7706 -0.7706 -0.7594 -0.7594 -0.6291 -0.6291 -0.5499 -0.5499 -0.4894 -0.4894 -0.3626 -0.3626 -0.3387 -0.3387 -0.2713 -0.2713 -0.2503 -0.2503 -0.2407 -0.2407 -0.1902 -0.1902 5.5068 5.5069 k = 0.3982-0.3001 0.4814 ( 12118 PWs) bands (ev): -13.9520 -13.9520 -13.9079 -13.9079 -13.8603 -13.8603 -13.7321 -13.7321 -12.2743 -12.2743 -12.2686 -12.2686 -12.1485 -12.1485 -12.0985 -12.0985 -6.1216 -6.1216 -6.0930 -6.0930 -6.0433 -6.0433 -6.0273 -6.0273 -5.8056 -5.8056 -5.7776 -5.7776 -5.7207 -5.7207 -5.7158 -5.7158 -5.6823 -5.6823 -5.6539 -5.6539 -3.5752 -3.5752 -3.5471 -3.5471 -2.3882 -2.3882 -2.1496 -2.1496 -2.0088 -2.0088 -1.8606 -1.8606 -1.7265 -1.7265 -1.6162 -1.6162 -1.4265 -1.4265 -1.2321 -1.2321 -1.0641 -1.0641 -1.0438 -1.0438 -0.9268 -0.9268 -0.7940 -0.7940 -0.7546 -0.7546 -0.6430 -0.6430 -0.5576 -0.5576 -0.4915 -0.4915 -0.3854 -0.3854 -0.3455 -0.3455 -0.2726 -0.2726 -0.2592 -0.2592 -0.2498 -0.2498 -0.2043 -0.2043 5.5204 5.5204 k = 0.4115-0.3101 0.4974 ( 12106 PWs) bands (ev): -13.9508 -13.9508 -13.9097 -13.9097 -13.8600 -13.8600 -13.7304 -13.7304 -12.2751 -12.2751 -12.2701 -12.2701 -12.1494 -12.1494 -12.0978 -12.0978 -6.1219 -6.1219 -6.0927 -6.0927 -6.0438 -6.0438 -6.0275 -6.0275 -5.8060 -5.8060 -5.7773 -5.7773 -5.7206 -5.7206 -5.7163 -5.7163 -5.6827 -5.6827 -5.6537 -5.6537 -3.5695 -3.5695 -3.5470 -3.5470 -2.3747 -2.3747 -2.1361 -2.1361 -1.9902 -1.9902 -1.8546 -1.8546 -1.7194 -1.7194 -1.6299 -1.6299 -1.4161 -1.4161 -1.2167 -1.2167 -1.0672 -1.0672 -1.0393 -1.0393 -0.9364 -0.9364 -0.8158 -0.8158 -0.7493 -0.7493 -0.6551 -0.6551 -0.5643 -0.5643 -0.4938 -0.4938 -0.4080 -0.4080 -0.3506 -0.3506 -0.2740 -0.2740 -0.2708 -0.2708 -0.2551 -0.2551 -0.2172 -0.2172 5.5279 5.5279 k = 0.4247-0.3201 0.5135 ( 12094 PWs) bands (ev): -13.9498 -13.9498 -13.9114 -13.9114 -13.8595 -13.8595 -13.7290 -13.7290 -12.2758 -12.2758 -12.2714 -12.2714 -12.1501 -12.1501 -12.0972 -12.0972 -6.1222 -6.1222 -6.0923 -6.0923 -6.0443 -6.0443 -6.0276 -6.0276 -5.8064 -5.8064 -5.7770 -5.7770 -5.7205 -5.7205 -5.7168 -5.7168 -5.6831 -5.6831 -5.6536 -5.6536 -3.5649 -3.5649 -3.5473 -3.5473 -2.3611 -2.3611 -2.1251 -2.1251 -1.9754 -1.9754 -1.8464 -1.8464 -1.7149 -1.7149 -1.6402 -1.6402 -1.4100 -1.4100 -1.2007 -1.2007 -1.0718 -1.0718 -1.0318 -1.0318 -0.9450 -0.9450 -0.8356 -0.8356 -0.7440 -0.7440 -0.6653 -0.6653 -0.5701 -0.5701 -0.4963 -0.4963 -0.4295 -0.4295 -0.3541 -0.3541 -0.2838 -0.2838 -0.2743 -0.2743 -0.2592 -0.2592 -0.2287 -0.2287 5.5284 5.5284 k = 0.4380-0.3301 0.5295 ( 12086 PWs) bands (ev): -13.9492 -13.9492 -13.9128 -13.9128 -13.8591 -13.8591 -13.7278 -13.7278 -12.2764 -12.2764 -12.2725 -12.2725 -12.1507 -12.1507 -12.0966 -12.0966 -6.1224 -6.1224 -6.0921 -6.0921 -6.0447 -6.0447 -6.0277 -6.0277 -5.8067 -5.8067 -5.7767 -5.7767 -5.7204 -5.7204 -5.7172 -5.7172 -5.6834 -5.6834 -5.6534 -5.6534 -3.5612 -3.5612 -3.5477 -3.5477 -2.3480 -2.3480 -2.1165 -2.1165 -1.9638 -1.9638 -1.8385 -1.8385 -1.7127 -1.7127 -1.6450 -1.6450 -1.4085 -1.4085 -1.1848 -1.1848 -1.0758 -1.0758 -1.0234 -1.0234 -0.9525 -0.9525 -0.8531 -0.8531 -0.7388 -0.7388 -0.6738 -0.6738 -0.5749 -0.5749 -0.4994 -0.4994 -0.4490 -0.4490 -0.3560 -0.3560 -0.2959 -0.2959 -0.2748 -0.2748 -0.2627 -0.2627 -0.2386 -0.2386 5.5265 5.5265 k = 0.4513-0.3401 0.5456 ( 12074 PWs) bands (ev): -13.9487 -13.9487 -13.9139 -13.9139 -13.8586 -13.8586 -13.7268 -13.7268 -12.2769 -12.2769 -12.2734 -12.2734 -12.1512 -12.1512 -12.0962 -12.0962 -6.1225 -6.1225 -6.0919 -6.0919 -6.0450 -6.0450 -6.0278 -6.0278 -5.8069 -5.8069 -5.7765 -5.7765 -5.7202 -5.7202 -5.7176 -5.7176 -5.6837 -5.6837 -5.6533 -5.6533 -3.5584 -3.5584 -3.5482 -3.5482 -2.3361 -2.3361 -2.1101 -2.1101 -1.9543 -1.9543 -1.8344 -1.8344 -1.7103 -1.7103 -1.6453 -1.6453 -1.4106 -1.4106 -1.1702 -1.1702 -1.0790 -1.0790 -1.0147 -1.0147 -0.9591 -0.9591 -0.8680 -0.8680 -0.7341 -0.7341 -0.6806 -0.6806 -0.5787 -0.5787 -0.5033 -0.5033 -0.4651 -0.4651 -0.3562 -0.3562 -0.3074 -0.3074 -0.2750 -0.2750 -0.2658 -0.2658 -0.2467 -0.2467 5.5243 5.5243 k = 0.4645-0.3501 0.5616 ( 12094 PWs) bands (ev): -13.9483 -13.9483 -13.9148 -13.9148 -13.8582 -13.8582 -13.7261 -13.7261 -12.2773 -12.2773 -12.2741 -12.2741 -12.1516 -12.1516 -12.0959 -12.0959 -6.1227 -6.1227 -6.0918 -6.0918 -6.0453 -6.0453 -6.0280 -6.0280 -5.8072 -5.8072 -5.7764 -5.7764 -5.7202 -5.7202 -5.7179 -5.7179 -5.6839 -5.6839 -5.6532 -5.6532 -3.5563 -3.5563 -3.5488 -3.5488 -2.3262 -2.3262 -2.1057 -2.1057 -1.9462 -1.9462 -1.8351 -1.8351 -1.7056 -1.7056 -1.6433 -1.6433 -1.4149 -1.4149 -1.1581 -1.1581 -1.0814 -1.0814 -1.0060 -1.0060 -0.9648 -0.9648 -0.8799 -0.8799 -0.7302 -0.7302 -0.6857 -0.6857 -0.5817 -0.5817 -0.5084 -0.5084 -0.4766 -0.4766 -0.3547 -0.3547 -0.3181 -0.3181 -0.2750 -0.2750 -0.2684 -0.2684 -0.2529 -0.2529 5.5222 5.5222 k = 0.4778-0.3601 0.5777 ( 12072 PWs) bands (ev): -13.9481 -13.9481 -13.9154 -13.9154 -13.8579 -13.8579 -13.7255 -13.7255 -12.2775 -12.2775 -12.2746 -12.2746 -12.1519 -12.1519 -12.0956 -12.0956 -6.1227 -6.1227 -6.0916 -6.0916 -6.0454 -6.0454 -6.0280 -6.0280 -5.8072 -5.8072 -5.7763 -5.7763 -5.7200 -5.7200 -5.7181 -5.7181 -5.6840 -5.6840 -5.6532 -5.6532 -3.5549 -3.5549 -3.5493 -3.5493 -2.3189 -2.3189 -2.1029 -2.1029 -1.9397 -1.9397 -1.8390 -1.8390 -1.6997 -1.6997 -1.6412 -1.6412 -1.4195 -1.4195 -1.1493 -1.1493 -1.0830 -1.0830 -0.9982 -0.9982 -0.9697 -0.9697 -0.8885 -0.8885 -0.7271 -0.7271 -0.6893 -0.6893 -0.5837 -0.5837 -0.5138 -0.5138 -0.4833 -0.4833 -0.3517 -0.3517 -0.3276 -0.3276 -0.2746 -0.2746 -0.2705 -0.2705 -0.2571 -0.2571 5.5207 5.5207 k = 0.4778-0.3601 0.5777 ( 12072 PWs) bands (ev): -13.9481 -13.9481 -13.9154 -13.9154 -13.8579 -13.8579 -13.7255 -13.7255 -12.2775 -12.2775 -12.2746 -12.2746 -12.1519 -12.1519 -12.0956 -12.0956 -6.1227 -6.1227 -6.0916 -6.0916 -6.0454 -6.0454 -6.0280 -6.0280 -5.8072 -5.8072 -5.7763 -5.7763 -5.7200 -5.7200 -5.7181 -5.7181 -5.6840 -5.6840 -5.6532 -5.6532 -3.5549 -3.5549 -3.5493 -3.5493 -2.3189 -2.3189 -2.1029 -2.1029 -1.9397 -1.9397 -1.8390 -1.8390 -1.6997 -1.6997 -1.6412 -1.6412 -1.4195 -1.4195 -1.1493 -1.1493 -1.0830 -1.0830 -0.9982 -0.9982 -0.9697 -0.9697 -0.8885 -0.8885 -0.7271 -0.7271 -0.6893 -0.6893 -0.5837 -0.5837 -0.5138 -0.5138 -0.4833 -0.4833 -0.3517 -0.3517 -0.3276 -0.3276 -0.2746 -0.2746 -0.2705 -0.2705 -0.2571 -0.2571 5.5207 5.5207 k = 0.4787-0.3400 0.5667 ( 12086 PWs) bands (ev): -13.9484 -13.9484 -13.9150 -13.9150 -13.8581 -13.8581 -13.7259 -13.7259 -12.2775 -12.2775 -12.2741 -12.2741 -12.1517 -12.1517 -12.0958 -12.0958 -6.1227 -6.1227 -6.0917 -6.0917 -6.0453 -6.0453 -6.0280 -6.0280 -5.8072 -5.8072 -5.7764 -5.7764 -5.7202 -5.7202 -5.7179 -5.7179 -5.6839 -5.6839 -5.6532 -5.6532 -3.5562 -3.5562 -3.5493 -3.5493 -2.3232 -2.3232 -2.1052 -2.1052 -1.9446 -1.9446 -1.8365 -1.8365 -1.7038 -1.7038 -1.6429 -1.6429 -1.4170 -1.4170 -1.1564 -1.1564 -1.0818 -1.0818 -1.0036 -1.0036 -0.9660 -0.9660 -0.8817 -0.8817 -0.7310 -0.7310 -0.6835 -0.6835 -0.5818 -0.5818 -0.5100 -0.5100 -0.4795 -0.4795 -0.3533 -0.3533 -0.3209 -0.3209 -0.2748 -0.2748 -0.2686 -0.2686 -0.2541 -0.2541 5.5199 5.5199 k = 0.4796-0.3198 0.5556 ( 12094 PWs) bands (ev): -13.9489 -13.9489 -13.9143 -13.9143 -13.8582 -13.8582 -13.7265 -13.7265 -12.2774 -12.2774 -12.2733 -12.2733 -12.1514 -12.1514 -12.0961 -12.0961 -6.1225 -6.1225 -6.0919 -6.0919 -6.0451 -6.0451 -6.0279 -6.0279 -5.8070 -5.8070 -5.7765 -5.7765 -5.7206 -5.7206 -5.7174 -5.7174 -5.6838 -5.6838 -5.6533 -5.6533 -3.5587 -3.5587 -3.5499 -3.5499 -2.3280 -2.3280 -2.1093 -2.1093 -1.9512 -1.9512 -1.8368 -1.8368 -1.7073 -1.7073 -1.6451 -1.6451 -1.4156 -1.4156 -1.1673 -1.1673 -1.0808 -1.0808 -1.0108 -1.0108 -0.9593 -0.9593 -0.8716 -0.8716 -0.7366 -0.7366 -0.6725 -0.6725 -0.5782 -0.5782 -0.5061 -0.5061 -0.4742 -0.4742 -0.3528 -0.3528 -0.3128 -0.3128 -0.2745 -0.2745 -0.2654 -0.2654 -0.2496 -0.2496 5.5162 5.5162 k = 0.4805-0.2997 0.5446 ( 12093 PWs) bands (ev): -13.9496 -13.9496 -13.9134 -13.9134 -13.8583 -13.8583 -13.7272 -13.7272 -12.2773 -12.2773 -12.2722 -12.2722 -12.1510 -12.1510 -12.0964 -12.0964 -6.1223 -6.1223 -6.0920 -6.0920 -6.0449 -6.0449 -6.0278 -6.0278 -5.8067 -5.8067 -5.7766 -5.7766 -5.7210 -5.7210 -5.7168 -5.7168 -5.6836 -5.6836 -5.6534 -5.6534 -3.5622 -3.5622 -3.5512 -3.5512 -2.3331 -2.3331 -2.1150 -2.1150 -1.9589 -1.9589 -1.8417 -1.8417 -1.7093 -1.7093 -1.6464 -1.6464 -1.4160 -1.4160 -1.1807 -1.1807 -1.0813 -1.0813 -1.0194 -1.0194 -0.9485 -0.9485 -0.8595 -0.8595 -0.7417 -0.7417 -0.6591 -0.6591 -0.5729 -0.5729 -0.5034 -0.5034 -0.4669 -0.4669 -0.3496 -0.3496 -0.3035 -0.3035 -0.2738 -0.2738 -0.2609 -0.2609 -0.2437 -0.2437 5.5102 5.5102 k = 0.4814-0.2795 0.5336 ( 12091 PWs) bands (ev): -13.9506 -13.9506 -13.9122 -13.9122 -13.8584 -13.8584 -13.7282 -13.7282 -12.2770 -12.2770 -12.2709 -12.2709 -12.1505 -12.1505 -12.0968 -12.0968 -6.1220 -6.1220 -6.0922 -6.0922 -6.0446 -6.0446 -6.0276 -6.0276 -5.8063 -5.8063 -5.7768 -5.7768 -5.7213 -5.7213 -5.7162 -5.7162 -5.6833 -5.6833 -5.6535 -5.6535 -3.5668 -3.5668 -3.5531 -3.5531 -2.3382 -2.3382 -2.1223 -2.1223 -1.9674 -1.9674 -1.8515 -1.8515 -1.7112 -1.7112 -1.6451 -1.6451 -1.4185 -1.4185 -1.1953 -1.1953 -1.0838 -1.0838 -1.0288 -1.0288 -0.9335 -0.9335 -0.8464 -0.8464 -0.7451 -0.7451 -0.6444 -0.6444 -0.5661 -0.5661 -0.5019 -0.5019 -0.4584 -0.4584 -0.3432 -0.3432 -0.2931 -0.2931 -0.2729 -0.2729 -0.2552 -0.2552 -0.2364 -0.2364 5.5024 5.5024 k = 0.4823-0.2594 0.5226 ( 12086 PWs) bands (ev): -13.9517 -13.9517 -13.9108 -13.9108 -13.8584 -13.8584 -13.7293 -13.7293 -12.2766 -12.2766 -12.2694 -12.2694 -12.1499 -12.1499 -12.0973 -12.0973 -6.1217 -6.1217 -6.0924 -6.0924 -6.0442 -6.0442 -6.0274 -6.0274 -5.8059 -5.8059 -5.7770 -5.7770 -5.7216 -5.7216 -5.7155 -5.7155 -5.6830 -5.6830 -5.6536 -5.6536 -3.5723 -3.5723 -3.5555 -3.5555 -2.3431 -2.3431 -2.1311 -2.1311 -1.9768 -1.9768 -1.8648 -1.8648 -1.7152 -1.7152 -1.6401 -1.6401 -1.4229 -1.4229 -1.2103 -1.2103 -1.0883 -1.0883 -1.0382 -1.0382 -0.9154 -0.9154 -0.8333 -0.8333 -0.7463 -0.7463 -0.6290 -0.6290 -0.5578 -0.5578 -0.5014 -0.5014 -0.4499 -0.4499 -0.3334 -0.3334 -0.2817 -0.2817 -0.2716 -0.2716 -0.2481 -0.2481 -0.2279 -0.2279 5.4930 5.4930 k = 0.4831-0.2393 0.5116 ( 12096 PWs) bands (ev): -13.9531 -13.9531 -13.9093 -13.9093 -13.8584 -13.8584 -13.7306 -13.7306 -12.2761 -12.2761 -12.2679 -12.2679 -12.1492 -12.1492 -12.0979 -12.0979 -6.1213 -6.1213 -6.0927 -6.0927 -6.0438 -6.0438 -6.0272 -6.0272 -5.8055 -5.8055 -5.7773 -5.7773 -5.7219 -5.7219 -5.7149 -5.7149 -5.6827 -5.6827 -5.6538 -5.6538 -3.5788 -3.5788 -3.5584 -3.5584 -2.3474 -2.3474 -2.1412 -2.1412 -1.9872 -1.9872 -1.8799 -1.8799 -1.7224 -1.7224 -1.6324 -1.6324 -1.4288 -1.4288 -1.2246 -1.2246 -1.0946 -1.0946 -1.0472 -1.0472 -0.8957 -0.8957 -0.8208 -0.8208 -0.7449 -0.7449 -0.6136 -0.6136 -0.5481 -0.5481 -0.5012 -0.5012 -0.4423 -0.4423 -0.3201 -0.3201 -0.2719 -0.2719 -0.2675 -0.2675 -0.2399 -0.2399 -0.2183 -0.2183 5.4821 5.4821 k = 0.4840-0.2191 0.5006 ( 12112 PWs) bands (ev): -13.9546 -13.9546 -13.9075 -13.9075 -13.8585 -13.8585 -13.7321 -13.7321 -12.2755 -12.2755 -12.2662 -12.2662 -12.1484 -12.1484 -12.0986 -12.0986 -6.1210 -6.1210 -6.0931 -6.0931 -6.0433 -6.0433 -6.0271 -6.0271 -5.8049 -5.8049 -5.7776 -5.7776 -5.7221 -5.7221 -5.7143 -5.7143 -5.6823 -5.6823 -5.6541 -5.6541 -3.5860 -3.5860 -3.5618 -3.5618 -2.3511 -2.3511 -2.1525 -2.1525 -1.9990 -1.9990 -1.8952 -1.8952 -1.7323 -1.7323 -1.6243 -1.6243 -1.4353 -1.4353 -1.2374 -1.2374 -1.1023 -1.1023 -1.0554 -1.0554 -0.8762 -0.8762 -0.8087 -0.8087 -0.7406 -0.7406 -0.5984 -0.5984 -0.5373 -0.5373 -0.5007 -0.5007 -0.4357 -0.4357 -0.3042 -0.3042 -0.2691 -0.2691 -0.2550 -0.2550 -0.2307 -0.2307 -0.2075 -0.2075 5.4698 5.4698 k = 0.4849-0.1990 0.4895 ( 12123 PWs) bands (ev): -13.9563 -13.9563 -13.9055 -13.9055 -13.8585 -13.8585 -13.7337 -13.7337 -12.2748 -12.2748 -12.2644 -12.2644 -12.1476 -12.1476 -12.0993 -12.0993 -6.1205 -6.1205 -6.0934 -6.0934 -6.0428 -6.0428 -6.0268 -6.0268 -5.8043 -5.8043 -5.7779 -5.7779 -5.7223 -5.7223 -5.7136 -5.7136 -5.6819 -5.6819 -5.6543 -5.6543 -3.5939 -3.5939 -3.5655 -3.5655 -2.3539 -2.3539 -2.1646 -2.1646 -2.0122 -2.0122 -1.9095 -1.9095 -1.7439 -1.7439 -1.6185 -1.6185 -1.4418 -1.4418 -1.2475 -1.2475 -1.1109 -1.1109 -1.0626 -1.0626 -0.8596 -0.8596 -0.7957 -0.7957 -0.7337 -0.7337 -0.5836 -0.5836 -0.5267 -0.5267 -0.4986 -0.4986 -0.4301 -0.4301 -0.2870 -0.2870 -0.2661 -0.2661 -0.2410 -0.2410 -0.2204 -0.2204 -0.1956 -0.1956 5.4560 5.4560 k = 0.4858-0.1789 0.4785 ( 12121 PWs) bands (ev): -13.9581 -13.9581 -13.9034 -13.9034 -13.8585 -13.8585 -13.7355 -13.7355 -12.2739 -12.2739 -12.2626 -12.2626 -12.1466 -12.1466 -12.1002 -12.1002 -6.1200 -6.1200 -6.0938 -6.0938 -6.0421 -6.0421 -6.0266 -6.0266 -5.8037 -5.8037 -5.7783 -5.7783 -5.7224 -5.7224 -5.7130 -5.7130 -5.6814 -5.6814 -5.6545 -5.6545 -3.6024 -3.6024 -3.5696 -3.5696 -2.3558 -2.3558 -2.1773 -2.1773 -2.0269 -2.0269 -1.9223 -1.9223 -1.7566 -1.7566 -1.6166 -1.6166 -1.4480 -1.4480 -1.2543 -1.2543 -1.1198 -1.1198 -1.0687 -1.0687 -0.8482 -0.8482 -0.7799 -0.7799 -0.7249 -0.7249 -0.5695 -0.5695 -0.5188 -0.5188 -0.4921 -0.4921 -0.4252 -0.4252 -0.2728 -0.2728 -0.2587 -0.2587 -0.2268 -0.2268 -0.2090 -0.2090 -0.1825 -0.1825 5.4409 5.4409 k = 0.4867-0.1587 0.4675 ( 12116 PWs) bands (ev): -13.9599 -13.9599 -13.9012 -13.9012 -13.8585 -13.8585 -13.7374 -13.7374 -12.2730 -12.2730 -12.2607 -12.2607 -12.1456 -12.1456 -12.1011 -12.1011 -6.1195 -6.1195 -6.0943 -6.0943 -6.0415 -6.0415 -6.0264 -6.0264 -5.8030 -5.8030 -5.7787 -5.7787 -5.7224 -5.7224 -5.7124 -5.7124 -5.6809 -5.6809 -5.6548 -5.6548 -3.6113 -3.6113 -3.5739 -3.5739 -2.3568 -2.3568 -2.1904 -2.1904 -2.0427 -2.0427 -1.9338 -1.9338 -1.7700 -1.7700 -1.6194 -1.6194 -1.4539 -1.4539 -1.2574 -1.2574 -1.1285 -1.1285 -1.0736 -1.0736 -0.8421 -0.8421 -0.7613 -0.7613 -0.7151 -0.7151 -0.5562 -0.5562 -0.5153 -0.5153 -0.4798 -0.4798 -0.4208 -0.4208 -0.2664 -0.2664 -0.2431 -0.2431 -0.2131 -0.2131 -0.1960 -0.1960 -0.1682 -0.1682 5.4244 5.4244 k = 0.4876-0.1386 0.4565 ( 12124 PWs) bands (ev): -13.9618 -13.9618 -13.8988 -13.8988 -13.8585 -13.8585 -13.7394 -13.7394 -12.2720 -12.2720 -12.2589 -12.2589 -12.1445 -12.1445 -12.1020 -12.1020 -6.1189 -6.1189 -6.0947 -6.0947 -6.0408 -6.0408 -6.0262 -6.0262 -5.8022 -5.8022 -5.7791 -5.7791 -5.7224 -5.7224 -5.7118 -5.7118 -5.6804 -5.6804 -5.6551 -5.6551 -3.6205 -3.6205 -3.5783 -3.5783 -2.3568 -2.3568 -2.2036 -2.2036 -2.0590 -2.0590 -1.9441 -1.9441 -1.7836 -1.7836 -1.6265 -1.6265 -1.4599 -1.4599 -1.2576 -1.2576 -1.1363 -1.1363 -1.0768 -1.0768 -0.8398 -0.8398 -0.7412 -0.7412 -0.7049 -0.7049 -0.5440 -0.5440 -0.5143 -0.5143 -0.4636 -0.4636 -0.4167 -0.4167 -0.2626 -0.2626 -0.2256 -0.2256 -0.2004 -0.2004 -0.1810 -0.1810 -0.1525 -0.1525 5.4067 5.4067 k = 0.4885-0.1184 0.4455 ( 12132 PWs) bands (ev): -13.9637 -13.9637 -13.8964 -13.8964 -13.8584 -13.8584 -13.7415 -13.7415 -12.2709 -12.2709 -12.2570 -12.2570 -12.1433 -12.1433 -12.1031 -12.1031 -6.1184 -6.1184 -6.0953 -6.0953 -6.0400 -6.0400 -6.0260 -6.0260 -5.8015 -5.8015 -5.7796 -5.7796 -5.7223 -5.7223 -5.7112 -5.7112 -5.6799 -5.6799 -5.6554 -5.6554 -3.6299 -3.6299 -3.5829 -3.5829 -2.3560 -2.3560 -2.2166 -2.2166 -2.0755 -2.0755 -1.9538 -1.9538 -1.7973 -1.7973 -1.6369 -1.6369 -1.4663 -1.4663 -1.2564 -1.2564 -1.1424 -1.1424 -1.0778 -1.0778 -0.8398 -0.8398 -0.7212 -0.7212 -0.6948 -0.6948 -0.5335 -0.5335 -0.5135 -0.5135 -0.4458 -0.4458 -0.4126 -0.4126 -0.2590 -0.2590 -0.2092 -0.2092 -0.1887 -0.1887 -0.1643 -0.1643 -0.1357 -0.1357 5.3880 5.3880 k = 0.4894-0.0983 0.4345 ( 12127 PWs) bands (ev): -13.9656 -13.9656 -13.8939 -13.8939 -13.8584 -13.8584 -13.7437 -13.7437 -12.2698 -12.2698 -12.2552 -12.2552 -12.1420 -12.1420 -12.1042 -12.1042 -6.1178 -6.1178 -6.0958 -6.0958 -6.0393 -6.0393 -6.0258 -6.0258 -5.8007 -5.8007 -5.7801 -5.7801 -5.7221 -5.7221 -5.7107 -5.7107 -5.6792 -5.6792 -5.6557 -5.6557 -3.6393 -3.6393 -3.5876 -3.5876 -2.3545 -2.3545 -2.2289 -2.2289 -2.0916 -2.0916 -1.9630 -1.9630 -1.8109 -1.8109 -1.6494 -1.6494 -1.4729 -1.4729 -1.2562 -1.2562 -1.1465 -1.1465 -1.0760 -1.0760 -0.8412 -0.8412 -0.7024 -0.7024 -0.6848 -0.6848 -0.5267 -0.5267 -0.5104 -0.5104 -0.4278 -0.4278 -0.4078 -0.4078 -0.2553 -0.2553 -0.1945 -0.1945 -0.1779 -0.1779 -0.1464 -0.1464 -0.1179 -0.1179 5.3686 5.3686 k = 0.4902-0.0782 0.4234 ( 12117 PWs) bands (ev): -13.9674 -13.9674 -13.8914 -13.8914 -13.8584 -13.8584 -13.7460 -13.7460 -12.2688 -12.2688 -12.2534 -12.2534 -12.1407 -12.1407 -12.1053 -12.1053 -6.1173 -6.1173 -6.0963 -6.0963 -6.0384 -6.0384 -6.0256 -6.0256 -5.8000 -5.8000 -5.7805 -5.7805 -5.7219 -5.7219 -5.7102 -5.7102 -5.6786 -5.6786 -5.6561 -5.6561 -3.6486 -3.6486 -3.5921 -3.5921 -2.3525 -2.3525 -2.2403 -2.2403 -2.1070 -2.1070 -1.9722 -1.9722 -1.8242 -1.8242 -1.6631 -1.6631 -1.4793 -1.4793 -1.2586 -1.2586 -1.1487 -1.1487 -1.0704 -1.0704 -0.8433 -0.8433 -0.6857 -0.6857 -0.6745 -0.6745 -0.5253 -0.5253 -0.5030 -0.5030 -0.4140 -0.4140 -0.3988 -0.3988 -0.2514 -0.2514 -0.1817 -0.1817 -0.1678 -0.1678 -0.1279 -0.1279 -0.0996 -0.0996 5.3488 5.3488 k = 0.4911-0.0580 0.4124 ( 12118 PWs) bands (ev): -13.9692 -13.9692 -13.8889 -13.8889 -13.8583 -13.8583 -13.7482 -13.7482 -12.2677 -12.2677 -12.2517 -12.2517 -12.1394 -12.1394 -12.1065 -12.1065 -6.1167 -6.1167 -6.0969 -6.0969 -6.0376 -6.0376 -6.0254 -6.0254 -5.7992 -5.7992 -5.7810 -5.7810 -5.7216 -5.7216 -5.7097 -5.7097 -5.6780 -5.6780 -5.6564 -5.6564 -3.6576 -3.6576 -3.5966 -3.5966 -2.3503 -2.3503 -2.2502 -2.2502 -2.1215 -2.1215 -1.9815 -1.9815 -1.8371 -1.8371 -1.6772 -1.6772 -1.4851 -1.4851 -1.2642 -1.2642 -1.1499 -1.1499 -1.0608 -1.0608 -0.8458 -0.8458 -0.6721 -0.6721 -0.6631 -0.6631 -0.5269 -0.5269 -0.4938 -0.4938 -0.4082 -0.4082 -0.3823 -0.3823 -0.2474 -0.2474 -0.1704 -0.1704 -0.1584 -0.1584 -0.1096 -0.1096 -0.0811 -0.0811 5.3289 5.3289 k = 0.4920-0.0379 0.4014 ( 12115 PWs) bands (ev): -13.9708 -13.9708 -13.8864 -13.8864 -13.8583 -13.8583 -13.7505 -13.7505 -12.2666 -12.2666 -12.2501 -12.2501 -12.1380 -12.1380 -12.1078 -12.1078 -6.1161 -6.1161 -6.0975 -6.0975 -6.0368 -6.0368 -6.0253 -6.0253 -5.7985 -5.7985 -5.7815 -5.7815 -5.7213 -5.7213 -5.7093 -5.7093 -5.6774 -5.6774 -5.6568 -5.6568 -3.6662 -3.6662 -3.6009 -3.6009 -2.3484 -2.3484 -2.2582 -2.2582 -2.1350 -2.1350 -1.9909 -1.9909 -1.8495 -1.8495 -1.6911 -1.6911 -1.4899 -1.4899 -1.2723 -1.2723 -1.1510 -1.1510 -1.0479 -1.0479 -0.8485 -0.8485 -0.6616 -0.6616 -0.6506 -0.6506 -0.5298 -0.5298 -0.4846 -0.4846 -0.4053 -0.4053 -0.3637 -0.3637 -0.2435 -0.2435 -0.1605 -0.1605 -0.1498 -0.1498 -0.0918 -0.0918 -0.0631 -0.0631 5.3094 5.3094 k = 0.4929-0.0178 0.3904 ( 12109 PWs) bands (ev): -13.9724 -13.9724 -13.8841 -13.8841 -13.8582 -13.8582 -13.7527 -13.7527 -12.2657 -12.2657 -12.2487 -12.2487 -12.1366 -12.1366 -12.1090 -12.1090 -6.1156 -6.1156 -6.0981 -6.0981 -6.0360 -6.0360 -6.0252 -6.0252 -5.7978 -5.7978 -5.7820 -5.7820 -5.7210 -5.7210 -5.7089 -5.7089 -5.6768 -5.6768 -5.6571 -5.6571 -3.6742 -3.6742 -3.6049 -3.6049 -2.3473 -2.3473 -2.2639 -2.2639 -2.1472 -2.1472 -2.0005 -2.0005 -1.8611 -1.8611 -1.7043 -1.7043 -1.4934 -1.4934 -1.2822 -1.2822 -1.1524 -1.1524 -1.0327 -1.0327 -0.8513 -0.8513 -0.6525 -0.6525 -0.6385 -0.6385 -0.5336 -0.5336 -0.4757 -0.4757 -0.4035 -0.4035 -0.3453 -0.3453 -0.2398 -0.2398 -0.1516 -0.1516 -0.1420 -0.1420 -0.0751 -0.0751 -0.0458 -0.0458 5.2907 5.2907 k = 0.4938 0.0024 0.3794 ( 12114 PWs) bands (ev): -13.9738 -13.9738 -13.8819 -13.8819 -13.8580 -13.8580 -13.7548 -13.7548 -12.2647 -12.2647 -12.2473 -12.2473 -12.1352 -12.1352 -12.1103 -12.1103 -6.1150 -6.1150 -6.0987 -6.0987 -6.0353 -6.0353 -6.0252 -6.0252 -5.7971 -5.7971 -5.7826 -5.7826 -5.7206 -5.7206 -5.7086 -5.7086 -5.6763 -5.6763 -5.6575 -5.6575 -3.6816 -3.6816 -3.6086 -3.6086 -2.3472 -2.3472 -2.2670 -2.2670 -2.1582 -2.1582 -2.0100 -2.0100 -1.8720 -1.8720 -1.7165 -1.7165 -1.4955 -1.4955 -1.2930 -1.2930 -1.1540 -1.1540 -1.0166 -1.0166 -0.8539 -0.8539 -0.6440 -0.6440 -0.6276 -0.6276 -0.5379 -0.5379 -0.4676 -0.4676 -0.4025 -0.4025 -0.3278 -0.3278 -0.2363 -0.2363 -0.1439 -0.1439 -0.1352 -0.1352 -0.0597 -0.0597 -0.0297 -0.0297 5.2732 5.2732 k = 0.4947 0.0225 0.3684 ( 12101 PWs) bands (ev): -13.9751 -13.9751 -13.8799 -13.8799 -13.8578 -13.8578 -13.7567 -13.7567 -12.2639 -12.2639 -12.2461 -12.2461 -12.1338 -12.1338 -12.1117 -12.1117 -6.1145 -6.1145 -6.0992 -6.0992 -6.0346 -6.0346 -6.0251 -6.0251 -5.7964 -5.7964 -5.7831 -5.7831 -5.7203 -5.7203 -5.7083 -5.7083 -5.6757 -5.6757 -5.6577 -5.6577 -3.6883 -3.6883 -3.6119 -3.6119 -2.3483 -2.3483 -2.2675 -2.2675 -2.1679 -2.1679 -2.0194 -2.0194 -1.8818 -1.8818 -1.7275 -1.7275 -1.4964 -1.4964 -1.3040 -1.3040 -1.1558 -1.1558 -1.0008 -1.0008 -0.8564 -0.8564 -0.6359 -0.6359 -0.6178 -0.6178 -0.5428 -0.5428 -0.4603 -0.4603 -0.4022 -0.4022 -0.3116 -0.3116 -0.2334 -0.2334 -0.1370 -0.1370 -0.1294 -0.1294 -0.0459 -0.0459 -0.0150 -0.0150 5.2572 5.2572 k = 0.4956 0.0426 0.3573 ( 12107 PWs) bands (ev): -13.9762 -13.9762 -13.8782 -13.8782 -13.8576 -13.8576 -13.7585 -13.7585 -12.2632 -12.2632 -12.2451 -12.2451 -12.1324 -12.1324 -12.1129 -12.1129 -6.1141 -6.1141 -6.0997 -6.0997 -6.0340 -6.0340 -6.0251 -6.0251 -5.7959 -5.7959 -5.7835 -5.7835 -5.7199 -5.7199 -5.7081 -5.7081 -5.6753 -5.6753 -5.6580 -5.6580 -3.6941 -3.6941 -3.6148 -3.6148 -2.3503 -2.3503 -2.2659 -2.2659 -2.1762 -2.1762 -2.0284 -2.0284 -1.8904 -1.8904 -1.7370 -1.7370 -1.4961 -1.4961 -1.3147 -1.3147 -1.1576 -1.1576 -0.9862 -0.9862 -0.8586 -0.8586 -0.6280 -0.6280 -0.6093 -0.6093 -0.5480 -0.5480 -0.4539 -0.4539 -0.4024 -0.4024 -0.2970 -0.2970 -0.2311 -0.2311 -0.1312 -0.1312 -0.1245 -0.1245 -0.0339 -0.0339 -0.0020 -0.0020 5.2430 5.2430 k = 0.4965 0.0628 0.3463 ( 12114 PWs) bands (ev): -13.9771 -13.9771 -13.8767 -13.8767 -13.8574 -13.8574 -13.7600 -13.7600 -12.2625 -12.2625 -12.2442 -12.2442 -12.1311 -12.1311 -12.1142 -12.1142 -6.1137 -6.1137 -6.1002 -6.1002 -6.0334 -6.0334 -6.0251 -6.0251 -5.7954 -5.7954 -5.7840 -5.7840 -5.7197 -5.7197 -5.7079 -5.7079 -5.6749 -5.6749 -5.6583 -5.6583 -3.6989 -3.6989 -3.6172 -3.6172 -2.3526 -2.3526 -2.2629 -2.2629 -2.1832 -2.1832 -2.0366 -2.0366 -1.8977 -1.8977 -1.7450 -1.7450 -1.4950 -1.4950 -1.3245 -1.3245 -1.1592 -1.1592 -0.9734 -0.9734 -0.8605 -0.8605 -0.6204 -0.6204 -0.6022 -0.6022 -0.5535 -0.5535 -0.4486 -0.4486 -0.4030 -0.4030 -0.2842 -0.2842 -0.2295 -0.2295 -0.1262 -0.1262 -0.1207 -0.1207 -0.0238 -0.0238 0.0089 0.0089 5.2311 5.2311 k = 0.4973 0.0829 0.3353 ( 12127 PWs) bands (ev): -13.9779 -13.9779 -13.8756 -13.8756 -13.8572 -13.8572 -13.7613 -13.7613 -12.2621 -12.2621 -12.2435 -12.2435 -12.1299 -12.1299 -12.1154 -12.1154 -6.1134 -6.1134 -6.1006 -6.1006 -6.0330 -6.0330 -6.0252 -6.0252 -5.7950 -5.7950 -5.7843 -5.7843 -5.7195 -5.7195 -5.7078 -5.7078 -5.6745 -5.6745 -5.6585 -5.6585 -3.7028 -3.7028 -3.6192 -3.6192 -2.3550 -2.3550 -2.2594 -2.2594 -2.1888 -2.1888 -2.0436 -2.0436 -1.9035 -1.9035 -1.7514 -1.7514 -1.4934 -1.4934 -1.3329 -1.3329 -1.1605 -1.1605 -0.9630 -0.9630 -0.8620 -0.8620 -0.6132 -0.6132 -0.5966 -0.5966 -0.5589 -0.5589 -0.4442 -0.4442 -0.4040 -0.4040 -0.2735 -0.2735 -0.2287 -0.2287 -0.1222 -0.1222 -0.1179 -0.1179 -0.0159 -0.0159 0.0176 0.0176 5.2215 5.2215 k = 0.4982 0.1031 0.3243 ( 12134 PWs) bands (ev): -13.9784 -13.9784 -13.8748 -13.8748 -13.8570 -13.8570 -13.7622 -13.7622 -12.2617 -12.2617 -12.2430 -12.2430 -12.1288 -12.1288 -12.1163 -12.1163 -6.1131 -6.1131 -6.1009 -6.1009 -6.0327 -6.0327 -6.0252 -6.0252 -5.7946 -5.7946 -5.7846 -5.7846 -5.7193 -5.7193 -5.7077 -5.7077 -5.6743 -5.6743 -5.6587 -5.6587 -3.7056 -3.7056 -3.6206 -3.6206 -2.3568 -2.3568 -2.2562 -2.2562 -2.1929 -2.1929 -2.0491 -2.0491 -1.9077 -1.9077 -1.7559 -1.7559 -1.4918 -1.4918 -1.3395 -1.3395 -1.1615 -1.1615 -0.9553 -0.9553 -0.8632 -0.8632 -0.6066 -0.6066 -0.5928 -0.5928 -0.5638 -0.5638 -0.4411 -0.4411 -0.4049 -0.4049 -0.2652 -0.2652 -0.2286 -0.2286 -0.1191 -0.1191 -0.1161 -0.1161 -0.0101 -0.0101 0.0240 0.0240 5.2145 5.2145 k = 0.4991 0.1232 0.3133 ( 12136 PWs) bands (ev): -13.9787 -13.9787 -13.8743 -13.8743 -13.8569 -13.8569 -13.7628 -13.7628 -12.2615 -12.2615 -12.2427 -12.2427 -12.1281 -12.1281 -12.1170 -12.1170 -6.1130 -6.1130 -6.1010 -6.1010 -6.0325 -6.0325 -6.0252 -6.0252 -5.7945 -5.7945 -5.7848 -5.7848 -5.7192 -5.7192 -5.7076 -5.7076 -5.6742 -5.6742 -5.6588 -5.6588 -3.7073 -3.7073 -3.6214 -3.6214 -2.3581 -2.3581 -2.2539 -2.2539 -2.1955 -2.1955 -2.0525 -2.0525 -1.9103 -1.9103 -1.7587 -1.7587 -1.4906 -1.4906 -1.3436 -1.3436 -1.1621 -1.1621 -0.9507 -0.9507 -0.8639 -0.8639 -0.6012 -0.6012 -0.5912 -0.5912 -0.5675 -0.5675 -0.4391 -0.4391 -0.4056 -0.4056 -0.2598 -0.2598 -0.2288 -0.2288 -0.1169 -0.1169 -0.1154 -0.1154 -0.0067 -0.0067 0.0279 0.0279 5.2103 5.2103 k = 0.5000 0.1433 0.3022 ( 12128 PWs) bands (ev): -13.9788 -13.9788 -13.8741 -13.8741 -13.8569 -13.8569 -13.7630 -13.7630 -12.2614 -12.2614 -12.2426 -12.2426 -12.1279 -12.1279 -12.1172 -12.1172 -6.1129 -6.1129 -6.1011 -6.1011 -6.0324 -6.0324 -6.0253 -6.0253 -5.7944 -5.7944 -5.7848 -5.7848 -5.7191 -5.7191 -5.7076 -5.7076 -5.6741 -5.6741 -5.6589 -5.6589 -3.7078 -3.7078 -3.6217 -3.6217 -2.3585 -2.3585 -2.2530 -2.2530 -2.1964 -2.1964 -2.0537 -2.0537 -1.9111 -1.9111 -1.7596 -1.7596 -1.4902 -1.4902 -1.3450 -1.3450 -1.1623 -1.1623 -0.9491 -0.9491 -0.8642 -0.8642 -0.5988 -0.5988 -0.5911 -0.5911 -0.5688 -0.5688 -0.4384 -0.4384 -0.4059 -0.4059 -0.2579 -0.2579 -0.2290 -0.2290 -0.1160 -0.1160 -0.1154 -0.1154 -0.0055 -0.0055 0.0292 0.0292 5.2089 5.2089 k = 0.5000 0.1433 0.3022 ( 12128 PWs) bands (ev): -13.9788 -13.9788 -13.8741 -13.8741 -13.8569 -13.8569 -13.7630 -13.7630 -12.2614 -12.2614 -12.2426 -12.2426 -12.1279 -12.1279 -12.1172 -12.1172 -6.1129 -6.1129 -6.1011 -6.1011 -6.0324 -6.0324 -6.0253 -6.0253 -5.7944 -5.7944 -5.7848 -5.7848 -5.7191 -5.7191 -5.7076 -5.7076 -5.6741 -5.6741 -5.6589 -5.6589 -3.7078 -3.7078 -3.6217 -3.6217 -2.3585 -2.3585 -2.2530 -2.2530 -2.1964 -2.1964 -2.0537 -2.0537 -1.9111 -1.9111 -1.7596 -1.7596 -1.4902 -1.4902 -1.3450 -1.3450 -1.1623 -1.1623 -0.9491 -0.9491 -0.8642 -0.8642 -0.5988 -0.5988 -0.5911 -0.5911 -0.5688 -0.5688 -0.4384 -0.4384 -0.4059 -0.4059 -0.2579 -0.2579 -0.2290 -0.2290 -0.1160 -0.1160 -0.1154 -0.1154 -0.0055 -0.0055 0.0292 0.0292 5.2089 5.2089 k = 0.4875 0.1527 0.3185 ( 12116 PWs) bands (ev): -13.9787 -13.9787 -13.8743 -13.8743 -13.8568 -13.8568 -13.7631 -13.7631 -12.2614 -12.2614 -12.2426 -12.2426 -12.1279 -12.1279 -12.1173 -12.1173 -6.1129 -6.1129 -6.1011 -6.1011 -6.0324 -6.0324 -6.0252 -6.0252 -5.7944 -5.7944 -5.7848 -5.7848 -5.7191 -5.7191 -5.7076 -5.7076 -5.6741 -5.6741 -5.6589 -5.6589 -3.7076 -3.7076 -3.6217 -3.6217 -2.3580 -2.3580 -2.2533 -2.2533 -2.1956 -2.1956 -2.0531 -2.0531 -1.9101 -1.9101 -1.7593 -1.7593 -1.4909 -1.4909 -1.3460 -1.3460 -1.1645 -1.1645 -0.9518 -0.9518 -0.8622 -0.8622 -0.6037 -0.6037 -0.5866 -0.5866 -0.5686 -0.5686 -0.4371 -0.4371 -0.4051 -0.4051 -0.2580 -0.2580 -0.2291 -0.2291 -0.1172 -0.1172 -0.1147 -0.1147 -0.0059 -0.0059 0.0287 0.0287 5.2096 5.2096 k = 0.4750 0.1622 0.3347 ( 12124 PWs) bands (ev): -13.9782 -13.9782 -13.8747 -13.8747 -13.8564 -13.8564 -13.7636 -13.7636 -12.2613 -12.2613 -12.2427 -12.2427 -12.1278 -12.1278 -12.1173 -12.1173 -6.1129 -6.1129 -6.1011 -6.1011 -6.0324 -6.0324 -6.0252 -6.0252 -5.7945 -5.7945 -5.7847 -5.7847 -5.7191 -5.7191 -5.7076 -5.7076 -5.6740 -5.6740 -5.6590 -5.6590 -3.7070 -3.7070 -3.6218 -3.6218 -2.3565 -2.3565 -2.2539 -2.2539 -2.1933 -2.1933 -2.0513 -2.0513 -1.9069 -1.9069 -1.7585 -1.7585 -1.4932 -1.4932 -1.3491 -1.3491 -1.1709 -1.1709 -0.9593 -0.9593 -0.8568 -0.8568 -0.6107 -0.6107 -0.5819 -0.5819 -0.5664 -0.5664 -0.4331 -0.4331 -0.4028 -0.4028 -0.2584 -0.2584 -0.2292 -0.2292 -0.1194 -0.1194 -0.1144 -0.1144 -0.0073 -0.0073 0.0272 0.0272 5.2118 5.2118 k = 0.4625 0.1716 0.3509 ( 12126 PWs) bands (ev): -13.9774 -13.9774 -13.8754 -13.8754 -13.8558 -13.8558 -13.7643 -13.7643 -12.2611 -12.2611 -12.2428 -12.2428 -12.1278 -12.1278 -12.1174 -12.1174 -6.1128 -6.1128 -6.1011 -6.1011 -6.0324 -6.0324 -6.0252 -6.0252 -5.7945 -5.7945 -5.7846 -5.7846 -5.7190 -5.7190 -5.7076 -5.7076 -5.6739 -5.6739 -5.6591 -5.6591 -3.7060 -3.7060 -3.6219 -3.6219 -2.3540 -2.3540 -2.2549 -2.2549 -2.1896 -2.1896 -2.0482 -2.0482 -1.9016 -1.9016 -1.7571 -1.7571 -1.4969 -1.4969 -1.3540 -1.3540 -1.1814 -1.1814 -0.9704 -0.9704 -0.8495 -0.8495 -0.6175 -0.6175 -0.5816 -0.5816 -0.5599 -0.5599 -0.4270 -0.4270 -0.3989 -0.3989 -0.2590 -0.2590 -0.2293 -0.2293 -0.1222 -0.1222 -0.1147 -0.1147 -0.0095 -0.0095 0.0247 0.0247 5.2155 5.2155 k = 0.4500 0.1810 0.3671 ( 12136 PWs) bands (ev): -13.9763 -13.9763 -13.8764 -13.8764 -13.8550 -13.8550 -13.7654 -13.7654 -12.2609 -12.2609 -12.2430 -12.2430 -12.1277 -12.1277 -12.1175 -12.1175 -6.1128 -6.1128 -6.1012 -6.1012 -6.0324 -6.0324 -6.0252 -6.0252 -5.7947 -5.7947 -5.7845 -5.7845 -5.7190 -5.7190 -5.7077 -5.7077 -5.6737 -5.6737 -5.6594 -5.6594 -3.7046 -3.7046 -3.6221 -3.6221 -2.3508 -2.3508 -2.2562 -2.2562 -2.1843 -2.1843 -2.0439 -2.0439 -1.8942 -1.8942 -1.7553 -1.7553 -1.5020 -1.5020 -1.3609 -1.3609 -1.1956 -1.1956 -0.9840 -0.9840 -0.8414 -0.8414 -0.6239 -0.6239 -0.5838 -0.5838 -0.5507 -0.5507 -0.4192 -0.4192 -0.3936 -0.3936 -0.2598 -0.2598 -0.2295 -0.2295 -0.1255 -0.1255 -0.1155 -0.1155 -0.0126 -0.0126 0.0212 0.0212 5.2205 5.2205 k = 0.4375 0.1904 0.3833 ( 12138 PWs) bands (ev): -13.9749 -13.9749 -13.8777 -13.8777 -13.8539 -13.8539 -13.7667 -13.7667 -12.2606 -12.2606 -12.2432 -12.2432 -12.1275 -12.1275 -12.1177 -12.1177 -6.1128 -6.1128 -6.1012 -6.1012 -6.0325 -6.0325 -6.0251 -6.0251 -5.7948 -5.7948 -5.7843 -5.7843 -5.7189 -5.7189 -5.7077 -5.7077 -5.6736 -5.6736 -5.6596 -5.6596 -3.7028 -3.7028 -3.6224 -3.6224 -2.3469 -2.3469 -2.2577 -2.2577 -2.1776 -2.1776 -2.0382 -2.0382 -1.8849 -1.8849 -1.7532 -1.7532 -1.5082 -1.5082 -1.3694 -1.3694 -1.2131 -1.2131 -0.9995 -0.9995 -0.8333 -0.8333 -0.6300 -0.6300 -0.5866 -0.5866 -0.5407 -0.5407 -0.4101 -0.4101 -0.3868 -0.3868 -0.2606 -0.2606 -0.2297 -0.2297 -0.1293 -0.1293 -0.1168 -0.1168 -0.0166 -0.0166 0.0168 0.0168 5.2268 5.2268 k = 0.4250 0.1998 0.3995 ( 12128 PWs) bands (ev): -13.9732 -13.9732 -13.8793 -13.8793 -13.8525 -13.8525 -13.7683 -13.7683 -12.2603 -12.2603 -12.2435 -12.2435 -12.1274 -12.1274 -12.1178 -12.1178 -6.1127 -6.1127 -6.1013 -6.1013 -6.0326 -6.0326 -6.0251 -6.0251 -5.7949 -5.7949 -5.7841 -5.7841 -5.7188 -5.7188 -5.7078 -5.7078 -5.6734 -5.6734 -5.6599 -5.6599 -3.7006 -3.7006 -3.6228 -3.6228 -2.3424 -2.3424 -2.2594 -2.2594 -2.1693 -2.1693 -2.0312 -2.0312 -1.8737 -1.8737 -1.7509 -1.7509 -1.5155 -1.5155 -1.3795 -1.3795 -1.2334 -1.2334 -1.0167 -1.0167 -0.8259 -0.8259 -0.6358 -0.6358 -0.5892 -0.5892 -0.5302 -0.5302 -0.4000 -0.4000 -0.3788 -0.3788 -0.2614 -0.2614 -0.2297 -0.2297 -0.1336 -0.1336 -0.1186 -0.1186 -0.0213 -0.0213 0.0115 0.0115 5.2342 5.2342 k = 0.4125 0.2093 0.4157 ( 12124 PWs) bands (ev): -13.9712 -13.9712 -13.8813 -13.8813 -13.8509 -13.8509 -13.7702 -13.7702 -12.2599 -12.2599 -12.2439 -12.2439 -12.1272 -12.1272 -12.1181 -12.1181 -6.1126 -6.1126 -6.1014 -6.1014 -6.0326 -6.0326 -6.0250 -6.0250 -5.7951 -5.7951 -5.7839 -5.7839 -5.7187 -5.7187 -5.7079 -5.7079 -5.6731 -5.6731 -5.6602 -5.6602 -3.6981 -3.6981 -3.6232 -3.6232 -2.3376 -2.3376 -2.2613 -2.2613 -2.1595 -2.1595 -2.0228 -2.0228 -1.8608 -1.8608 -1.7487 -1.7487 -1.5234 -1.5234 -1.3911 -1.3911 -1.2559 -1.2559 -1.0354 -1.0354 -0.8193 -0.8193 -0.6416 -0.6416 -0.5908 -0.5908 -0.5196 -0.5196 -0.3895 -0.3895 -0.3697 -0.3697 -0.2620 -0.2620 -0.2297 -0.2297 -0.1383 -0.1383 -0.1208 -0.1208 -0.0269 -0.0269 0.0053 0.0053 5.2427 5.2427 k = 0.4000 0.2187 0.4319 ( 12116 PWs) bands (ev): -13.9689 -13.9689 -13.8836 -13.8836 -13.8489 -13.8489 -13.7723 -13.7723 -12.2595 -12.2595 -12.2442 -12.2442 -12.1269 -12.1269 -12.1183 -12.1183 -6.1125 -6.1125 -6.1015 -6.1015 -6.0327 -6.0327 -6.0249 -6.0249 -5.7952 -5.7952 -5.7837 -5.7837 -5.7185 -5.7185 -5.7080 -5.7080 -5.6728 -5.6728 -5.6606 -5.6606 -3.6953 -3.6953 -3.6239 -3.6239 -2.3326 -2.3326 -2.2634 -2.2634 -2.1481 -2.1481 -2.0129 -2.0129 -1.8464 -1.8464 -1.7469 -1.7469 -1.5317 -1.5317 -1.4040 -1.4040 -1.2800 -1.2800 -1.0554 -1.0554 -0.8138 -0.8138 -0.6477 -0.6477 -0.5910 -0.5910 -0.5091 -0.5091 -0.3788 -0.3788 -0.3598 -0.3598 -0.2622 -0.2622 -0.2295 -0.2295 -0.1433 -0.1433 -0.1233 -0.1233 -0.0332 -0.0332 -0.0017 -0.0017 5.2520 5.2520 k = 0.3875 0.2281 0.4481 ( 12108 PWs) bands (ev): -13.9664 -13.9664 -13.8861 -13.8861 -13.8468 -13.8468 -13.7747 -13.7747 -12.2590 -12.2590 -12.2447 -12.2447 -12.1267 -12.1267 -12.1186 -12.1186 -6.1124 -6.1124 -6.1016 -6.1016 -6.0328 -6.0328 -6.0248 -6.0248 -5.7954 -5.7954 -5.7835 -5.7835 -5.7184 -5.7184 -5.7081 -5.7081 -5.6725 -5.6725 -5.6610 -5.6610 -3.6922 -3.6922 -3.6247 -3.6247 -2.3276 -2.3276 -2.2655 -2.2655 -2.1349 -2.1349 -2.0016 -2.0016 -1.8310 -1.8310 -1.7457 -1.7457 -1.5400 -1.5400 -1.4181 -1.4181 -1.3050 -1.3050 -1.0768 -1.0768 -0.8094 -0.8094 -0.6544 -0.6544 -0.5895 -0.5895 -0.4990 -0.4990 -0.3681 -0.3681 -0.3492 -0.3492 -0.2619 -0.2619 -0.2291 -0.2291 -0.1485 -0.1485 -0.1260 -0.1260 -0.0402 -0.0402 -0.0095 -0.0095 5.2620 5.2620 k = 0.3750 0.2375 0.4644 ( 12102 PWs) bands (ev): -13.9636 -13.9636 -13.8889 -13.8889 -13.8444 -13.8444 -13.7773 -13.7773 -12.2585 -12.2585 -12.2451 -12.2451 -12.1264 -12.1264 -12.1189 -12.1189 -6.1123 -6.1123 -6.1016 -6.1016 -6.0329 -6.0329 -6.0247 -6.0247 -5.7955 -5.7955 -5.7833 -5.7833 -5.7182 -5.7182 -5.7082 -5.7082 -5.6721 -5.6721 -5.6615 -5.6615 -3.6889 -3.6889 -3.6256 -3.6256 -2.3228 -2.3228 -2.2677 -2.2677 -2.1202 -2.1202 -1.9887 -1.9887 -1.8150 -1.8150 -1.7455 -1.7455 -1.5478 -1.5478 -1.4335 -1.4335 -1.3299 -1.3299 -1.0996 -1.0996 -0.8059 -0.8059 -0.6618 -0.6618 -0.5861 -0.5861 -0.4895 -0.4895 -0.3578 -0.3578 -0.3382 -0.3382 -0.2609 -0.2609 -0.2284 -0.2284 -0.1537 -0.1537 -0.1288 -0.1288 -0.0478 -0.0478 -0.0179 -0.0179 5.2726 5.2726 k = 0.3625 0.2470 0.4806 ( 12096 PWs) bands (ev): -13.9606 -13.9606 -13.8920 -13.8920 -13.8417 -13.8417 -13.7801 -13.7801 -12.2579 -12.2579 -12.2456 -12.2456 -12.1261 -12.1261 -12.1192 -12.1192 -6.1122 -6.1122 -6.1017 -6.1017 -6.0330 -6.0330 -6.0246 -6.0246 -5.7957 -5.7957 -5.7831 -5.7831 -5.7180 -5.7180 -5.7083 -5.7083 -5.6717 -5.6717 -5.6620 -5.6620 -3.6854 -3.6854 -3.6268 -3.6268 -2.3182 -2.3182 -2.2700 -2.2700 -2.1037 -2.1037 -1.9743 -1.9743 -1.7997 -1.7997 -1.7460 -1.7460 -1.5549 -1.5549 -1.4498 -1.4498 -1.3540 -1.3540 -1.1236 -1.1236 -0.8030 -0.8030 -0.6701 -0.6701 -0.5808 -0.5808 -0.4811 -0.4811 -0.3478 -0.3478 -0.3269 -0.3269 -0.2591 -0.2591 -0.2274 -0.2274 -0.1590 -0.1590 -0.1316 -0.1316 -0.0561 -0.0561 -0.0270 -0.0270 5.2835 5.2835 k = 0.3500 0.2564 0.4968 ( 12102 PWs) bands (ev): -13.9574 -13.9574 -13.8952 -13.8952 -13.8389 -13.8389 -13.7831 -13.7831 -12.2573 -12.2573 -12.2462 -12.2462 -12.1258 -12.1258 -12.1195 -12.1195 -6.1122 -6.1122 -6.1019 -6.1019 -6.0331 -6.0331 -6.0245 -6.0245 -5.7958 -5.7958 -5.7829 -5.7829 -5.7179 -5.7179 -5.7085 -5.7085 -5.6713 -5.6713 -5.6625 -5.6625 -3.6817 -3.6817 -3.6282 -3.6282 -2.3140 -2.3140 -2.2724 -2.2724 -2.0858 -2.0858 -1.9585 -1.9585 -1.7875 -1.7875 -1.7456 -1.7456 -1.5614 -1.5614 -1.4666 -1.4666 -1.3759 -1.3759 -1.1488 -1.1488 -0.8004 -0.8004 -0.6791 -0.6791 -0.5740 -0.5740 -0.4741 -0.4741 -0.3383 -0.3383 -0.3156 -0.3156 -0.2564 -0.2564 -0.2261 -0.2261 -0.1641 -0.1641 -0.1343 -0.1343 -0.0650 -0.0650 -0.0365 -0.0365 5.2946 5.2946 k = 0.3375 0.2658 0.5130 ( 12100 PWs) bands (ev): -13.9540 -13.9540 -13.8987 -13.8987 -13.8359 -13.8359 -13.7862 -13.7862 -12.2566 -12.2566 -12.2468 -12.2468 -12.1255 -12.1255 -12.1199 -12.1199 -6.1121 -6.1121 -6.1020 -6.1020 -6.0331 -6.0331 -6.0244 -6.0244 -5.7959 -5.7959 -5.7827 -5.7827 -5.7177 -5.7177 -5.7086 -5.7086 -5.6709 -5.6709 -5.6630 -5.6630 -3.6779 -3.6779 -3.6298 -3.6298 -2.3101 -2.3101 -2.2747 -2.2747 -2.0665 -2.0665 -1.9411 -1.9411 -1.7831 -1.7831 -1.7407 -1.7407 -1.5678 -1.5678 -1.4832 -1.4832 -1.3947 -1.3947 -1.1750 -1.1750 -0.7977 -0.7977 -0.6887 -0.6887 -0.5660 -0.5660 -0.4688 -0.4688 -0.3290 -0.3290 -0.3045 -0.3045 -0.2531 -0.2531 -0.2245 -0.2245 -0.1688 -0.1688 -0.1366 -0.1366 -0.0743 -0.0743 -0.0464 -0.0464 5.3057 5.3057 k = 0.3250 0.2752 0.5292 ( 12098 PWs) bands (ev): -13.9504 -13.9504 -13.9024 -13.9024 -13.8327 -13.8327 -13.7895 -13.7895 -12.2560 -12.2560 -12.2474 -12.2474 -12.1251 -12.1251 -12.1202 -12.1202 -6.1120 -6.1120 -6.1021 -6.1021 -6.0332 -6.0332 -6.0244 -6.0244 -5.7961 -5.7961 -5.7826 -5.7826 -5.7175 -5.7175 -5.7087 -5.7087 -5.6704 -5.6704 -5.6636 -5.6636 -3.6741 -3.6741 -3.6316 -3.6316 -2.3066 -2.3066 -2.2771 -2.2771 -2.0460 -2.0460 -1.9225 -1.9225 -1.7878 -1.7878 -1.7311 -1.7311 -1.5752 -1.5752 -1.4981 -1.4981 -1.4091 -1.4091 -1.2020 -1.2020 -0.7946 -0.7946 -0.6988 -0.6988 -0.5571 -0.5571 -0.4655 -0.4655 -0.3200 -0.3200 -0.2940 -0.2940 -0.2493 -0.2493 -0.2229 -0.2229 -0.1729 -0.1729 -0.1382 -0.1382 -0.0841 -0.0841 -0.0565 -0.0565 5.3166 5.3166 k = 0.3125 0.2846 0.5454 ( 12106 PWs) bands (ev): -13.9467 -13.9467 -13.9062 -13.9062 -13.8293 -13.8293 -13.7930 -13.7930 -12.2553 -12.2553 -12.2480 -12.2480 -12.1247 -12.1247 -12.1206 -12.1206 -6.1119 -6.1119 -6.1022 -6.1022 -6.0333 -6.0333 -6.0243 -6.0243 -5.7962 -5.7962 -5.7824 -5.7824 -5.7174 -5.7174 -5.7088 -5.7088 -5.6699 -5.6699 -5.6642 -5.6642 -3.6703 -3.6703 -3.6336 -3.6336 -2.3034 -2.3034 -2.2794 -2.2794 -2.0247 -2.0247 -1.9029 -1.9029 -1.7980 -1.7980 -1.7217 -1.7217 -1.5836 -1.5836 -1.5108 -1.5108 -1.4178 -1.4178 -1.2296 -1.2296 -0.7910 -0.7910 -0.7091 -0.7091 -0.5477 -0.5477 -0.4642 -0.4642 -0.3113 -0.3113 -0.2841 -0.2841 -0.2456 -0.2456 -0.2216 -0.2216 -0.1756 -0.1756 -0.1390 -0.1390 -0.0941 -0.0941 -0.0667 -0.0667 5.3271 5.3271 k = 0.3000 0.2941 0.5616 ( 12110 PWs) bands (ev): -13.9428 -13.9428 -13.9101 -13.9101 -13.8259 -13.8259 -13.7965 -13.7965 -12.2546 -12.2546 -12.2487 -12.2487 -12.1244 -12.1244 -12.1210 -12.1210 -6.1118 -6.1118 -6.1023 -6.1023 -6.0334 -6.0334 -6.0243 -6.0243 -5.7962 -5.7962 -5.7823 -5.7823 -5.7173 -5.7173 -5.7090 -5.7090 -5.6694 -5.6694 -5.6648 -5.6648 -3.6665 -3.6665 -3.6358 -3.6358 -2.3005 -2.3005 -2.2817 -2.2817 -2.0029 -2.0029 -1.8832 -1.8832 -1.8103 -1.8103 -1.7173 -1.7173 -1.5909 -1.5909 -1.5218 -1.5218 -1.4195 -1.4195 -1.2574 -1.2574 -0.7865 -0.7865 -0.7195 -0.7195 -0.5383 -0.5383 -0.4648 -0.4648 -0.3029 -0.3029 -0.2752 -0.2752 -0.2422 -0.2422 -0.2215 -0.2215 -0.1764 -0.1764 -0.1387 -0.1387 -0.1043 -0.1043 -0.0766 -0.0766 5.3370 5.3370 k = 0.2875 0.3035 0.5778 ( 12112 PWs) bands (ev): -13.9388 -13.9388 -13.9141 -13.9141 -13.8223 -13.8223 -13.8001 -13.8001 -12.2538 -12.2538 -12.2494 -12.2494 -12.1240 -12.1240 -12.1214 -12.1214 -6.1118 -6.1118 -6.1023 -6.1023 -6.0334 -6.0334 -6.0243 -6.0243 -5.7963 -5.7963 -5.7822 -5.7822 -5.7173 -5.7173 -5.7091 -5.7091 -5.6689 -5.6689 -5.6654 -5.6654 -3.6629 -3.6629 -3.6382 -3.6382 -2.2978 -2.2978 -2.2839 -2.2839 -1.9810 -1.9810 -1.8672 -1.8672 -1.8199 -1.8199 -1.7212 -1.7212 -1.5935 -1.5935 -1.5328 -1.5328 -1.4140 -1.4140 -1.2851 -1.2851 -0.7813 -0.7813 -0.7297 -0.7297 -0.5294 -0.5294 -0.4669 -0.4669 -0.2955 -0.2955 -0.2672 -0.2672 -0.2395 -0.2395 -0.2230 -0.2230 -0.1746 -0.1746 -0.1373 -0.1373 -0.1144 -0.1144 -0.0860 -0.0860 5.3462 5.3462 k = 0.2750 0.3129 0.5941 ( 12120 PWs) bands (ev): -13.9348 -13.9348 -13.9182 -13.9182 -13.8187 -13.8187 -13.8038 -13.8038 -12.2531 -12.2531 -12.2501 -12.2501 -12.1235 -12.1235 -12.1219 -12.1219 -6.1117 -6.1117 -6.1024 -6.1024 -6.0335 -6.0335 -6.0242 -6.0242 -5.7964 -5.7964 -5.7822 -5.7822 -5.7172 -5.7172 -5.7091 -5.7091 -5.6683 -5.6683 -5.6660 -5.6660 -3.6597 -3.6597 -3.6405 -3.6405 -2.2954 -2.2954 -2.2861 -2.2861 -1.9601 -1.9601 -1.8653 -1.8653 -1.8154 -1.8154 -1.7338 -1.7338 -1.5898 -1.5898 -1.5445 -1.5445 -1.4020 -1.4020 -1.3121 -1.3121 -0.7752 -0.7752 -0.7394 -0.7394 -0.5216 -0.5216 -0.4699 -0.4699 -0.2894 -0.2894 -0.2602 -0.2602 -0.2375 -0.2375 -0.2262 -0.2262 -0.1704 -0.1704 -0.1354 -0.1354 -0.1234 -0.1234 -0.0944 -0.0944 5.3544 5.3544 k = 0.2625 0.3223 0.6103 ( 12126 PWs) bands (ev): -13.9307 -13.9307 -13.9224 -13.9224 -13.8150 -13.8150 -13.8075 -13.8075 -12.2523 -12.2523 -12.2509 -12.2509 -12.1231 -12.1231 -12.1223 -12.1223 -6.1117 -6.1117 -6.1024 -6.1024 -6.0335 -6.0335 -6.0242 -6.0242 -5.7964 -5.7964 -5.7822 -5.7822 -5.7172 -5.7172 -5.7092 -5.7092 -5.6678 -5.6678 -5.6666 -5.6666 -3.6573 -3.6573 -3.6423 -3.6423 -2.2931 -2.2931 -2.2883 -2.2883 -1.9422 -1.9422 -1.8755 -1.8755 -1.7970 -1.7970 -1.7527 -1.7527 -1.5814 -1.5814 -1.5565 -1.5565 -1.3851 -1.3851 -1.3375 -1.3375 -0.7688 -0.7688 -0.7480 -0.7480 -0.5159 -0.5159 -0.4727 -0.4727 -0.2855 -0.2855 -0.2548 -0.2548 -0.2363 -0.2363 -0.2298 -0.2298 -0.1654 -0.1654 -0.1357 -0.1357 -0.1283 -0.1283 -0.1008 -0.1008 5.3610 5.3610 k = 0.2500 0.3317 0.6265 ( 12124 PWs) bands (ev): -13.9265 -13.9265 -13.9265 -13.9265 -13.8113 -13.8113 -13.8112 -13.8112 -12.2516 -12.2516 -12.2516 -12.2516 -12.1227 -12.1227 -12.1227 -12.1227 -6.1117 -6.1117 -6.1025 -6.1025 -6.0335 -6.0335 -6.0242 -6.0242 -5.7964 -5.7964 -5.7821 -5.7821 -5.7172 -5.7172 -5.7092 -5.7092 -5.6672 -5.6672 -5.6671 -5.6671 -3.6563 -3.6563 -3.6431 -3.6431 -2.2916 -2.2916 -2.2897 -2.2897 -1.9338 -1.9338 -1.8820 -1.8820 -1.7754 -1.7754 -1.7740 -1.7740 -1.5734 -1.5734 -1.5655 -1.5655 -1.3699 -1.3699 -1.3554 -1.3554 -0.7648 -0.7648 -0.7528 -0.7528 -0.5137 -0.5137 -0.4739 -0.4739 -0.2841 -0.2841 -0.2524 -0.2524 -0.2358 -0.2358 -0.2318 -0.2318 -0.1628 -0.1628 -0.1380 -0.1380 -0.1282 -0.1282 -0.1033 -0.1033 5.3641 5.3641 k = 0.4402-0.3317 0.6265 ( 12068 PWs) bands (ev): -13.9469 -13.9469 -13.9174 -13.9174 -13.8568 -13.8568 -13.7267 -13.7267 -12.2770 -12.2770 -12.2740 -12.2740 -12.1512 -12.1512 -12.0962 -12.0962 -6.1225 -6.1225 -6.0916 -6.0916 -6.0452 -6.0452 -6.0278 -6.0278 -5.8071 -5.8071 -5.7761 -5.7761 -5.7200 -5.7200 -5.7179 -5.7179 -5.6837 -5.6837 -5.6535 -5.6535 -3.5583 -3.5583 -3.5561 -3.5561 -2.3257 -2.3257 -2.1031 -2.1031 -1.9432 -1.9432 -1.8353 -1.8353 -1.6969 -1.6969 -1.6316 -1.6316 -1.4132 -1.4132 -1.1612 -1.1612 -1.0896 -1.0896 -1.0103 -1.0103 -0.9831 -0.9831 -0.8811 -0.8811 -0.7866 -0.7866 -0.6474 -0.6474 -0.5597 -0.5597 -0.4973 -0.4973 -0.4731 -0.4731 -0.3507 -0.3507 -0.3294 -0.3294 -0.2682 -0.2682 -0.2661 -0.2661 -0.2522 -0.2522 5.5032 5.5032 k = 0.4527-0.3412 0.6102 ( 12076 PWs) bands (ev): -13.9476 -13.9476 -13.9163 -13.9163 -13.8574 -13.8574 -13.7260 -13.7260 -12.2773 -12.2773 -12.2743 -12.2743 -12.1516 -12.1516 -12.0959 -12.0959 -6.1226 -6.1226 -6.0917 -6.0917 -6.0453 -6.0453 -6.0279 -6.0279 -5.8072 -5.8072 -5.7762 -5.7762 -5.7200 -5.7200 -5.7180 -5.7180 -5.6839 -5.6839 -5.6533 -5.6533 -3.5563 -3.5563 -3.5524 -3.5524 -2.3219 -2.3219 -2.1030 -2.1030 -1.9413 -1.9413 -1.8373 -1.8373 -1.6985 -1.6985 -1.6369 -1.6369 -1.4166 -1.4166 -1.1545 -1.1545 -1.0859 -1.0859 -1.0038 -1.0038 -0.9760 -0.9760 -0.8852 -0.8852 -0.7613 -0.7613 -0.6635 -0.6635 -0.5726 -0.5726 -0.5059 -0.5059 -0.4790 -0.4790 -0.3513 -0.3513 -0.3285 -0.3285 -0.2715 -0.2715 -0.2687 -0.2687 -0.2550 -0.2550 5.5129 5.5129 k = 0.4653-0.3506 0.5939 ( 12080 PWs) bands (ev): -13.9480 -13.9480 -13.9156 -13.9156 -13.8578 -13.8578 -13.7257 -13.7257 -12.2775 -12.2775 -12.2745 -12.2745 -12.1518 -12.1518 -12.0957 -12.0957 -6.1227 -6.1227 -6.0917 -6.0917 -6.0454 -6.0454 -6.0280 -6.0280 -5.8072 -5.8072 -5.7763 -5.7763 -5.7200 -5.7200 -5.7181 -5.7181 -5.6840 -5.6840 -5.6532 -5.6532 -3.5552 -3.5552 -3.5500 -3.5500 -2.3196 -2.3196 -2.1029 -2.1029 -1.9401 -1.9401 -1.8385 -1.8385 -1.6994 -1.6994 -1.6401 -1.6401 -1.4188 -1.4188 -1.1506 -1.1506 -1.0837 -1.0837 -0.9996 -0.9996 -0.9713 -0.9713 -0.8877 -0.8877 -0.7388 -0.7388 -0.6797 -0.6797 -0.5809 -0.5809 -0.5117 -0.5117 -0.4822 -0.4822 -0.3516 -0.3516 -0.3278 -0.3278 -0.2738 -0.2738 -0.2701 -0.2701 -0.2566 -0.2566 5.5187 5.5187 k = 0.4778-0.3601 0.5777 ( 12072 PWs) bands (ev): -13.9481 -13.9481 -13.9154 -13.9154 -13.8579 -13.8579 -13.7255 -13.7255 -12.2775 -12.2775 -12.2746 -12.2746 -12.1519 -12.1519 -12.0956 -12.0956 -6.1227 -6.1227 -6.0916 -6.0916 -6.0454 -6.0454 -6.0280 -6.0280 -5.8072 -5.8072 -5.7763 -5.7763 -5.7200 -5.7200 -5.7181 -5.7181 -5.6840 -5.6840 -5.6532 -5.6532 -3.5549 -3.5549 -3.5493 -3.5493 -2.3189 -2.3189 -2.1029 -2.1029 -1.9397 -1.9397 -1.8390 -1.8390 -1.6997 -1.6997 -1.6412 -1.6412 -1.4195 -1.4195 -1.1493 -1.1493 -1.0830 -1.0830 -0.9982 -0.9982 -0.9697 -0.9697 -0.8885 -0.8885 -0.7271 -0.7271 -0.6893 -0.6893 -0.5837 -0.5837 -0.5138 -0.5138 -0.4833 -0.4833 -0.3517 -0.3517 -0.3276 -0.3276 -0.2746 -0.2746 -0.2705 -0.2705 -0.2571 -0.2571 5.5207 5.5207 k = 0.5222 0.6467 0.0268 ( 12072 PWs) bands (ev): -13.9481 -13.9481 -13.9154 -13.9154 -13.8579 -13.8579 -13.7255 -13.7255 -12.2775 -12.2775 -12.2746 -12.2746 -12.1519 -12.1519 -12.0956 -12.0956 -6.1227 -6.1227 -6.0916 -6.0916 -6.0454 -6.0454 -6.0280 -6.0280 -5.8072 -5.8072 -5.7763 -5.7763 -5.7200 -5.7200 -5.7181 -5.7181 -5.6840 -5.6840 -5.6532 -5.6532 -3.5549 -3.5549 -3.5493 -3.5493 -2.3189 -2.3189 -2.1029 -2.1029 -1.9397 -1.9397 -1.8390 -1.8390 -1.6997 -1.6997 -1.6412 -1.6412 -1.4195 -1.4195 -1.1493 -1.1493 -1.0830 -1.0830 -0.9982 -0.9982 -0.9697 -0.9697 -0.8885 -0.8885 -0.7271 -0.7271 -0.6893 -0.6893 -0.5837 -0.5837 -0.5138 -0.5138 -0.4833 -0.4833 -0.3517 -0.3517 -0.3276 -0.3276 -0.2746 -0.2746 -0.2705 -0.2705 -0.2571 -0.2571 5.5207 5.5207 k = 0.5111 0.6551 0.0134 ( 12070 PWs) bands (ev): -13.9480 -13.9480 -13.9157 -13.9157 -13.8578 -13.8578 -13.7253 -13.7253 -12.2777 -12.2777 -12.2748 -12.2748 -12.1520 -12.1520 -12.0955 -12.0955 -6.1228 -6.1228 -6.0916 -6.0916 -6.0455 -6.0455 -6.0280 -6.0280 -5.8073 -5.8073 -5.7762 -5.7762 -5.7200 -5.7200 -5.7183 -5.7183 -5.6840 -5.6840 -5.6531 -5.6531 -3.5542 -3.5542 -3.5495 -3.5495 -2.3152 -2.3152 -2.1016 -2.1016 -1.9360 -1.9360 -1.8421 -1.8421 -1.6958 -1.6958 -1.6399 -1.6399 -1.4223 -1.4223 -1.1449 -1.1449 -1.0838 -1.0838 -0.9932 -0.9932 -0.9728 -0.9728 -0.8929 -0.8929 -0.7254 -0.7254 -0.6912 -0.6912 -0.5848 -0.5848 -0.5172 -0.5172 -0.4860 -0.4860 -0.3484 -0.3484 -0.3341 -0.3341 -0.2741 -0.2741 -0.2719 -0.2719 -0.2591 -0.2591 5.5198 5.5198 k = 0.5000 0.6635 0.0000 ( 12054 PWs) bands (ev): -13.9480 -13.9480 -13.9158 -13.9158 -13.8577 -13.8577 -13.7252 -13.7252 -12.2777 -12.2777 -12.2749 -12.2749 -12.1521 -12.1521 -12.0955 -12.0955 -6.1227 -6.1227 -6.0916 -6.0916 -6.0455 -6.0455 -6.0280 -6.0280 -5.8073 -5.8073 -5.7762 -5.7762 -5.7199 -5.7199 -5.7183 -5.7183 -5.6841 -5.6841 -5.6531 -5.6531 -3.5539 -3.5539 -3.5496 -3.5496 -2.3139 -2.3139 -2.1012 -2.1012 -1.9347 -1.9347 -1.8434 -1.8434 -1.6944 -1.6944 -1.6395 -1.6395 -1.4233 -1.4233 -1.1434 -1.1434 -1.0841 -1.0841 -0.9911 -0.9911 -0.9742 -0.9742 -0.8943 -0.8943 -0.7248 -0.7248 -0.6918 -0.6918 -0.5851 -0.5851 -0.5184 -0.5184 -0.4868 -0.4868 -0.3461 -0.3461 -0.3375 -0.3375 -0.2736 -0.2736 -0.2727 -0.2727 -0.2598 -0.2598 5.5196 5.5196 Writing output data file ZnxBrNx2.save init_run : 0.50s CPU 0.63s WALL ( 1 calls) electrons : 445.24s CPU 449.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 445.23s CPU 449.69s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.10s WALL ( 262 calls) cegterg : 408.81s CPU 412.35s WALL ( 464 calls) Called by sum_band: Called by *egterg: h_psi : 247.58s CPU 250.87s WALL ( 7132 calls) s_psi : 8.12s CPU 8.13s WALL ( 7132 calls) g_psi : 0.41s CPU 0.39s WALL ( 6406 calls) cdiaghg : 135.33s CPU 135.74s WALL ( 6668 calls) cegterg:over : 19.66s CPU 19.90s WALL ( 6406 calls) cegterg:upda : 13.33s CPU 13.42s WALL ( 6406 calls) cegterg:last : 8.59s CPU 8.59s WALL ( 988 calls) cdiaghg:chol : 5.29s CPU 5.37s WALL ( 6668 calls) cdiaghg:inve : 4.09s CPU 3.96s WALL ( 6668 calls) cdiaghg:para : 8.04s CPU 8.34s WALL ( 13336 calls) Called by h_psi: h_psi:vloc : 226.62s CPU 229.81s WALL ( 7132 calls) h_psi:vnl : 20.49s CPU 20.55s WALL ( 7132 calls) add_vuspsi : 9.39s CPU 9.47s WALL ( 7132 calls) General routines calbec : 11.05s CPU 11.05s WALL ( 7132 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 216.46s CPU 219.62s WALL ( 972608 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.35s CPU 0.37s WALL ( 524 calls) Parallel routines fft_scatter : 145.34s CPU 147.47s WALL ( 972631 calls) PWSCF : 8m34.39s CPU 8m59.39s WALL This run was terminated on: 4:27:33 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=