Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 22:49:31 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: ./BaPd.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 177 76 21 10841 3073 439 Max 178 77 22 10845 3118 444 Sum 12787 5541 1513 780695 222435 31785 bravais-lattice index = 14 lattice parameter (alat) = 17.2627 a.u. unit-cell volume = 3633.7810 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.262699 celldm(2)= 1.000000 celldm(3)= 0.734535 celldm(4)= 0.154134 celldm(5)= 0.154134 celldm(6)= -0.144370 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.144370 0.989524 0.000000 ) a(3) = ( 0.113217 0.130933 0.713849 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.145898 -0.185361 ) b(2) = ( 0.000000 1.010587 -0.185361 ) b(3) = ( 0.000000 0.000000 1.400856 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Pd 18.00 106.42000 Pd( 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= 208 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 2) = ( 0.0182051 0.0210539 -0.0038617), wk = 0.0048077 k( 3) = ( 0.0364101 0.0421078 -0.0077234), wk = 0.0048077 k( 4) = ( 0.0546152 0.0631617 -0.0115850), wk = 0.0048077 k( 5) = ( 0.0728203 0.0842156 -0.0154467), wk = 0.0048077 k( 6) = ( 0.0910254 0.1052695 -0.0193084), wk = 0.0048077 k( 7) = ( 0.1092304 0.1263234 -0.0231701), wk = 0.0048077 k( 8) = ( 0.1274355 0.1473773 -0.0270318), wk = 0.0048077 k( 9) = ( 0.1456406 0.1684312 -0.0308934), wk = 0.0048077 k( 10) = ( 0.1638456 0.1894851 -0.0347551), wk = 0.0048077 k( 11) = ( 0.1820507 0.2105390 -0.0386168), wk = 0.0048077 k( 12) = ( 0.2002558 0.2315929 -0.0424785), wk = 0.0048077 k( 13) = ( 0.2184609 0.2526468 -0.0463402), wk = 0.0048077 k( 14) = ( 0.2366659 0.2737007 -0.0502018), wk = 0.0048077 k( 15) = ( 0.2548710 0.2947546 -0.0540635), wk = 0.0048077 k( 16) = ( 0.2730761 0.3158085 -0.0579252), wk = 0.0048077 k( 17) = ( 0.2912811 0.3368624 -0.0617869), wk = 0.0048077 k( 18) = ( 0.3094862 0.3579163 -0.0656486), wk = 0.0048077 k( 19) = ( 0.3276913 0.3789702 -0.0695102), wk = 0.0048077 k( 20) = ( 0.3458964 0.4000241 -0.0733719), wk = 0.0048077 k( 21) = ( 0.3641014 0.4210780 -0.0772336), wk = 0.0048077 k( 22) = ( 0.3823065 0.4421319 -0.0810953), wk = 0.0048077 k( 23) = ( 0.4005116 0.4631858 -0.0849569), wk = 0.0048077 k( 24) = ( 0.4187166 0.4842397 -0.0888186), wk = 0.0048077 k( 25) = ( 0.4369217 0.5052935 -0.0926803), wk = 0.0048077 k( 26) = ( 0.4369217 0.5052935 -0.0926803), wk = 0.0048077 k( 27) = ( 0.4413030 0.5103605 -0.0650554), wk = 0.0048077 k( 28) = ( 0.4456843 0.5154274 -0.0374305), wk = 0.0048077 k( 29) = ( 0.4500656 0.5204943 -0.0098056), wk = 0.0048077 k( 30) = ( 0.4544470 0.5255613 0.0178193), wk = 0.0048077 k( 31) = ( 0.4588283 0.5306282 0.0454442), wk = 0.0048077 k( 32) = ( 0.4632096 0.5356951 0.0730691), wk = 0.0048077 k( 33) = ( 0.4675909 0.5407620 0.1006940), wk = 0.0048077 k( 34) = ( 0.4719722 0.5458289 0.1283189), wk = 0.0048077 k( 35) = ( 0.4763535 0.5508959 0.1559438), wk = 0.0048077 k( 36) = ( 0.4807348 0.5559628 0.1835687), wk = 0.0048077 k( 37) = ( 0.4851162 0.5610297 0.2111936), wk = 0.0048077 k( 38) = ( 0.4894975 0.5660966 0.2388185), wk = 0.0048077 k( 39) = ( 0.4938788 0.5711636 0.2664434), wk = 0.0048077 k( 40) = ( 0.4982601 0.5762305 0.2940683), wk = 0.0048077 k( 41) = ( 0.5026414 0.5812974 0.3216932), wk = 0.0048077 k( 42) = ( 0.5070227 0.5863644 0.3493181), wk = 0.0048077 k( 43) = ( 0.5114040 0.5914313 0.3769430), wk = 0.0048077 k( 44) = ( 0.5157853 0.5964982 0.4045679), wk = 0.0048077 k( 45) = ( 0.5201667 0.6015651 0.4321928), wk = 0.0048077 k( 46) = ( 0.5245480 0.6066320 0.4598177), wk = 0.0048077 k( 47) = ( 0.5289293 0.6116990 0.4874426), wk = 0.0048077 k( 48) = ( 0.5333106 0.6167659 0.5150675), wk = 0.0048077 k( 49) = ( 0.5333106 0.6167659 0.5150675), wk = 0.0048077 k( 50) = ( 0.5172458 0.5981872 0.5305142), wk = 0.0048077 k( 51) = ( 0.5011810 0.5796085 0.5459609), wk = 0.0048077 k( 52) = ( 0.4851162 0.5610297 0.5614077), wk = 0.0048077 k( 53) = ( 0.4690513 0.5424510 0.5768544), wk = 0.0048077 k( 54) = ( 0.4529865 0.5238723 0.5923011), wk = 0.0048077 k( 55) = ( 0.4369217 0.5052935 0.6077478), wk = 0.0048077 k( 56) = ( 0.4208569 0.4867148 0.6231945), wk = 0.0048077 k( 57) = ( 0.4047921 0.4681361 0.6386413), wk = 0.0048077 k( 58) = ( 0.3887273 0.4495574 0.6540880), wk = 0.0048077 k( 59) = ( 0.3726624 0.4309787 0.6695347), wk = 0.0048077 k( 60) = ( 0.3565976 0.4123999 0.6849814), wk = 0.0048077 k( 61) = ( 0.3405328 0.3938212 0.7004281), wk = 0.0048077 k( 62) = ( 0.3405328 0.3938212 0.7004281), wk = 0.0048077 k( 63) = ( 0.3216143 0.3719423 0.7004281), wk = 0.0048077 k( 64) = ( 0.3026958 0.3500633 0.7004281), wk = 0.0048077 k( 65) = ( 0.2837773 0.3281843 0.7004281), wk = 0.0048077 k( 66) = ( 0.2648589 0.3063054 0.7004281), wk = 0.0048077 k( 67) = ( 0.2459404 0.2844264 0.7004281), wk = 0.0048077 k( 68) = ( 0.2270219 0.2625475 0.7004281), wk = 0.0048077 k( 69) = ( 0.2081034 0.2406685 0.7004281), wk = 0.0048077 k( 70) = ( 0.1891849 0.2187896 0.7004281), wk = 0.0048077 k( 71) = ( 0.1702664 0.1969106 0.7004281), wk = 0.0048077 k( 72) = ( 0.1513479 0.1750317 0.7004281), wk = 0.0048077 k( 73) = ( 0.1324294 0.1531527 0.7004281), wk = 0.0048077 k( 74) = ( 0.1135109 0.1312737 0.7004281), wk = 0.0048077 k( 75) = ( 0.0945924 0.1093948 0.7004281), wk = 0.0048077 k( 76) = ( 0.0756740 0.0875158 0.7004281), wk = 0.0048077 k( 77) = ( 0.0567555 0.0656369 0.7004281), wk = 0.0048077 k( 78) = ( 0.0378370 0.0437579 0.7004281), wk = 0.0048077 k( 79) = ( 0.0189185 0.0218790 0.7004281), wk = 0.0048077 k( 80) = ( 0.0000000 0.0000000 0.7004281), wk = 0.0048077 k( 81) = ( 0.0000000 0.0000000 0.7004281), wk = 0.0048077 k( 82) = ( 0.0217391 -0.0187976 0.7004281), wk = 0.0048077 k( 83) = ( 0.0434783 -0.0375952 0.7004281), wk = 0.0048077 k( 84) = ( 0.0652174 -0.0563928 0.7004281), wk = 0.0048077 k( 85) = ( 0.0869565 -0.0751903 0.7004281), wk = 0.0048077 k( 86) = ( 0.1086957 -0.0939879 0.7004281), wk = 0.0048077 k( 87) = ( 0.1304348 -0.1127855 0.7004281), wk = 0.0048077 k( 88) = ( 0.1521739 -0.1315831 0.7004281), wk = 0.0048077 k( 89) = ( 0.1739130 -0.1503807 0.7004281), wk = 0.0048077 k( 90) = ( 0.1956522 -0.1691783 0.7004281), wk = 0.0048077 k( 91) = ( 0.2173913 -0.1879758 0.7004281), wk = 0.0048077 k( 92) = ( 0.2391304 -0.2067734 0.7004281), wk = 0.0048077 k( 93) = ( 0.2608696 -0.2255710 0.7004281), wk = 0.0048077 k( 94) = ( 0.2826087 -0.2443686 0.7004281), wk = 0.0048077 k( 95) = ( 0.3043478 -0.2631662 0.7004281), wk = 0.0048077 k( 96) = ( 0.3260870 -0.2819638 0.7004281), wk = 0.0048077 k( 97) = ( 0.3478261 -0.3007613 0.7004281), wk = 0.0048077 k( 98) = ( 0.3695652 -0.3195589 0.7004281), wk = 0.0048077 k( 99) = ( 0.3913044 -0.3383565 0.7004281), wk = 0.0048077 k( 100) = ( 0.4130435 -0.3571541 0.7004281), wk = 0.0048077 k( 101) = ( 0.4347826 -0.3759517 0.7004281), wk = 0.0048077 k( 102) = ( 0.4565217 -0.3947493 0.7004281), wk = 0.0048077 k( 103) = ( 0.4782609 -0.4135468 0.7004281), wk = 0.0048077 k( 104) = ( 0.5000000 -0.4323444 0.7004281), wk = 0.0048077 k( 105) = ( 0.5000000 -0.4323444 0.7004281), wk = 0.0048077 k( 106) = ( 0.4833447 -0.4516060 0.7004281), wk = 0.0048077 k( 107) = ( 0.4666894 -0.4708676 0.7004281), wk = 0.0048077 k( 108) = ( 0.6594672 -0.2479230 0.5150675), wk = 0.0048077 k( 109) = ( 0.6550859 -0.2529899 0.4874426), wk = 0.0048077 k( 110) = ( 0.6507046 -0.2580568 0.4598177), wk = 0.0048077 k( 111) = ( 0.6463233 -0.2631237 0.4321928), wk = 0.0048077 k( 112) = ( 0.6419419 -0.2681907 0.4045679), wk = 0.0048077 k( 113) = ( 0.6375606 -0.2732576 0.3769430), wk = 0.0048077 k( 114) = ( 0.6331793 -0.2783245 0.3493181), wk = 0.0048077 k( 115) = ( 0.6287980 -0.2833914 0.3216932), wk = 0.0048077 k( 116) = ( 0.6244167 -0.2884584 0.2940683), wk = 0.0048077 k( 117) = ( 0.6200354 -0.2935253 0.2664434), wk = 0.0048077 k( 118) = ( 0.6156540 -0.2985922 0.2388185), wk = 0.0048077 k( 119) = ( 0.6112727 -0.3036591 0.2111936), wk = 0.0048077 k( 120) = ( 0.6068914 -0.3087261 0.1835687), wk = 0.0048077 k( 121) = ( 0.6025101 -0.3137930 0.1559438), wk = 0.0048077 k( 122) = ( 0.5981288 -0.3188599 0.1283189), wk = 0.0048077 k( 123) = ( 0.5937475 -0.3239268 0.1006940), wk = 0.0048077 k( 124) = ( 0.5893662 -0.3289938 0.0730691), wk = 0.0048077 k( 125) = ( 0.5849849 -0.3340607 0.0454442), wk = 0.0048077 k( 126) = ( 0.5806035 -0.3391276 0.0178193), wk = 0.0048077 k( 127) = ( 0.5762222 -0.3441945 -0.0098056), wk = 0.0048077 k( 128) = ( 0.5718409 -0.3492615 -0.0374305), wk = 0.0048077 k( 129) = ( 0.5674596 -0.3543284 -0.0650554), wk = 0.0048077 k( 130) = ( 0.5630783 -0.3593953 -0.0926803), wk = 0.0048077 k( 131) = ( 0.5630783 -0.3593953 -0.0926803), wk = 0.0048077 k( 132) = ( 0.5504626 -0.3739851 -0.0741442), wk = 0.0048077 k( 133) = ( 0.5378470 -0.3885750 -0.0556082), wk = 0.0048077 k( 134) = ( 0.5252313 -0.4031648 -0.0370721), wk = 0.0048077 k( 135) = ( 0.5126157 -0.4177546 -0.0185361), wk = 0.0048077 k( 136) = ( 0.5000000 -0.4323444 0.0000000), wk = 0.0048077 k( 137) = ( 0.5000000 -0.4323444 0.0000000), wk = 0.0048077 k( 138) = ( 0.4782609 -0.4135468 0.0000000), wk = 0.0048077 k( 139) = ( 0.4565217 -0.3947493 0.0000000), wk = 0.0048077 k( 140) = ( 0.4347826 -0.3759517 0.0000000), wk = 0.0048077 k( 141) = ( 0.4130435 -0.3571541 0.0000000), wk = 0.0048077 k( 142) = ( 0.3913044 -0.3383565 0.0000000), wk = 0.0048077 k( 143) = ( 0.3695652 -0.3195589 0.0000000), wk = 0.0048077 k( 144) = ( 0.3478261 -0.3007613 0.0000000), wk = 0.0048077 k( 145) = ( 0.3260870 -0.2819638 0.0000000), wk = 0.0048077 k( 146) = ( 0.3043478 -0.2631662 0.0000000), wk = 0.0048077 k( 147) = ( 0.2826087 -0.2443686 0.0000000), wk = 0.0048077 k( 148) = ( 0.2608696 -0.2255710 0.0000000), wk = 0.0048077 k( 149) = ( 0.2391304 -0.2067734 0.0000000), wk = 0.0048077 k( 150) = ( 0.2173913 -0.1879758 0.0000000), wk = 0.0048077 k( 151) = ( 0.1956522 -0.1691783 0.0000000), wk = 0.0048077 k( 152) = ( 0.1739130 -0.1503807 0.0000000), wk = 0.0048077 k( 153) = ( 0.1521739 -0.1315831 0.0000000), wk = 0.0048077 k( 154) = ( 0.1304348 -0.1127855 0.0000000), wk = 0.0048077 k( 155) = ( 0.1086957 -0.0939879 0.0000000), wk = 0.0048077 k( 156) = ( 0.0869565 -0.0751903 0.0000000), wk = 0.0048077 k( 157) = ( 0.0652174 -0.0563928 0.0000000), wk = 0.0048077 k( 158) = ( 0.0434783 -0.0375952 0.0000000), wk = 0.0048077 k( 159) = ( 0.0217391 -0.0187976 0.0000000), wk = 0.0048077 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 162) = ( 0.0277778 0.0040527 -0.0051489), wk = 0.0048077 k( 163) = ( 0.0555556 0.0081055 -0.0102978), wk = 0.0048077 k( 164) = ( 0.0833333 0.0121582 -0.0154467), wk = 0.0048077 k( 165) = ( 0.1111111 0.0162109 -0.0205956), wk = 0.0048077 k( 166) = ( 0.1388889 0.0202636 -0.0257445), wk = 0.0048077 k( 167) = ( 0.1666667 0.0243164 -0.0308934), wk = 0.0048077 k( 168) = ( 0.1944444 0.0283691 -0.0360423), wk = 0.0048077 k( 169) = ( 0.2222222 0.0324218 -0.0411912), wk = 0.0048077 k( 170) = ( 0.2500000 0.0364746 -0.0463402), wk = 0.0048077 k( 171) = ( 0.2777778 0.0405273 -0.0514891), wk = 0.0048077 k( 172) = ( 0.3055556 0.0445800 -0.0566380), wk = 0.0048077 k( 173) = ( 0.3333333 0.0486327 -0.0617869), wk = 0.0048077 k( 174) = ( 0.3611111 0.0526855 -0.0669358), wk = 0.0048077 k( 175) = ( 0.3888889 0.0567382 -0.0720847), wk = 0.0048077 k( 176) = ( 0.4166667 0.0607909 -0.0772336), wk = 0.0048077 k( 177) = ( 0.4444444 0.0648437 -0.0823825), wk = 0.0048077 k( 178) = ( 0.4722222 0.0688964 -0.0875314), wk = 0.0048077 k( 179) = ( 0.5000000 0.0729491 -0.0926803), wk = 0.0048077 k( 180) = ( 0.5000000 0.0729491 0.6077478), wk = 0.0048077 k( 181) = ( 0.4821429 0.0703438 0.5860425), wk = 0.0048077 k( 182) = ( 0.4642857 0.0677385 0.5643372), wk = 0.0048077 k( 183) = ( 0.4464286 0.0651331 0.5426320), wk = 0.0048077 k( 184) = ( 0.4285714 0.0625278 0.5209267), wk = 0.0048077 k( 185) = ( 0.4107143 0.0599225 0.4992214), wk = 0.0048077 k( 186) = ( 0.3928571 0.0573172 0.4775161), wk = 0.0048077 k( 187) = ( 0.3750000 0.0547118 0.4558109), wk = 0.0048077 k( 188) = ( 0.3571429 0.0521065 0.4341056), wk = 0.0048077 k( 189) = ( 0.3392857 0.0495012 0.4124003), wk = 0.0048077 k( 190) = ( 0.3214286 0.0468959 0.3906950), wk = 0.0048077 k( 191) = ( 0.3035714 0.0442905 0.3689897), wk = 0.0048077 k( 192) = ( 0.2857143 0.0416852 0.3472845), wk = 0.0048077 k( 193) = ( 0.2678571 0.0390799 0.3255792), wk = 0.0048077 k( 194) = ( 0.2500000 0.0364746 0.3038739), wk = 0.0048077 k( 195) = ( 0.2321429 0.0338692 0.2821686), wk = 0.0048077 k( 196) = ( 0.2142857 0.0312639 0.2604633), wk = 0.0048077 k( 197) = ( 0.1964286 0.0286586 0.2387581), wk = 0.0048077 k( 198) = ( 0.1785714 0.0260533 0.2170528), wk = 0.0048077 k( 199) = ( 0.1607143 0.0234479 0.1953475), wk = 0.0048077 k( 200) = ( 0.1428571 0.0208426 0.1736422), wk = 0.0048077 k( 201) = ( 0.1250000 0.0182373 0.1519370), wk = 0.0048077 k( 202) = ( 0.1071429 0.0156320 0.1302317), wk = 0.0048077 k( 203) = ( 0.0892857 0.0130266 0.1085264), wk = 0.0048077 k( 204) = ( 0.0714286 0.0104213 0.0868211), wk = 0.0048077 k( 205) = ( 0.0535714 0.0078160 0.0651158), wk = 0.0048077 k( 206) = ( 0.0357143 0.0052107 0.0434106), wk = 0.0048077 k( 207) = ( 0.0178571 0.0026053 0.0217053), wk = 0.0048077 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 2) = ( 0.0182051 0.0182051 0.0020611), wk = 0.0048077 k( 3) = ( 0.0364101 0.0364101 0.0041222), wk = 0.0048077 k( 4) = ( 0.0546152 0.0546152 0.0061833), wk = 0.0048077 k( 5) = ( 0.0728203 0.0728203 0.0082445), wk = 0.0048077 k( 6) = ( 0.0910254 0.0910254 0.0103056), wk = 0.0048077 k( 7) = ( 0.1092304 0.1092304 0.0123667), wk = 0.0048077 k( 8) = ( 0.1274355 0.1274355 0.0144278), wk = 0.0048077 k( 9) = ( 0.1456406 0.1456406 0.0164889), wk = 0.0048077 k( 10) = ( 0.1638456 0.1638456 0.0185500), wk = 0.0048077 k( 11) = ( 0.1820507 0.1820507 0.0206112), wk = 0.0048077 k( 12) = ( 0.2002558 0.2002558 0.0226723), wk = 0.0048077 k( 13) = ( 0.2184609 0.2184609 0.0247334), wk = 0.0048077 k( 14) = ( 0.2366659 0.2366659 0.0267945), wk = 0.0048077 k( 15) = ( 0.2548710 0.2548710 0.0288556), wk = 0.0048077 k( 16) = ( 0.2730761 0.2730761 0.0309167), wk = 0.0048077 k( 17) = ( 0.2912811 0.2912811 0.0329778), wk = 0.0048077 k( 18) = ( 0.3094862 0.3094862 0.0350390), wk = 0.0048077 k( 19) = ( 0.3276913 0.3276913 0.0371001), wk = 0.0048077 k( 20) = ( 0.3458964 0.3458964 0.0391612), wk = 0.0048077 k( 21) = ( 0.3641014 0.3641014 0.0412223), wk = 0.0048077 k( 22) = ( 0.3823065 0.3823065 0.0432834), wk = 0.0048077 k( 23) = ( 0.4005116 0.4005116 0.0453445), wk = 0.0048077 k( 24) = ( 0.4187166 0.4187166 0.0474057), wk = 0.0048077 k( 25) = ( 0.4369217 0.4369217 0.0494668), wk = 0.0048077 k( 26) = ( 0.4369217 0.4369217 0.0494668), wk = 0.0048077 k( 27) = ( 0.4413030 0.4413030 0.0703463), wk = 0.0048077 k( 28) = ( 0.4456843 0.4456843 0.0912257), wk = 0.0048077 k( 29) = ( 0.4500656 0.4500656 0.1121052), wk = 0.0048077 k( 30) = ( 0.4544470 0.4544470 0.1329847), wk = 0.0048077 k( 31) = ( 0.4588283 0.4588283 0.1538642), wk = 0.0048077 k( 32) = ( 0.4632096 0.4632096 0.1747436), wk = 0.0048077 k( 33) = ( 0.4675909 0.4675909 0.1956231), wk = 0.0048077 k( 34) = ( 0.4719722 0.4719722 0.2165026), wk = 0.0048077 k( 35) = ( 0.4763535 0.4763535 0.2373821), wk = 0.0048077 k( 36) = ( 0.4807348 0.4807348 0.2582616), wk = 0.0048077 k( 37) = ( 0.4851162 0.4851162 0.2791410), wk = 0.0048077 k( 38) = ( 0.4894975 0.4894975 0.3000205), wk = 0.0048077 k( 39) = ( 0.4938788 0.4938788 0.3209000), wk = 0.0048077 k( 40) = ( 0.4982601 0.4982601 0.3417795), wk = 0.0048077 k( 41) = ( 0.5026414 0.5026414 0.3626589), wk = 0.0048077 k( 42) = ( 0.5070227 0.5070227 0.3835384), wk = 0.0048077 k( 43) = ( 0.5114040 0.5114040 0.4044179), wk = 0.0048077 k( 44) = ( 0.5157853 0.5157853 0.4252974), wk = 0.0048077 k( 45) = ( 0.5201667 0.5201667 0.4461769), wk = 0.0048077 k( 46) = ( 0.5245480 0.5245480 0.4670563), wk = 0.0048077 k( 47) = ( 0.5289293 0.5289293 0.4879358), wk = 0.0048077 k( 48) = ( 0.5333106 0.5333106 0.5088153), wk = 0.0048077 k( 49) = ( 0.5333106 0.5333106 0.5088153), wk = 0.0048077 k( 50) = ( 0.5172458 0.5172458 0.5155905), wk = 0.0048077 k( 51) = ( 0.5011810 0.5011810 0.5223658), wk = 0.0048077 k( 52) = ( 0.4851162 0.4851162 0.5291410), wk = 0.0048077 k( 53) = ( 0.4690513 0.4690513 0.5359163), wk = 0.0048077 k( 54) = ( 0.4529865 0.4529865 0.5426915), wk = 0.0048077 k( 55) = ( 0.4369217 0.4369217 0.5494668), wk = 0.0048077 k( 56) = ( 0.4208569 0.4208569 0.5562420), wk = 0.0048077 k( 57) = ( 0.4047921 0.4047921 0.5630173), wk = 0.0048077 k( 58) = ( 0.3887273 0.3887273 0.5697925), wk = 0.0048077 k( 59) = ( 0.3726624 0.3726624 0.5765678), wk = 0.0048077 k( 60) = ( 0.3565976 0.3565976 0.5833430), wk = 0.0048077 k( 61) = ( 0.3405328 0.3405328 0.5901183), wk = 0.0048077 k( 62) = ( 0.3405328 0.3405328 0.5901183), wk = 0.0048077 k( 63) = ( 0.3216143 0.3216143 0.5851117), wk = 0.0048077 k( 64) = ( 0.3026958 0.3026958 0.5801051), wk = 0.0048077 k( 65) = ( 0.2837773 0.2837774 0.5750986), wk = 0.0048077 k( 66) = ( 0.2648589 0.2648589 0.5700920), wk = 0.0048077 k( 67) = ( 0.2459404 0.2459404 0.5650854), wk = 0.0048077 k( 68) = ( 0.2270219 0.2270219 0.5600789), wk = 0.0048077 k( 69) = ( 0.2081034 0.2081034 0.5550723), wk = 0.0048077 k( 70) = ( 0.1891849 0.1891849 0.5500657), wk = 0.0048077 k( 71) = ( 0.1702664 0.1702664 0.5450591), wk = 0.0048077 k( 72) = ( 0.1513479 0.1513479 0.5400526), wk = 0.0048077 k( 73) = ( 0.1324294 0.1324294 0.5350460), wk = 0.0048077 k( 74) = ( 0.1135109 0.1135109 0.5300394), wk = 0.0048077 k( 75) = ( 0.0945924 0.0945925 0.5250328), wk = 0.0048077 k( 76) = ( 0.0756740 0.0756740 0.5200263), wk = 0.0048077 k( 77) = ( 0.0567555 0.0567555 0.5150197), wk = 0.0048077 k( 78) = ( 0.0378370 0.0378370 0.5100131), wk = 0.0048077 k( 79) = ( 0.0189185 0.0189185 0.5050066), wk = 0.0048077 k( 80) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0048077 k( 81) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0048077 k( 82) = ( 0.0217391 -0.0217391 0.5000000), wk = 0.0048077 k( 83) = ( 0.0434783 -0.0434783 0.5000000), wk = 0.0048077 k( 84) = ( 0.0652174 -0.0652174 0.5000000), wk = 0.0048077 k( 85) = ( 0.0869565 -0.0869565 0.5000000), wk = 0.0048077 k( 86) = ( 0.1086957 -0.1086957 0.5000000), wk = 0.0048077 k( 87) = ( 0.1304348 -0.1304348 0.5000000), wk = 0.0048077 k( 88) = ( 0.1521739 -0.1521739 0.5000000), wk = 0.0048077 k( 89) = ( 0.1739130 -0.1739130 0.5000000), wk = 0.0048077 k( 90) = ( 0.1956522 -0.1956522 0.5000000), wk = 0.0048077 k( 91) = ( 0.2173913 -0.2173913 0.5000000), wk = 0.0048077 k( 92) = ( 0.2391304 -0.2391304 0.5000000), wk = 0.0048077 k( 93) = ( 0.2608696 -0.2608696 0.5000000), wk = 0.0048077 k( 94) = ( 0.2826087 -0.2826087 0.5000000), wk = 0.0048077 k( 95) = ( 0.3043478 -0.3043478 0.5000000), wk = 0.0048077 k( 96) = ( 0.3260870 -0.3260870 0.5000000), wk = 0.0048077 k( 97) = ( 0.3478261 -0.3478261 0.5000000), wk = 0.0048077 k( 98) = ( 0.3695652 -0.3695652 0.5000000), wk = 0.0048077 k( 99) = ( 0.3913044 -0.3913044 0.5000000), wk = 0.0048077 k( 100) = ( 0.4130435 -0.4130435 0.5000000), wk = 0.0048077 k( 101) = ( 0.4347826 -0.4347826 0.5000000), wk = 0.0048077 k( 102) = ( 0.4565217 -0.4565217 0.5000000), wk = 0.0048077 k( 103) = ( 0.4782609 -0.4782609 0.5000000), wk = 0.0048077 k( 104) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0048077 k( 105) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0048077 k( 106) = ( 0.4833447 -0.5166553 0.4955924), wk = 0.0048077 k( 107) = ( 0.4666894 -0.5333106 0.4911847), wk = 0.0048077 k( 108) = ( 0.6594672 -0.3405328 0.4098817), wk = 0.0048077 k( 109) = ( 0.6550859 -0.3449141 0.3890022), wk = 0.0048077 k( 110) = ( 0.6507046 -0.3492954 0.3681228), wk = 0.0048077 k( 111) = ( 0.6463233 -0.3536768 0.3472433), wk = 0.0048077 k( 112) = ( 0.6419419 -0.3580581 0.3263638), wk = 0.0048077 k( 113) = ( 0.6375606 -0.3624394 0.3054843), wk = 0.0048077 k( 114) = ( 0.6331793 -0.3668207 0.2846049), wk = 0.0048077 k( 115) = ( 0.6287980 -0.3712020 0.2637254), wk = 0.0048077 k( 116) = ( 0.6244167 -0.3755833 0.2428459), wk = 0.0048077 k( 117) = ( 0.6200354 -0.3799646 0.2219664), wk = 0.0048077 k( 118) = ( 0.6156540 -0.3843460 0.2010869), wk = 0.0048077 k( 119) = ( 0.6112727 -0.3887273 0.1802075), wk = 0.0048077 k( 120) = ( 0.6068914 -0.3931086 0.1593280), wk = 0.0048077 k( 121) = ( 0.6025101 -0.3974899 0.1384485), wk = 0.0048077 k( 122) = ( 0.5981288 -0.4018712 0.1175690), wk = 0.0048077 k( 123) = ( 0.5937475 -0.4062525 0.0966896), wk = 0.0048077 k( 124) = ( 0.5893662 -0.4106338 0.0758101), wk = 0.0048077 k( 125) = ( 0.5849849 -0.4150151 0.0549306), wk = 0.0048077 k( 126) = ( 0.5806035 -0.4193964 0.0340511), wk = 0.0048077 k( 127) = ( 0.5762222 -0.4237778 0.0131716), wk = 0.0048077 k( 128) = ( 0.5718409 -0.4281591 -0.0077078), wk = 0.0048077 k( 129) = ( 0.5674596 -0.4325404 -0.0285873), wk = 0.0048077 k( 130) = ( 0.5630783 -0.4369217 -0.0494668), wk = 0.0048077 k( 131) = ( 0.5630783 -0.4369217 -0.0494668), wk = 0.0048077 k( 132) = ( 0.5504626 -0.4495374 -0.0395734), wk = 0.0048077 k( 133) = ( 0.5378470 -0.4621530 -0.0296801), wk = 0.0048077 k( 134) = ( 0.5252313 -0.4747687 -0.0197867), wk = 0.0048077 k( 135) = ( 0.5126157 -0.4873843 -0.0098934), wk = 0.0048077 k( 136) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0048077 k( 137) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0048077 k( 138) = ( 0.4782609 -0.4782609 -0.0000000), wk = 0.0048077 k( 139) = ( 0.4565217 -0.4565217 0.0000000), wk = 0.0048077 k( 140) = ( 0.4347826 -0.4347826 -0.0000000), wk = 0.0048077 k( 141) = ( 0.4130435 -0.4130435 0.0000000), wk = 0.0048077 k( 142) = ( 0.3913044 -0.3913044 -0.0000000), wk = 0.0048077 k( 143) = ( 0.3695652 -0.3695652 -0.0000000), wk = 0.0048077 k( 144) = ( 0.3478261 -0.3478261 0.0000000), wk = 0.0048077 k( 145) = ( 0.3260870 -0.3260870 -0.0000000), wk = 0.0048077 k( 146) = ( 0.3043478 -0.3043478 0.0000000), wk = 0.0048077 k( 147) = ( 0.2826087 -0.2826087 -0.0000000), wk = 0.0048077 k( 148) = ( 0.2608696 -0.2608696 -0.0000000), wk = 0.0048077 k( 149) = ( 0.2391304 -0.2391304 -0.0000000), wk = 0.0048077 k( 150) = ( 0.2173913 -0.2173913 -0.0000000), wk = 0.0048077 k( 151) = ( 0.1956522 -0.1956522 -0.0000000), wk = 0.0048077 k( 152) = ( 0.1739130 -0.1739130 -0.0000000), wk = 0.0048077 k( 153) = ( 0.1521739 -0.1521739 -0.0000000), wk = 0.0048077 k( 154) = ( 0.1304348 -0.1304348 0.0000000), wk = 0.0048077 k( 155) = ( 0.1086957 -0.1086957 -0.0000000), wk = 0.0048077 k( 156) = ( 0.0869565 -0.0869565 -0.0000000), wk = 0.0048077 k( 157) = ( 0.0652174 -0.0652174 0.0000000), wk = 0.0048077 k( 158) = ( 0.0434783 -0.0434783 -0.0000000), wk = 0.0048077 k( 159) = ( 0.0217391 -0.0217391 -0.0000000), wk = 0.0048077 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 162) = ( 0.0277778 0.0000000 -0.0000000), wk = 0.0048077 k( 163) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0048077 k( 164) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0048077 k( 165) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0048077 k( 166) = ( 0.1388889 0.0000000 -0.0000000), wk = 0.0048077 k( 167) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0048077 k( 168) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0048077 k( 169) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0048077 k( 170) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0048077 k( 171) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0048077 k( 172) = ( 0.3055556 0.0000000 -0.0000000), wk = 0.0048077 k( 173) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0048077 k( 174) = ( 0.3611111 0.0000000 -0.0000000), wk = 0.0048077 k( 175) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0048077 k( 176) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0048077 k( 177) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0048077 k( 178) = ( 0.4722222 0.0000000 -0.0000000), wk = 0.0048077 k( 179) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0048077 k( 180) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048077 k( 181) = ( 0.4821429 -0.0000000 0.4821429), wk = 0.0048077 k( 182) = ( 0.4642857 0.0000000 0.4642857), wk = 0.0048077 k( 183) = ( 0.4464286 -0.0000000 0.4464286), wk = 0.0048077 k( 184) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0048077 k( 185) = ( 0.4107143 0.0000000 0.4107143), wk = 0.0048077 k( 186) = ( 0.3928571 0.0000000 0.3928571), wk = 0.0048077 k( 187) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0048077 k( 188) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0048077 k( 189) = ( 0.3392857 0.0000000 0.3392857), wk = 0.0048077 k( 190) = ( 0.3214286 0.0000000 0.3214286), wk = 0.0048077 k( 191) = ( 0.3035714 0.0000000 0.3035714), wk = 0.0048077 k( 192) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0048077 k( 193) = ( 0.2678571 0.0000000 0.2678571), wk = 0.0048077 k( 194) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0048077 k( 195) = ( 0.2321429 -0.0000000 0.2321429), wk = 0.0048077 k( 196) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0048077 k( 197) = ( 0.1964286 0.0000000 0.1964286), wk = 0.0048077 k( 198) = ( 0.1785714 -0.0000000 0.1785714), wk = 0.0048077 k( 199) = ( 0.1607143 -0.0000000 0.1607143), wk = 0.0048077 k( 200) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0048077 k( 201) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0048077 k( 202) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0048077 k( 203) = ( 0.0892857 -0.0000000 0.0892857), wk = 0.0048077 k( 204) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0048077 k( 205) = ( 0.0535714 -0.0000000 0.0535714), wk = 0.0048077 k( 206) = ( 0.0357143 0.0000000 0.0357143), wk = 0.0048077 k( 207) = ( 0.0178571 0.0000000 0.0178571), wk = 0.0048077 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 Dense grid: 780695 G-vectors FFT dimensions: ( 135, 135, 96) Smooth grid: 222435 G-vectors FFT dimensions: ( 90, 90, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.82 Mb ( 790, 68) NL pseudopotentials 0.83 Mb ( 395, 138) Each V/rho on FFT grid 0.56 Mb ( 36450) Each G-vector array 0.08 Mb ( 10844) G-vector shells 0.08 Mb ( 10831) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.28 Mb ( 790, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.29 Mb ( 138, 2, 68) The potential is recalculated from file : ./BaPd.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs + 8 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.8 secs Computing kpt #: 2 total cpu time spent up to now is 10.6 secs Computing kpt #: 3 total cpu time spent up to now is 14.3 secs Computing kpt #: 4 total cpu time spent up to now is 18.0 secs Computing kpt #: 5 total cpu time spent up to now is 21.3 secs Computing kpt #: 6 total cpu time spent up to now is 24.7 secs Computing kpt #: 7 total cpu time spent up to now is 27.9 secs Computing kpt #: 8 total cpu time spent up to now is 31.1 secs Computing kpt #: 9 total cpu time spent up to now is 34.1 secs Computing kpt #: 10 total cpu time spent up to now is 37.1 secs Computing kpt #: 11 total cpu time spent up to now is 40.1 secs Computing kpt #: 12 total cpu time spent up to now is 43.1 secs Computing kpt #: 13 total cpu time spent up to now is 46.3 secs Computing kpt #: 14 total cpu time spent up to now is 49.2 secs Computing kpt #: 15 total cpu time spent up to now is 52.0 secs Computing kpt #: 16 total cpu time spent up to now is 55.2 secs Computing kpt #: 17 total cpu time spent up to now is 58.1 secs Computing kpt #: 18 total cpu time spent up to now is 61.1 secs Computing kpt #: 19 total cpu time spent up to now is 63.9 secs Computing kpt #: 20 total cpu time spent up to now is 66.7 secs Computing kpt #: 21 total cpu time spent up to now is 69.5 secs Computing kpt #: 22 total cpu time spent up to now is 72.3 secs Computing kpt #: 23 total cpu time spent up to now is 75.7 secs Computing kpt #: 24 total cpu time spent up to now is 78.8 secs Computing kpt #: 25 total cpu time spent up to now is 81.7 secs Computing kpt #: 26 total cpu time spent up to now is 84.6 secs Computing kpt #: 27 total cpu time spent up to now is 87.7 secs Computing kpt #: 28 total cpu time spent up to now is 90.7 secs Computing kpt #: 29 total cpu time spent up to now is 93.7 secs Computing kpt #: 30 total cpu time spent up to now is 96.7 secs Computing kpt #: 31 total cpu time spent up to now is 99.9 secs Computing kpt #: 32 total cpu time spent up to now is 102.9 secs Computing kpt #: 33 total cpu time spent up to now is 106.0 secs Computing kpt #: 34 total cpu time spent up to now is 109.3 secs Computing kpt #: 35 total cpu time spent up to now is 112.5 secs Computing kpt #: 36 total cpu time spent up to now is 115.5 secs Computing kpt #: 37 total cpu time spent up to now is 118.8 secs Computing kpt #: 38 total cpu time spent up to now is 122.4 secs Computing kpt #: 39 total cpu time spent up to now is 125.6 secs Computing kpt #: 40 total cpu time spent up to now is 129.3 secs Computing kpt #: 41 total cpu time spent up to now is 133.1 secs Computing kpt #: 42 total cpu time spent up to now is 137.1 secs Computing kpt #: 43 total cpu time spent up to now is 141.1 secs Computing kpt #: 44 total cpu time spent up to now is 145.0 secs Computing kpt #: 45 total cpu time spent up to now is 148.4 secs Computing kpt #: 46 total cpu time spent up to now is 152.1 secs Computing kpt #: 47 total cpu time spent up to now is 155.2 secs Computing kpt #: 48 total cpu time spent up to now is 158.4 secs Computing kpt #: 49 total cpu time spent up to now is 161.8 secs Computing kpt #: 50 total cpu time spent up to now is 165.0 secs Computing kpt #: 51 total cpu time spent up to now is 168.0 secs Computing kpt #: 52 total cpu time spent up to now is 171.3 secs Computing kpt #: 53 total cpu time spent up to now is 174.6 secs Computing kpt #: 54 total cpu time spent up to now is 178.4 secs Computing kpt #: 55 total cpu time spent up to now is 182.3 secs Computing kpt #: 56 total cpu time spent up to now is 188.0 secs Computing kpt #: 57 total cpu time spent up to now is 191.9 secs Computing kpt #: 58 total cpu time spent up to now is 195.7 secs Computing kpt #: 59 total cpu time spent up to now is 199.4 secs Computing kpt #: 60 total cpu time spent up to now is 203.6 secs Computing kpt #: 61 total cpu time spent up to now is 209.0 secs Computing kpt #: 62 total cpu time spent up to now is 212.9 secs Computing kpt #: 63 total cpu time spent up to now is 216.6 secs Computing kpt #: 64 total cpu time spent up to now is 220.3 secs Computing kpt #: 65 total cpu time spent up to now is 223.5 secs Computing kpt #: 66 total cpu time spent up to now is 226.7 secs Computing kpt #: 67 total cpu time spent up to now is 229.8 secs Computing kpt #: 68 total cpu time spent up to now is 232.8 secs Computing kpt #: 69 total cpu time spent up to now is 235.8 secs Computing kpt #: 70 total cpu time spent up to now is 239.1 secs Computing kpt #: 71 total cpu time spent up to now is 242.0 secs Computing kpt #: 72 total cpu time spent up to now is 245.0 secs Computing kpt #: 73 total cpu time spent up to now is 248.3 secs Computing kpt #: 74 total cpu time spent up to now is 251.5 secs Computing kpt #: 75 total cpu time spent up to now is 255.0 secs Computing kpt #: 76 total cpu time spent up to now is 258.6 secs Computing kpt #: 77 total cpu time spent up to now is 262.2 secs Computing kpt #: 78 total cpu time spent up to now is 266.1 secs Computing kpt #: 79 total cpu time spent up to now is 269.6 secs Computing kpt #: 80 total cpu time spent up to now is 273.1 secs Computing kpt #: 81 total cpu time spent up to now is 276.6 secs Computing kpt #: 82 total cpu time spent up to now is 280.3 secs Computing kpt #: 83 total cpu time spent up to now is 283.8 secs Computing kpt #: 84 total cpu time spent up to now is 287.3 secs Computing kpt #: 85 total cpu time spent up to now is 291.2 secs Computing kpt #: 86 total cpu time spent up to now is 295.0 secs Computing kpt #: 87 total cpu time spent up to now is 298.7 secs Computing kpt #: 88 total cpu time spent up to now is 302.0 secs Computing kpt #: 89 total cpu time spent up to now is 305.5 secs Computing kpt #: 90 total cpu time spent up to now is 308.9 secs Computing kpt #: 91 total cpu time spent up to now is 312.5 secs Computing kpt #: 92 total cpu time spent up to now is 315.8 secs Computing kpt #: 93 total cpu time spent up to now is 319.3 secs Computing kpt #: 94 total cpu time spent up to now is 322.7 secs Computing kpt #: 95 total cpu time spent up to now is 326.2 secs Computing kpt #: 96 total cpu time spent up to now is 329.7 secs Computing kpt #: 97 total cpu time spent up to now is 333.1 secs Computing kpt #: 98 total cpu time spent up to now is 336.6 secs Computing kpt #: 99 total cpu time spent up to now is 339.8 secs Computing kpt #: 100 total cpu time spent up to now is 343.2 secs Computing kpt #: 101 total cpu time spent up to now is 346.5 secs Computing kpt #: 102 total cpu time spent up to now is 349.8 secs Computing kpt #: 103 total cpu time spent up to now is 353.0 secs Computing kpt #: 104 total cpu time spent up to now is 356.1 secs Computing kpt #: 105 total cpu time spent up to now is 359.6 secs Computing kpt #: 106 total cpu time spent up to now is 362.8 secs Computing kpt #: 107 total cpu time spent up to now is 366.0 secs Computing kpt #: 108 total cpu time spent up to now is 371.7 secs Computing kpt #: 109 total cpu time spent up to now is 376.6 secs Computing kpt #: 110 total cpu time spent up to now is 380.5 secs Computing kpt #: 111 total cpu time spent up to now is 384.2 secs Computing kpt #: 112 total cpu time spent up to now is 387.6 secs Computing kpt #: 113 total cpu time spent up to now is 391.0 secs Computing kpt #: 114 total cpu time spent up to now is 394.2 secs Computing kpt #: 115 total cpu time spent up to now is 397.6 secs Computing kpt #: 116 total cpu time spent up to now is 400.9 secs Computing kpt #: 117 total cpu time spent up to now is 404.0 secs Computing kpt #: 118 total cpu time spent up to now is 407.5 secs Computing kpt #: 119 total cpu time spent up to now is 410.8 secs Computing kpt #: 120 total cpu time spent up to now is 413.7 secs Computing kpt #: 121 total cpu time spent up to now is 416.7 secs Computing kpt #: 122 total cpu time spent up to now is 419.7 secs Computing kpt #: 123 total cpu time spent up to now is 422.5 secs Computing kpt #: 124 total cpu time spent up to now is 425.5 secs Computing kpt #: 125 total cpu time spent up to now is 428.5 secs Computing kpt #: 126 total cpu time spent up to now is 431.6 secs Computing kpt #: 127 total cpu time spent up to now is 434.9 secs Computing kpt #: 128 total cpu time spent up to now is 437.9 secs Computing kpt #: 129 total cpu time spent up to now is 441.0 secs Computing kpt #: 130 total cpu time spent up to now is 444.1 secs Computing kpt #: 131 total cpu time spent up to now is 447.1 secs Computing kpt #: 132 total cpu time spent up to now is 450.1 secs Computing kpt #: 133 total cpu time spent up to now is 453.3 secs Computing kpt #: 134 total cpu time spent up to now is 456.7 secs Computing kpt #: 135 total cpu time spent up to now is 460.0 secs Computing kpt #: 136 total cpu time spent up to now is 463.1 secs Computing kpt #: 137 total cpu time spent up to now is 466.2 secs Computing kpt #: 138 total cpu time spent up to now is 469.0 secs Computing kpt #: 139 total cpu time spent up to now is 472.5 secs Computing kpt #: 140 total cpu time spent up to now is 476.1 secs Computing kpt #: 141 total cpu time spent up to now is 479.7 secs Computing kpt #: 142 total cpu time spent up to now is 483.5 secs Computing kpt #: 143 total cpu time spent up to now is 487.4 secs Computing kpt #: 144 total cpu time spent up to now is 491.2 secs Computing kpt #: 145 total cpu time spent up to now is 494.5 secs Computing kpt #: 146 total cpu time spent up to now is 498.6 secs Computing kpt #: 147 total cpu time spent up to now is 502.1 secs Computing kpt #: 148 total cpu time spent up to now is 505.3 secs Computing kpt #: 149 total cpu time spent up to now is 508.4 secs Computing kpt #: 150 total cpu time spent up to now is 511.7 secs Computing kpt #: 151 total cpu time spent up to now is 514.8 secs Computing kpt #: 152 total cpu time spent up to now is 518.0 secs Computing kpt #: 153 total cpu time spent up to now is 521.0 secs Computing kpt #: 154 total cpu time spent up to now is 524.0 secs Computing kpt #: 155 total cpu time spent up to now is 527.0 secs Computing kpt #: 156 total cpu time spent up to now is 530.3 secs Computing kpt #: 157 total cpu time spent up to now is 533.3 secs Computing kpt #: 158 total cpu time spent up to now is 536.4 secs Computing kpt #: 159 total cpu time spent up to now is 540.5 secs Computing kpt #: 160 total cpu time spent up to now is 543.5 secs Computing kpt #: 161 total cpu time spent up to now is 546.7 secs Computing kpt #: 162 total cpu time spent up to now is 550.1 secs Computing kpt #: 163 total cpu time spent up to now is 553.4 secs Computing kpt #: 164 total cpu time spent up to now is 556.6 secs Computing kpt #: 165 total cpu time spent up to now is 559.9 secs Computing kpt #: 166 total cpu time spent up to now is 562.9 secs Computing kpt #: 167 total cpu time spent up to now is 566.1 secs Computing kpt #: 168 total cpu time spent up to now is 569.0 secs Computing kpt #: 169 total cpu time spent up to now is 572.2 secs Computing kpt #: 170 total cpu time spent up to now is 575.5 secs Computing kpt #: 171 total cpu time spent up to now is 578.7 secs Computing kpt #: 172 total cpu time spent up to now is 582.1 secs Computing kpt #: 173 total cpu time spent up to now is 585.5 secs Computing kpt #: 174 total cpu time spent up to now is 588.5 secs Computing kpt #: 175 total cpu time spent up to now is 591.8 secs Computing kpt #: 176 total cpu time spent up to now is 595.0 secs Computing kpt #: 177 total cpu time spent up to now is 598.3 secs Computing kpt #: 178 total cpu time spent up to now is 601.7 secs Computing kpt #: 179 total cpu time spent up to now is 604.6 secs Computing kpt #: 180 total cpu time spent up to now is 608.6 secs Computing kpt #: 181 total cpu time spent up to now is 612.2 secs Computing kpt #: 182 total cpu time spent up to now is 615.8 secs Computing kpt #: 183 total cpu time spent up to now is 619.3 secs Computing kpt #: 184 total cpu time spent up to now is 622.8 secs Computing kpt #: 185 total cpu time spent up to now is 626.1 secs Computing kpt #: 186 total cpu time spent up to now is 629.3 secs Computing kpt #: 187 total cpu time spent up to now is 632.5 secs Computing kpt #: 188 total cpu time spent up to now is 635.6 secs Computing kpt #: 189 total cpu time spent up to now is 638.8 secs Computing kpt #: 190 total cpu time spent up to now is 642.6 secs Computing kpt #: 191 total cpu time spent up to now is 646.8 secs Computing kpt #: 192 total cpu time spent up to now is 650.9 secs Computing kpt #: 193 total cpu time spent up to now is 656.4 secs Computing kpt #: 194 total cpu time spent up to now is 660.3 secs Computing kpt #: 195 total cpu time spent up to now is 664.3 secs Computing kpt #: 196 total cpu time spent up to now is 668.2 secs Computing kpt #: 197 total cpu time spent up to now is 672.2 secs Computing kpt #: 198 total cpu time spent up to now is 676.5 secs Computing kpt #: 199 total cpu time spent up to now is 680.3 secs Computing kpt #: 200 total cpu time spent up to now is 684.1 secs Computing kpt #: 201 total cpu time spent up to now is 688.4 secs Computing kpt #: 202 total cpu time spent up to now is 692.3 secs Computing kpt #: 203 total cpu time spent up to now is 696.1 secs Computing kpt #: 204 total cpu time spent up to now is 700.2 secs Computing kpt #: 205 total cpu time spent up to now is 704.1 secs Computing kpt #: 206 total cpu time spent up to now is 707.9 secs Computing kpt #: 207 total cpu time spent up to now is 711.4 secs Computing kpt #: 208 total cpu time spent up to now is 714.8 secs ethr = 1.79E-08, avg # of iterations = 38.1 total cpu time spent up to now is 714.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 27817 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7664 -14.7664 -14.7067 -14.7067 -14.6567 -14.6567 -1.0798 -1.0798 -0.7851 -0.7851 -0.4816 -0.4816 -0.3600 -0.3600 -0.2589 -0.2589 0.0339 0.0339 0.1221 0.1221 0.1614 0.1614 0.2920 0.2920 0.3555 0.3555 0.3617 0.3617 0.4787 0.4787 0.5242 0.5242 0.8114 0.8114 0.9682 0.9682 1.2509 1.2509 1.2936 1.2936 1.3597 1.3597 k = 0.0182 0.0211-0.0039 ( 27808 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7664 -14.7664 -14.7067 -14.7067 -14.6567 -14.6567 -1.0790 -1.0790 -0.7850 -0.7850 -0.4816 -0.4816 -0.3601 -0.3601 -0.2589 -0.2589 0.0339 0.0339 0.1220 0.1220 0.1603 0.1603 0.2920 0.2920 0.3553 0.3553 0.3611 0.3611 0.4787 0.4787 0.5239 0.5239 0.8113 0.8113 0.9687 0.9687 1.2504 1.2504 1.2913 1.2913 1.3439 1.3439 k = 0.0364 0.0421-0.0077 ( 27800 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7664 -14.7664 -14.7067 -14.7067 -14.6567 -14.6567 -1.0765 -1.0765 -0.7848 -0.7848 -0.4815 -0.4815 -0.3600 -0.3600 -0.2589 -0.2589 0.0338 0.0338 0.1217 0.1217 0.1571 0.1571 0.2920 0.2920 0.3545 0.3545 0.3595 0.3595 0.4785 0.4785 0.5232 0.5232 0.8112 0.8112 0.9700 0.9700 1.2478 1.2478 1.2826 1.2826 1.3253 1.3253 k = 0.0546 0.0632-0.0116 ( 27797 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7665 -14.7665 -14.7067 -14.7067 -14.6567 -14.6567 -1.0724 -1.0724 -0.7844 -0.7844 -0.4815 -0.4815 -0.3600 -0.3600 -0.2588 -0.2588 0.0338 0.0338 0.1210 0.1210 0.1518 0.1518 0.2921 0.2921 0.3526 0.3526 0.3576 0.3576 0.4782 0.4782 0.5219 0.5219 0.8109 0.8109 0.9722 0.9722 1.2364 1.2364 1.2710 1.2710 1.3166 1.3166 k = 0.0728 0.0842-0.0154 ( 27785 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7665 -14.7665 -14.7066 -14.7066 -14.6567 -14.6567 -1.0667 -1.0667 -0.7837 -0.7837 -0.4815 -0.4815 -0.3600 -0.3600 -0.2587 -0.2587 0.0337 0.0337 0.1197 0.1197 0.1449 0.1449 0.2921 0.2921 0.3491 0.3491 0.3563 0.3563 0.4777 0.4777 0.5200 0.5200 0.8105 0.8105 0.9750 0.9750 1.2118 1.2118 1.2664 1.2664 1.3139 1.3139 k = 0.0910 0.1053-0.0193 ( 27785 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7665 -14.7665 -14.7066 -14.7066 -14.6567 -14.6567 -1.0596 -1.0596 -0.7829 -0.7829 -0.4814 -0.4814 -0.3600 -0.3600 -0.2586 -0.2586 0.0336 0.0336 0.1168 0.1168 0.1375 0.1375 0.2922 0.2922 0.3448 0.3448 0.3554 0.3554 0.4771 0.4771 0.5174 0.5174 0.8100 0.8100 0.9785 0.9785 1.1814 1.1814 1.2655 1.2655 1.3134 1.3134 k = 0.1092 0.1263-0.0232 ( 27789 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7915 -16.7915 -14.7781 -14.7781 -14.7665 -14.7665 -14.7066 -14.7066 -14.6568 -14.6568 -1.0512 -1.0512 -0.7817 -0.7817 -0.4814 -0.4814 -0.3600 -0.3600 -0.2585 -0.2585 0.0334 0.0334 0.1104 0.1104 0.1316 0.1316 0.2922 0.2922 0.3401 0.3401 0.3545 0.3545 0.4764 0.4764 0.5141 0.5141 0.8094 0.8094 0.9824 0.9824 1.1498 1.1498 1.2650 1.2650 1.3137 1.3137 k = 0.1274 0.1474-0.0270 ( 27786 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7915 -16.7915 -14.7781 -14.7781 -14.7665 -14.7665 -14.7066 -14.7066 -14.6568 -14.6568 -1.0416 -1.0416 -0.7803 -0.7803 -0.4814 -0.4814 -0.3599 -0.3599 -0.2583 -0.2583 0.0331 0.0331 0.0997 0.0997 0.1285 0.1285 0.2923 0.2923 0.3356 0.3356 0.3537 0.3537 0.4753 0.4753 0.5100 0.5100 0.8086 0.8086 0.9867 0.9867 1.1187 1.1187 1.2639 1.2639 1.3141 1.3141 k = 0.1456 0.1684-0.0309 ( 27790 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7781 -14.7781 -14.7665 -14.7665 -14.7066 -14.7066 -14.6568 -14.6568 -1.0311 -1.0311 -0.7783 -0.7783 -0.4813 -0.4813 -0.3599 -0.3599 -0.2580 -0.2580 0.0325 0.0325 0.0864 0.0864 0.1271 0.1271 0.2924 0.2924 0.3314 0.3314 0.3529 0.3529 0.4739 0.4739 0.5052 0.5052 0.8077 0.8077 0.9914 0.9914 1.0888 1.0888 1.2618 1.2618 1.3144 1.3144 k = 0.1638 0.1895-0.0348 ( 27796 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7781 -14.7781 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -1.0198 -1.0198 -0.7759 -0.7759 -0.4812 -0.4812 -0.3599 -0.3599 -0.2576 -0.2576 0.0315 0.0315 0.0719 0.0719 0.1265 0.1265 0.2924 0.2924 0.3276 0.3276 0.3521 0.3521 0.4717 0.4717 0.4999 0.4999 0.8066 0.8066 0.9965 0.9965 1.0608 1.0608 1.2584 1.2584 1.3143 1.3143 k = 0.1821 0.2105-0.0386 ( 27796 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7781 -14.7781 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -1.0081 -1.0081 -0.7728 -0.7728 -0.4811 -0.4811 -0.3598 -0.3598 -0.2571 -0.2571 0.0292 0.0292 0.0581 0.0581 0.1263 0.1263 0.2925 0.2925 0.3243 0.3243 0.3514 0.3514 0.4683 0.4683 0.4945 0.4945 0.8054 0.8054 1.0018 1.0018 1.0351 1.0351 1.2536 1.2536 1.3138 1.3138 k = 0.2003 0.2316-0.0425 ( 27804 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7781 -14.7781 -14.7666 -14.7666 -14.7065 -14.7065 -14.6568 -14.6568 -0.9963 -0.9963 -0.7691 -0.7691 -0.4810 -0.4810 -0.3598 -0.3598 -0.2564 -0.2564 0.0237 0.0237 0.0473 0.0473 0.1265 0.1265 0.2925 0.2925 0.3214 0.3214 0.3508 0.3508 0.4628 0.4628 0.4898 0.4898 0.8039 0.8039 1.0045 1.0045 1.0149 1.0149 1.2472 1.2472 1.3129 1.3129 k = 0.2185 0.2526-0.0463 ( 27816 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7666 -14.7666 -14.7065 -14.7065 -14.6568 -14.6568 -0.9847 -0.9847 -0.7644 -0.7644 -0.4809 -0.4809 -0.3597 -0.3597 -0.2556 -0.2556 0.0134 0.0134 0.0417 0.0417 0.1269 0.1269 0.2926 0.2926 0.3190 0.3190 0.3502 0.3502 0.4549 0.4549 0.4863 0.4863 0.8023 0.8023 0.9884 0.9884 1.0166 1.0166 1.2393 1.2393 1.3116 1.3116 k = 0.2367 0.2737-0.0502 ( 27826 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7667 -14.7667 -14.7065 -14.7065 -14.6568 -14.6568 -0.9736 -0.9736 -0.7589 -0.7589 -0.4808 -0.4808 -0.3597 -0.3597 -0.2545 -0.2545 0.0006 0.0006 0.0395 0.0395 0.1276 0.1276 0.2926 0.2926 0.3169 0.3169 0.3497 0.3497 0.4447 0.4447 0.4839 0.4839 0.8004 0.8004 0.9701 0.9701 1.0238 1.0238 1.2300 1.2300 1.3100 1.3100 k = 0.2549 0.2948-0.0541 ( 27827 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7667 -14.7667 -14.7065 -14.7065 -14.6569 -14.6569 -0.9633 -0.9633 -0.7523 -0.7523 -0.4807 -0.4807 -0.3596 -0.3596 -0.2532 -0.2532 -0.0122 -0.0122 0.0385 0.0385 0.1285 0.1285 0.2926 0.2926 0.3152 0.3152 0.3494 0.3494 0.4328 0.4328 0.4823 0.4823 0.7983 0.7983 0.9540 0.9540 1.0321 1.0321 1.2195 1.2195 1.3082 1.3082 k = 0.2731 0.3158-0.0579 ( 27832 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0922 -46.0922 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7667 -14.7667 -14.7064 -14.7064 -14.6569 -14.6569 -0.9540 -0.9540 -0.7449 -0.7449 -0.4806 -0.4806 -0.3595 -0.3595 -0.2516 -0.2516 -0.0242 -0.0242 0.0380 0.0380 0.1298 0.1298 0.2926 0.2926 0.3137 0.3137 0.3491 0.3491 0.4196 0.4196 0.4811 0.4811 0.7960 0.7960 0.9400 0.9400 1.0415 1.0415 1.2080 1.2080 1.3063 1.3063 k = 0.2913 0.3369-0.0618 ( 27835 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0922 -46.0922 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7916 -16.7916 -14.7780 -14.7780 -14.7668 -14.7668 -14.7064 -14.7064 -14.6569 -14.6569 -0.9458 -0.9458 -0.7366 -0.7366 -0.4804 -0.4804 -0.3594 -0.3594 -0.2498 -0.2498 -0.0347 -0.0347 0.0378 0.0378 0.1315 0.1315 0.2925 0.2925 0.3125 0.3125 0.3490 0.3490 0.4056 0.4056 0.4802 0.4802 0.7935 0.7935 0.9282 0.9282 1.0520 1.0520 1.1957 1.1957 1.3044 1.3044 k = 0.3095 0.3579-0.0656 ( 27849 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0922 -46.0922 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7779 -14.7779 -14.7668 -14.7668 -14.7064 -14.7064 -14.6569 -14.6569 -0.9389 -0.9389 -0.7277 -0.7277 -0.4803 -0.4803 -0.3593 -0.3593 -0.2479 -0.2479 -0.0435 -0.0435 0.0376 0.0376 0.1334 0.1334 0.2925 0.2925 0.3115 0.3115 0.3489 0.3489 0.3912 0.3912 0.4795 0.4795 0.7908 0.7908 0.9183 0.9183 1.0636 1.0636 1.1831 1.1831 1.3025 1.3025 k = 0.3277 0.3790-0.0695 ( 27845 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7779 -14.7779 -14.7668 -14.7668 -14.7064 -14.7064 -14.6569 -14.6569 -0.9331 -0.9331 -0.7185 -0.7185 -0.4801 -0.4801 -0.3592 -0.3592 -0.2457 -0.2457 -0.0505 -0.0505 0.0376 0.0376 0.1358 0.1358 0.2924 0.2924 0.3106 0.3106 0.3488 0.3488 0.3768 0.3768 0.4788 0.4788 0.7880 0.7880 0.9101 0.9101 1.0765 1.0765 1.1706 1.1706 1.3006 1.3006 k = 0.3459 0.4000-0.0734 ( 27858 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7779 -14.7779 -14.7669 -14.7669 -14.7063 -14.7063 -14.6570 -14.6570 -0.9285 -0.9285 -0.7092 -0.7092 -0.4799 -0.4799 -0.3591 -0.3591 -0.2434 -0.2434 -0.0556 -0.0556 0.0377 0.0377 0.1384 0.1384 0.2923 0.2923 0.3097 0.3097 0.3483 0.3483 0.3632 0.3632 0.4783 0.4783 0.7850 0.7850 0.9034 0.9034 1.0901 1.0901 1.1590 1.1590 1.2989 1.2989 k = 0.3641 0.4211-0.0772 ( 27849 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7779 -14.7779 -14.7669 -14.7669 -14.7063 -14.7063 -14.6570 -14.6570 -0.9248 -0.9248 -0.7002 -0.7002 -0.4797 -0.4797 -0.3590 -0.3590 -0.2412 -0.2412 -0.0590 -0.0590 0.0377 0.0377 0.1415 0.1415 0.2921 0.2921 0.3087 0.3087 0.3450 0.3450 0.3533 0.3533 0.4778 0.4778 0.7820 0.7820 0.8980 0.8980 1.1029 1.1029 1.1505 1.1505 1.2974 1.2974 k = 0.3823 0.4421-0.0811 ( 27847 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7779 -14.7779 -14.7669 -14.7669 -14.7063 -14.7063 -14.6570 -14.6570 -0.9219 -0.9219 -0.6917 -0.6917 -0.4796 -0.4796 -0.3589 -0.3589 -0.2390 -0.2390 -0.0606 -0.0606 0.0379 0.0379 0.1448 0.1448 0.2920 0.2920 0.3072 0.3072 0.3353 0.3353 0.3512 0.3512 0.4774 0.4774 0.7789 0.7789 0.8936 0.8936 1.1092 1.1092 1.1510 1.1510 1.2960 1.2960 k = 0.4005 0.4632-0.0850 ( 27851 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7779 -14.7779 -14.7670 -14.7670 -14.7062 -14.7062 -14.6570 -14.6570 -0.9196 -0.9196 -0.6840 -0.6840 -0.4794 -0.4794 -0.3588 -0.3588 -0.2370 -0.2370 -0.0610 -0.0610 0.0380 0.0380 0.1484 0.1484 0.2917 0.2917 0.3045 0.3045 0.3260 0.3260 0.3510 0.3510 0.4770 0.4770 0.7758 0.7758 0.8902 0.8902 1.1055 1.1055 1.1647 1.1647 1.2950 1.2950 k = 0.4187 0.4842-0.0888 ( 27862 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7778 -14.7778 -14.7670 -14.7670 -14.7062 -14.7062 -14.6571 -14.6571 -0.9178 -0.9178 -0.6772 -0.6772 -0.4792 -0.4792 -0.3586 -0.3586 -0.2352 -0.2352 -0.0602 -0.0602 0.0382 0.0382 0.1520 0.1520 0.2912 0.2912 0.2998 0.2998 0.3201 0.3201 0.3510 0.3510 0.4766 0.4766 0.7728 0.7728 0.8876 0.8876 1.0974 1.0974 1.1862 1.1862 1.2944 1.2944 k = 0.4369 0.5053-0.0927 ( 27872 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8098 -16.8098 -16.7918 -16.7918 -14.7778 -14.7778 -14.7670 -14.7670 -14.7061 -14.7061 -14.6571 -14.6571 -0.9164 -0.9164 -0.6713 -0.6713 -0.4790 -0.4790 -0.3585 -0.3585 -0.2337 -0.2337 -0.0588 -0.0588 0.0383 0.0383 0.1556 0.1556 0.2895 0.2895 0.2946 0.2946 0.3172 0.3172 0.3511 0.3511 0.4762 0.4762 0.7697 0.7697 0.8858 0.8858 1.0889 1.0889 1.2117 1.2117 1.2944 1.2944 k = 0.4369 0.5053-0.0927 ( 27872 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8098 -16.8098 -16.7918 -16.7918 -14.7778 -14.7778 -14.7670 -14.7670 -14.7061 -14.7061 -14.6571 -14.6571 -0.9164 -0.9164 -0.6713 -0.6713 -0.4790 -0.4790 -0.3585 -0.3585 -0.2337 -0.2337 -0.0588 -0.0588 0.0383 0.0383 0.1556 0.1556 0.2895 0.2895 0.2946 0.2946 0.3172 0.3172 0.3511 0.3511 0.4762 0.4762 0.7697 0.7697 0.8858 0.8858 1.0889 1.0889 1.2117 1.2117 1.2944 1.2944 k = 0.4413 0.5104-0.0651 ( 27871 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4876 -50.4876 -46.0921 -46.0921 -46.0772 -46.0772 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8097 -16.8097 -16.7919 -16.7919 -14.7778 -14.7778 -14.7672 -14.7672 -14.7057 -14.7057 -14.6573 -14.6573 -0.9069 -0.9069 -0.6621 -0.6621 -0.4762 -0.4762 -0.3562 -0.3562 -0.2330 -0.2330 -0.0558 -0.0558 0.0387 0.0387 0.1568 0.1568 0.2874 0.2874 0.2939 0.2939 0.3220 0.3220 0.3484 0.3484 0.4715 0.4715 0.7499 0.7499 0.9111 0.9111 1.0876 1.0876 1.2125 1.2125 1.2866 1.2866 k = 0.4457 0.5154-0.0374 ( 27881 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4877 -50.4877 -46.0920 -46.0920 -46.0773 -46.0773 -45.9969 -45.9969 -45.9949 -45.9949 -30.2667 -30.2667 -30.2628 -30.2628 -16.8096 -16.8096 -16.7920 -16.7920 -14.7779 -14.7779 -14.7675 -14.7675 -14.7052 -14.7052 -14.6577 -14.6577 -0.8942 -0.8942 -0.6498 -0.6498 -0.4724 -0.4724 -0.3533 -0.3533 -0.2321 -0.2321 -0.0518 -0.0518 0.0391 0.0391 0.1583 0.1583 0.2837 0.2837 0.2920 0.2920 0.3284 0.3284 0.3462 0.3462 0.4656 0.4656 0.7308 0.7308 0.9367 0.9367 1.0853 1.0853 1.2140 1.2140 1.2772 1.2772 k = 0.4501 0.5205-0.0098 ( 27869 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4924 -50.4924 -50.4877 -50.4877 -46.0918 -46.0918 -46.0775 -46.0775 -45.9969 -45.9969 -45.9949 -45.9949 -30.2666 -30.2666 -30.2628 -30.2628 -16.8094 -16.8094 -16.7922 -16.7922 -14.7779 -14.7779 -14.7678 -14.7678 -14.7045 -14.7045 -14.6581 -14.6581 -0.8783 -0.8783 -0.6344 -0.6344 -0.4677 -0.4677 -0.3496 -0.3496 -0.2309 -0.2309 -0.0469 -0.0469 0.0398 0.0398 0.1601 0.1601 0.2782 0.2782 0.2896 0.2896 0.3310 0.3310 0.3490 0.3490 0.4591 0.4591 0.7127 0.7127 0.9621 0.9621 1.0822 1.0822 1.2158 1.2158 1.2670 1.2670 k = 0.4544 0.5256 0.0178 ( 27858 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4924 -50.4924 -50.4878 -50.4878 -46.0916 -46.0916 -46.0777 -46.0777 -45.9969 -45.9969 -45.9950 -45.9950 -30.2666 -30.2666 -30.2629 -30.2629 -16.8092 -16.8092 -16.7925 -16.7925 -14.7779 -14.7779 -14.7682 -14.7682 -14.7037 -14.7037 -14.6586 -14.6586 -0.8593 -0.8593 -0.6161 -0.6161 -0.4621 -0.4621 -0.3453 -0.3453 -0.2294 -0.2294 -0.0411 -0.0411 0.0407 0.0407 0.1623 0.1623 0.2711 0.2711 0.2870 0.2870 0.3269 0.3269 0.3578 0.3578 0.4530 0.4530 0.6961 0.6961 0.9870 0.9870 1.0783 1.0783 1.2168 1.2168 1.2572 1.2572 k = 0.4588 0.5306 0.0454 ( 27843 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4923 -50.4923 -50.4878 -50.4878 -46.0914 -46.0914 -46.0779 -46.0779 -45.9969 -45.9969 -45.9950 -45.9950 -30.2665 -30.2665 -30.2629 -30.2629 -16.8090 -16.8090 -16.7928 -16.7928 -14.7779 -14.7779 -14.7686 -14.7686 -14.7027 -14.7027 -14.6592 -14.6592 -0.8373 -0.8373 -0.5950 -0.5950 -0.4555 -0.4555 -0.3403 -0.3403 -0.2277 -0.2277 -0.0344 -0.0344 0.0419 0.0419 0.1647 0.1647 0.2630 0.2630 0.2841 0.2841 0.3202 0.3202 0.3665 0.3665 0.4493 0.4493 0.6816 0.6816 1.0110 1.0110 1.0739 1.0739 1.2148 1.2148 1.2505 1.2505 k = 0.4632 0.5357 0.0731 ( 27837 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4922 -50.4922 -50.4879 -50.4879 -46.0912 -46.0912 -46.0781 -46.0781 -45.9968 -45.9968 -45.9950 -45.9950 -30.2664 -30.2664 -30.2630 -30.2630 -16.8087 -16.8087 -16.7931 -16.7931 -14.7779 -14.7779 -14.7691 -14.7691 -14.7017 -14.7017 -14.6599 -14.6599 -0.8124 -0.8124 -0.5713 -0.5713 -0.4480 -0.4480 -0.3347 -0.3347 -0.2257 -0.2257 -0.0271 -0.0271 0.0435 0.0435 0.1674 0.1674 0.2542 0.2542 0.2807 0.2807 0.3121 0.3121 0.3702 0.3702 0.4501 0.4501 0.6701 0.6701 1.0330 1.0330 1.0691 1.0691 1.2081 1.2081 1.2490 1.2490 k = 0.4676 0.5408 0.1007 ( 27832 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4921 -50.4921 -50.4880 -50.4880 -46.0909 -46.0909 -46.0784 -46.0784 -45.9968 -45.9968 -45.9950 -45.9950 -30.2664 -30.2664 -30.2630 -30.2630 -16.8084 -16.8084 -16.7934 -16.7934 -14.7779 -14.7779 -14.7696 -14.7696 -14.7006 -14.7006 -14.6607 -14.6607 -0.7848 -0.7848 -0.5453 -0.5453 -0.4394 -0.4394 -0.3287 -0.3287 -0.2234 -0.2234 -0.0193 -0.0193 0.0455 0.0455 0.1701 0.1701 0.2454 0.2454 0.2766 0.2766 0.3033 0.3033 0.3670 0.3670 0.4556 0.4556 0.6633 0.6633 1.0507 1.0507 1.0653 1.0653 1.1987 1.1987 1.2518 1.2518 k = 0.4720 0.5458 0.1283 ( 27832 PWs) bands (ev): -81.6259 -81.6259 -81.6247 -81.6247 -50.4920 -50.4920 -50.4881 -50.4881 -46.0906 -46.0906 -46.0787 -46.0787 -45.9968 -45.9968 -45.9951 -45.9951 -30.2663 -30.2663 -30.2631 -30.2631 -16.8081 -16.8081 -16.7938 -16.7938 -14.7779 -14.7779 -14.7701 -14.7701 -14.6994 -14.6994 -14.6615 -14.6615 -0.7547 -0.7547 -0.5175 -0.5175 -0.4298 -0.4298 -0.3222 -0.3222 -0.2207 -0.2207 -0.0112 -0.0112 0.0479 0.0479 0.1729 0.1729 0.2370 0.2370 0.2714 0.2714 0.2941 0.2941 0.3583 0.3583 0.4619 0.4619 0.6634 0.6634 1.0543 1.0543 1.0704 1.0704 1.1903 1.1903 1.2568 1.2568 k = 0.4764 0.5509 0.1559 ( 27830 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4919 -50.4919 -50.4882 -50.4882 -46.0903 -46.0903 -46.0790 -46.0790 -45.9968 -45.9968 -45.9951 -45.9951 -30.2662 -30.2662 -30.2632 -30.2632 -16.8077 -16.8077 -16.7942 -16.7942 -14.7778 -14.7778 -14.7706 -14.7706 -14.6981 -14.6981 -14.6624 -14.6624 -0.7223 -0.7223 -0.4885 -0.4885 -0.4187 -0.4187 -0.3153 -0.3153 -0.2174 -0.2174 -0.0031 -0.0031 0.0510 0.0510 0.1756 0.1756 0.2298 0.2298 0.2645 0.2645 0.2853 0.2853 0.3462 0.3462 0.4645 0.4645 0.6728 0.6728 1.0494 1.0494 1.0757 1.0757 1.1865 1.1865 1.2628 1.2628 k = 0.4807 0.5560 0.1836 ( 27821 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4918 -50.4918 -50.4883 -50.4883 -46.0899 -46.0899 -46.0794 -46.0794 -45.9967 -45.9967 -45.9951 -45.9951 -30.2661 -30.2661 -30.2633 -30.2633 -16.8073 -16.8073 -16.7947 -16.7947 -14.7778 -14.7778 -14.7711 -14.7711 -14.6967 -14.6967 -14.6634 -14.6634 -0.6879 -0.6879 -0.4599 -0.4599 -0.4053 -0.4053 -0.3082 -0.3082 -0.2133 -0.2133 0.0048 0.0048 0.0546 0.0546 0.1780 0.1780 0.2246 0.2246 0.2555 0.2555 0.2776 0.2776 0.3324 0.3324 0.4609 0.4609 0.6923 0.6923 1.0435 1.0435 1.0716 1.0716 1.1896 1.1896 1.2693 1.2693 k = 0.4851 0.5610 0.2112 ( 27822 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4917 -50.4917 -50.4884 -50.4884 -46.0895 -46.0895 -46.0797 -46.0797 -45.9967 -45.9967 -45.9952 -45.9952 -30.2660 -30.2660 -30.2634 -30.2634 -16.8069 -16.8069 -16.7952 -16.7952 -14.7778 -14.7778 -14.7716 -14.7716 -14.6953 -14.6953 -14.6645 -14.6645 -0.6519 -0.6519 -0.4341 -0.4341 -0.3879 -0.3879 -0.3009 -0.3009 -0.2080 -0.2080 0.0119 0.0119 0.0586 0.0586 0.1800 0.1800 0.2218 0.2218 0.2445 0.2445 0.2709 0.2709 0.3179 0.3179 0.4509 0.4509 0.7208 0.7208 1.0370 1.0370 1.0583 1.0583 1.1977 1.1977 1.2757 1.2757 k = 0.4895 0.5661 0.2388 ( 27824 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4916 -50.4916 -50.4885 -50.4885 -46.0892 -46.0892 -46.0801 -46.0801 -45.9966 -45.9966 -45.9952 -45.9952 -30.2659 -30.2659 -30.2635 -30.2635 -16.8064 -16.8064 -16.7957 -16.7957 -14.7777 -14.7777 -14.7722 -14.7722 -14.6939 -14.6939 -14.6656 -14.6656 -0.6147 -0.6147 -0.4137 -0.4137 -0.3651 -0.3651 -0.2935 -0.2935 -0.2010 -0.2010 0.0181 0.0181 0.0629 0.0629 0.1818 0.1818 0.2203 0.2203 0.2336 0.2336 0.2648 0.2648 0.3037 0.3037 0.4359 0.4359 0.7562 0.7562 1.0265 1.0265 1.0411 1.0411 1.2071 1.2071 1.2819 1.2819 k = 0.4939 0.5712 0.2664 ( 27812 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4915 -50.4915 -50.4887 -50.4887 -46.0887 -46.0887 -46.0806 -46.0806 -45.9966 -45.9966 -45.9953 -45.9953 -30.2658 -30.2658 -30.2636 -30.2636 -16.8059 -16.8059 -16.7962 -16.7962 -14.7777 -14.7777 -14.7727 -14.7727 -14.6924 -14.6924 -14.6668 -14.6668 -0.5768 -0.5768 -0.3980 -0.3980 -0.3392 -0.3392 -0.2860 -0.2860 -0.1909 -0.1909 0.0231 0.0231 0.0673 0.0673 0.1839 0.1839 0.2127 0.2127 0.2295 0.2295 0.2594 0.2594 0.2913 0.2913 0.4171 0.4171 0.7962 0.7962 1.0015 1.0015 1.0319 1.0319 1.2134 1.2134 1.2875 1.2875 k = 0.4983 0.5762 0.2941 ( 27815 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4913 -50.4913 -50.4888 -50.4888 -46.0883 -46.0883 -46.0810 -46.0810 -45.9966 -45.9966 -45.9953 -45.9953 -30.2657 -30.2657 -30.2637 -30.2637 -16.8054 -16.8054 -16.7967 -16.7967 -14.7776 -14.7776 -14.7732 -14.7732 -14.6908 -14.6908 -14.6680 -14.6680 -0.5391 -0.5391 -0.3851 -0.3851 -0.3146 -0.3146 -0.2786 -0.2786 -0.1761 -0.1761 0.0268 0.0268 0.0718 0.0718 0.1854 0.1854 0.2005 0.2005 0.2282 0.2282 0.2559 0.2559 0.2840 0.2840 0.3954 0.3954 0.8376 0.8376 0.9668 0.9668 1.0272 1.0272 1.2113 1.2113 1.2925 1.2925 k = 0.5026 0.5813 0.3217 ( 27800 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4912 -50.4912 -50.4889 -50.4889 -46.0879 -46.0879 -46.0814 -46.0814 -45.9965 -45.9965 -45.9953 -45.9953 -30.2656 -30.2656 -30.2639 -30.2639 -16.8049 -16.8049 -16.7973 -16.7973 -14.7775 -14.7775 -14.7737 -14.7737 -14.6893 -14.6893 -14.6693 -14.6693 -0.5022 -0.5022 -0.3737 -0.3737 -0.2947 -0.2947 -0.2712 -0.2712 -0.1552 -0.1552 0.0293 0.0293 0.0768 0.0768 0.1782 0.1782 0.1956 0.1956 0.2220 0.2220 0.2528 0.2528 0.2878 0.2878 0.3716 0.3716 0.8670 0.8670 0.9369 0.9369 1.0243 1.0243 1.1974 1.1974 1.2966 1.2966 k = 0.5070 0.5864 0.3493 ( 27788 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4910 -50.4910 -50.4891 -50.4891 -46.0874 -46.0874 -46.0819 -46.0819 -45.9965 -45.9965 -45.9954 -45.9954 -30.2654 -30.2654 -30.2640 -30.2640 -16.8044 -16.8044 -16.7978 -16.7978 -14.7773 -14.7773 -14.7741 -14.7741 -14.6877 -14.6877 -14.6706 -14.6706 -0.4671 -0.4671 -0.3637 -0.3637 -0.2806 -0.2806 -0.2643 -0.2643 -0.1279 -0.1279 0.0310 0.0310 0.0826 0.0826 0.1629 0.1629 0.1955 0.1955 0.2141 0.2141 0.2470 0.2470 0.3046 0.3046 0.3465 0.3465 0.8409 0.8409 0.9546 0.9546 1.0238 1.0238 1.1758 1.1758 1.2989 1.2989 k = 0.5114 0.5914 0.3769 ( 27775 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4909 -50.4909 -50.4892 -50.4892 -46.0870 -46.0870 -46.0823 -46.0823 -45.9965 -45.9965 -45.9954 -45.9954 -30.2653 -30.2653 -30.2641 -30.2641 -16.8038 -16.8038 -16.7984 -16.7984 -14.7772 -14.7772 -14.7746 -14.7746 -14.6861 -14.6861 -14.6720 -14.6720 -0.4349 -0.4349 -0.3550 -0.3550 -0.2711 -0.2711 -0.2586 -0.2586 -0.0959 -0.0959 0.0327 0.0327 0.0893 0.0893 0.1461 0.1461 0.1877 0.1877 0.2133 0.2133 0.2392 0.2392 0.3192 0.3192 0.3327 0.3327 0.7845 0.7845 0.9910 0.9910 1.0304 1.0304 1.1539 1.1539 1.2984 1.2984 k = 0.5158 0.5965 0.4046 ( 27775 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4908 -50.4908 -50.4893 -50.4893 -46.0865 -46.0865 -46.0828 -46.0828 -45.9964 -45.9964 -45.9954 -45.9954 -30.2652 -30.2652 -30.2642 -30.2642 -16.8033 -16.8033 -16.7990 -16.7990 -14.7770 -14.7770 -14.7750 -14.7750 -14.6845 -14.6845 -14.6735 -14.6735 -0.4065 -0.4065 -0.3481 -0.3481 -0.2644 -0.2644 -0.2546 -0.2546 -0.0615 -0.0615 0.0349 0.0349 0.0961 0.0961 0.1291 0.1291 0.1752 0.1752 0.2178 0.2178 0.2297 0.2297 0.2955 0.2955 0.3654 0.3654 0.7213 0.7213 1.0085 1.0085 1.0590 1.0590 1.1357 1.1357 1.2947 1.2947 k = 0.5202 0.6016 0.4322 ( 27778 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4907 -50.4907 -50.4894 -50.4894 -46.0860 -46.0860 -46.0833 -46.0833 -45.9964 -45.9964 -45.9955 -45.9955 -30.2650 -30.2650 -30.2644 -30.2644 -16.8027 -16.8027 -16.7996 -16.7996 -14.7768 -14.7768 -14.7753 -14.7753 -14.6829 -14.6829 -14.6749 -14.6749 -0.3829 -0.3829 -0.3435 -0.3435 -0.2594 -0.2594 -0.2521 -0.2521 -0.0272 -0.0272 0.0378 0.0378 0.1005 0.1005 0.1141 0.1141 0.1639 0.1639 0.2161 0.2161 0.2252 0.2252 0.2741 0.2741 0.4059 0.4059 0.6569 0.6569 1.0133 1.0133 1.0938 1.0938 1.1267 1.1267 1.2872 1.2872 k = 0.5245 0.6066 0.4598 ( 27763 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4906 -50.4906 -50.4895 -50.4895 -46.0856 -46.0856 -46.0837 -46.0837 -45.9964 -45.9964 -45.9955 -45.9955 -30.2649 -30.2649 -30.2645 -30.2645 -16.8021 -16.8021 -16.8002 -16.8002 -14.7766 -14.7766 -14.7757 -14.7757 -14.6813 -14.6813 -14.6764 -14.6764 -0.3647 -0.3647 -0.3418 -0.3418 -0.2557 -0.2557 -0.2511 -0.2511 0.0042 0.0042 0.0394 0.0394 0.0950 0.0950 0.1072 0.1072 0.1594 0.1594 0.2007 0.2007 0.2321 0.2321 0.2575 0.2575 0.4527 0.4527 0.5939 0.5939 1.0168 1.0168 1.0982 1.0982 1.1490 1.1490 1.2747 1.2747 k = 0.5289 0.6117 0.4874 ( 27774 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0852 -46.0852 -46.0841 -46.0841 -45.9964 -45.9964 -45.9955 -45.9955 -30.2648 -30.2648 -30.2646 -30.2646 -16.8015 -16.8015 -16.8008 -16.8008 -14.7763 -14.7763 -14.7760 -14.7760 -14.6797 -14.6797 -14.6780 -14.6780 -0.3521 -0.3521 -0.3439 -0.3439 -0.2534 -0.2534 -0.2511 -0.2511 0.0283 0.0283 0.0342 0.0342 0.0907 0.0907 0.1018 0.1018 0.1648 0.1648 0.1843 0.1843 0.2400 0.2400 0.2459 0.2459 0.5056 0.5056 0.5341 0.5341 1.0211 1.0211 1.0902 1.0902 1.1797 1.1797 1.2557 1.2557 k = 0.5333 0.6168 0.5151 ( 27778 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2648 -30.2648 -30.2646 -30.2646 -16.8014 -16.8014 -16.8009 -16.8009 -14.7763 -14.7763 -14.7760 -14.7760 -14.6795 -14.6795 -14.6782 -14.6782 -0.3507 -0.3507 -0.3447 -0.3447 -0.2533 -0.2533 -0.2509 -0.2509 0.0137 0.0137 0.0449 0.0449 0.0939 0.0939 0.1008 0.1008 0.1674 0.1674 0.1809 0.1809 0.2361 0.2361 0.2512 0.2512 0.4785 0.4785 0.5639 0.5639 1.0265 1.0265 1.0827 1.0827 1.2031 1.2031 1.2298 1.2298 k = 0.5333 0.6168 0.5151 ( 27778 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2648 -30.2648 -30.2646 -30.2646 -16.8014 -16.8014 -16.8009 -16.8009 -14.7763 -14.7763 -14.7760 -14.7760 -14.6795 -14.6795 -14.6782 -14.6782 -0.3507 -0.3507 -0.3447 -0.3447 -0.2533 -0.2533 -0.2509 -0.2509 0.0137 0.0137 0.0449 0.0449 0.0939 0.0939 0.1008 0.1008 0.1674 0.1674 0.1809 0.1809 0.2361 0.2361 0.2512 0.2512 0.4785 0.4785 0.5639 0.5639 1.0265 1.0265 1.0827 1.0827 1.2031 1.2031 1.2298 1.2298 k = 0.5172 0.5982 0.5305 ( 27778 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0852 -46.0852 -46.0841 -46.0841 -45.9964 -45.9964 -45.9955 -45.9955 -30.2648 -30.2648 -30.2646 -30.2646 -16.8016 -16.8016 -16.8007 -16.8007 -14.7764 -14.7764 -14.7759 -14.7759 -14.6800 -14.6800 -14.6777 -14.6777 -0.3539 -0.3539 -0.3434 -0.3434 -0.2536 -0.2536 -0.2511 -0.2511 0.0121 0.0121 0.0443 0.0443 0.0951 0.0951 0.1016 0.1016 0.1652 0.1652 0.1855 0.1855 0.2359 0.2359 0.2534 0.2534 0.4699 0.4699 0.5724 0.5724 1.0468 1.0468 1.0646 1.0646 1.2011 1.2011 1.2202 1.2202 k = 0.5012 0.5796 0.5460 ( 27767 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0853 -46.0853 -46.0840 -46.0840 -45.9964 -45.9964 -45.9955 -45.9955 -30.2648 -30.2648 -30.2646 -30.2646 -16.8018 -16.8018 -16.8005 -16.8005 -14.7765 -14.7765 -14.7758 -14.7758 -14.6805 -14.6805 -14.6772 -14.6772 -0.3577 -0.3577 -0.3424 -0.3424 -0.2543 -0.2543 -0.2511 -0.2511 0.0097 0.0097 0.0430 0.0430 0.0950 0.0950 0.1038 0.1038 0.1625 0.1625 0.1913 0.1913 0.2348 0.2348 0.2554 0.2554 0.4627 0.4627 0.5806 0.5806 1.0456 1.0456 1.0683 1.0683 1.1774 1.1774 1.2385 1.2385 k = 0.4851 0.5610 0.5614 ( 27769 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4906 -50.4906 -50.4895 -50.4895 -46.0855 -46.0855 -46.0838 -46.0838 -45.9964 -45.9964 -45.9955 -45.9955 -30.2649 -30.2649 -30.2645 -30.2645 -16.8020 -16.8020 -16.8003 -16.8003 -14.7765 -14.7765 -14.7757 -14.7757 -14.6810 -14.6810 -14.6767 -14.6767 -0.3620 -0.3620 -0.3420 -0.3420 -0.2552 -0.2552 -0.2511 -0.2511 0.0064 0.0064 0.0409 0.0409 0.0949 0.0949 0.1061 0.1061 0.1603 0.1603 0.1973 0.1973 0.2332 0.2332 0.2570 0.2570 0.4561 0.4561 0.5891 0.5891 1.0272 1.0272 1.0886 1.0886 1.1571 1.1571 1.2604 1.2604 k = 0.4691 0.5425 0.5769 ( 27765 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4906 -50.4906 -50.4895 -50.4895 -46.0856 -46.0856 -46.0837 -46.0837 -45.9964 -45.9964 -45.9955 -45.9955 -30.2649 -30.2649 -30.2645 -30.2645 -16.8022 -16.8022 -16.8001 -16.8001 -14.7766 -14.7766 -14.7757 -14.7757 -14.6815 -14.6815 -14.6762 -14.6762 -0.3670 -0.3670 -0.3418 -0.3418 -0.2562 -0.2562 -0.2511 -0.2511 0.0019 0.0019 0.0383 0.0383 0.0953 0.0953 0.1080 0.1080 0.1589 0.1589 0.2033 0.2033 0.2311 0.2311 0.2580 0.2580 0.4493 0.4493 0.5986 0.5986 1.0101 1.0101 1.1019 1.1019 1.1459 1.1459 1.2852 1.2852 k = 0.4530 0.5239 0.5923 ( 27775 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4906 -50.4906 -50.4895 -50.4895 -46.0858 -46.0858 -46.0835 -46.0835 -45.9964 -45.9964 -45.9955 -45.9955 -30.2650 -30.2650 -30.2644 -30.2644 -16.8024 -16.8024 -16.7999 -16.7999 -14.7766 -14.7766 -14.7756 -14.7756 -14.6821 -14.6821 -14.6757 -14.6757 -0.3725 -0.3725 -0.3421 -0.3421 -0.2574 -0.2574 -0.2513 -0.2513 -0.0038 -0.0038 0.0355 0.0355 0.0960 0.0960 0.1098 0.1098 0.1584 0.1584 0.2091 0.2091 0.2289 0.2289 0.2584 0.2584 0.4416 0.4416 0.6096 0.6096 0.9950 0.9950 1.0976 1.0976 1.1528 1.1528 1.3126 1.3126 k = 0.4369 0.5053 0.6077 ( 27769 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4907 -50.4907 -50.4895 -50.4895 -46.0859 -46.0859 -46.0834 -46.0834 -45.9964 -45.9964 -45.9955 -45.9955 -30.2650 -30.2650 -30.2644 -30.2644 -16.8025 -16.8025 -16.7998 -16.7998 -14.7767 -14.7767 -14.7755 -14.7755 -14.6826 -14.6826 -14.6752 -14.6752 -0.3786 -0.3786 -0.3427 -0.3427 -0.2587 -0.2587 -0.2516 -0.2516 -0.0109 -0.0109 0.0327 0.0327 0.0965 0.0965 0.1120 0.1120 0.1588 0.1588 0.2144 0.2144 0.2268 0.2268 0.2584 0.2584 0.4323 0.4323 0.6223 0.6223 0.9825 0.9825 1.0839 1.0839 1.1684 1.1684 1.3420 1.3420 k = 0.4209 0.4867 0.6232 ( 27776 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4907 -50.4907 -50.4894 -50.4894 -46.0861 -46.0861 -46.0832 -46.0832 -45.9964 -45.9964 -45.9954 -45.9954 -30.2651 -30.2651 -30.2643 -30.2643 -16.8027 -16.8027 -16.7996 -16.7996 -14.7768 -14.7768 -14.7754 -14.7754 -14.6831 -14.6831 -14.6748 -14.6748 -0.3853 -0.3853 -0.3436 -0.3436 -0.2601 -0.2601 -0.2520 -0.2520 -0.0192 -0.0192 0.0304 0.0304 0.0966 0.0966 0.1148 0.1148 0.1599 0.1599 0.2181 0.2181 0.2259 0.2259 0.2580 0.2580 0.4209 0.4209 0.6367 0.6367 0.9728 0.9728 1.0687 1.0687 1.1828 1.1828 1.3552 1.3552 k = 0.4048 0.4681 0.6386 ( 27771 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4907 -50.4907 -50.4894 -50.4894 -46.0862 -46.0862 -46.0831 -46.0831 -45.9964 -45.9964 -45.9954 -45.9954 -30.2651 -30.2651 -30.2643 -30.2643 -16.8029 -16.8029 -16.7994 -16.7994 -14.7768 -14.7768 -14.7752 -14.7752 -14.6836 -14.6836 -14.6743 -14.6743 -0.3926 -0.3926 -0.3447 -0.3447 -0.2615 -0.2615 -0.2526 -0.2526 -0.0288 -0.0288 0.0285 0.0285 0.0961 0.0961 0.1180 0.1180 0.1618 0.1618 0.2184 0.2184 0.2282 0.2282 0.2577 0.2577 0.4073 0.4073 0.6528 0.6528 0.9661 0.9661 1.0537 1.0537 1.1930 1.1930 1.3583 1.3583 k = 0.3887 0.4496 0.6541 ( 27777 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4908 -50.4908 -50.4894 -50.4894 -46.0864 -46.0864 -46.0829 -46.0829 -45.9964 -45.9964 -45.9954 -45.9954 -30.2651 -30.2651 -30.2643 -30.2643 -16.8031 -16.8031 -16.7992 -16.7992 -14.7769 -14.7769 -14.7751 -14.7751 -14.6841 -14.6841 -14.6738 -14.6738 -0.4005 -0.4005 -0.3462 -0.3462 -0.2631 -0.2631 -0.2533 -0.2533 -0.0394 -0.0394 0.0270 0.0270 0.0951 0.0951 0.1213 0.1213 0.1643 0.1643 0.2168 0.2168 0.2320 0.2320 0.2578 0.2578 0.3917 0.3917 0.6702 0.6702 0.9623 0.9623 1.0395 1.0395 1.1984 1.1984 1.3672 1.3672 k = 0.3727 0.4310 0.6695 ( 27772 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4908 -50.4908 -50.4893 -50.4893 -46.0865 -46.0865 -46.0828 -46.0828 -45.9964 -45.9964 -45.9954 -45.9954 -30.2652 -30.2652 -30.2642 -30.2642 -16.8033 -16.8033 -16.7990 -16.7990 -14.7769 -14.7769 -14.7750 -14.7750 -14.6846 -14.6846 -14.6733 -14.6733 -0.4088 -0.4088 -0.3479 -0.3479 -0.2647 -0.2647 -0.2542 -0.2542 -0.0511 -0.0511 0.0260 0.0260 0.0939 0.0939 0.1245 0.1245 0.1677 0.1677 0.2150 0.2150 0.2355 0.2355 0.2590 0.2590 0.3745 0.3745 0.6887 0.6887 0.9611 0.9611 1.0260 1.0260 1.1998 1.1998 1.3808 1.3808 k = 0.3566 0.4124 0.6850 ( 27789 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4908 -50.4908 -50.4893 -50.4893 -46.0867 -46.0867 -46.0826 -46.0826 -45.9964 -45.9964 -45.9954 -45.9954 -30.2652 -30.2652 -30.2642 -30.2642 -16.8035 -16.8035 -16.7988 -16.7988 -14.7770 -14.7770 -14.7749 -14.7749 -14.6852 -14.6852 -14.6729 -14.6729 -0.4177 -0.4177 -0.3499 -0.3499 -0.2665 -0.2665 -0.2552 -0.2552 -0.0638 -0.0638 0.0254 0.0254 0.0924 0.0924 0.1273 0.1273 0.1717 0.1717 0.2133 0.2133 0.2381 0.2381 0.2616 0.2616 0.3563 0.3563 0.7078 0.7078 0.9618 0.9618 1.0138 1.0138 1.1989 1.1989 1.3960 1.3960 k = 0.3405 0.3938 0.7004 ( 27787 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4909 -50.4909 -50.4892 -50.4892 -46.0868 -46.0868 -46.0825 -46.0825 -45.9964 -45.9964 -45.9954 -45.9954 -30.2653 -30.2653 -30.2641 -30.2641 -16.8036 -16.8036 -16.7986 -16.7986 -14.7770 -14.7770 -14.7747 -14.7747 -14.6857 -14.6857 -14.6724 -14.6724 -0.4271 -0.4271 -0.3520 -0.3520 -0.2685 -0.2685 -0.2565 -0.2565 -0.0779 -0.0779 0.0252 0.0252 0.0908 0.0908 0.1297 0.1297 0.1765 0.1765 0.2120 0.2120 0.2396 0.2396 0.2659 0.2659 0.3380 0.3380 0.7273 0.7273 0.9630 0.9630 1.0037 1.0037 1.1968 1.1968 1.3968 1.3968 k = 0.3405 0.3938 0.7004 ( 27787 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4909 -50.4909 -50.4892 -50.4892 -46.0868 -46.0868 -46.0825 -46.0825 -45.9964 -45.9964 -45.9954 -45.9954 -30.2653 -30.2653 -30.2641 -30.2641 -16.8036 -16.8036 -16.7986 -16.7986 -14.7770 -14.7770 -14.7747 -14.7747 -14.6857 -14.6857 -14.6724 -14.6724 -0.4271 -0.4271 -0.3520 -0.3520 -0.2685 -0.2685 -0.2565 -0.2565 -0.0779 -0.0779 0.0252 0.0252 0.0908 0.0908 0.1297 0.1297 0.1765 0.1765 0.2120 0.2120 0.2396 0.2396 0.2659 0.2659 0.3380 0.3380 0.7273 0.7273 0.9630 0.9630 1.0037 1.0037 1.1968 1.1968 1.3968 1.3968 k = 0.3216 0.3719 0.7004 ( 27768 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4909 -50.4909 -50.4893 -50.4893 -46.0867 -46.0867 -46.0826 -46.0826 -45.9964 -45.9964 -45.9954 -45.9954 -30.2652 -30.2652 -30.2642 -30.2642 -16.8035 -16.8035 -16.7988 -16.7988 -14.7770 -14.7770 -14.7748 -14.7748 -14.6853 -14.6853 -14.6728 -14.6728 -0.4203 -0.4203 -0.3503 -0.3503 -0.2668 -0.2668 -0.2552 -0.2552 -0.0729 -0.0729 0.0242 0.0242 0.0923 0.0923 0.1221 0.1221 0.1708 0.1708 0.2138 0.2138 0.2378 0.2378 0.2545 0.2545 0.3377 0.3377 0.7211 0.7211 0.9702 0.9702 1.0128 1.0128 1.1909 1.1909 1.3747 1.3747 k = 0.3027 0.3501 0.7004 ( 27768 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4908 -50.4908 -50.4893 -50.4893 -46.0866 -46.0866 -46.0827 -46.0827 -45.9964 -45.9964 -45.9954 -45.9954 -30.2652 -30.2652 -30.2642 -30.2642 -16.8034 -16.8034 -16.7989 -16.7989 -14.7769 -14.7769 -14.7749 -14.7749 -14.6849 -14.6849 -14.6731 -14.6731 -0.4137 -0.4137 -0.3487 -0.3487 -0.2651 -0.2651 -0.2541 -0.2541 -0.0694 -0.0694 0.0226 0.0226 0.0932 0.0932 0.1151 0.1151 0.1648 0.1648 0.2152 0.2152 0.2353 0.2353 0.2449 0.2449 0.3378 0.3378 0.7172 0.7172 0.9781 0.9781 1.0207 1.0207 1.1871 1.1871 1.3504 1.3504 k = 0.2838 0.3282 0.7004 ( 27770 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4908 -50.4908 -50.4893 -50.4893 -46.0865 -46.0865 -46.0828 -46.0828 -45.9964 -45.9964 -45.9954 -45.9954 -30.2652 -30.2652 -30.2642 -30.2642 -16.8032 -16.8032 -16.7990 -16.7990 -14.7769 -14.7769 -14.7750 -14.7750 -14.6845 -14.6845 -14.6735 -14.6735 -0.4074 -0.4074 -0.3473 -0.3473 -0.2636 -0.2636 -0.2532 -0.2532 -0.0675 -0.0675 0.0201 0.0201 0.0925 0.0925 0.1101 0.1101 0.1586 0.1586 0.2159 0.2159 0.2305 0.2305 0.2388 0.2388 0.3393 0.3393 0.7152 0.7152 0.9861 0.9861 1.0259 1.0259 1.1873 1.1873 1.3274 1.3274 k = 0.2649 0.3063 0.7004 ( 27786 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4908 -50.4908 -50.4893 -50.4893 -46.0864 -46.0864 -46.0829 -46.0829 -45.9964 -45.9964 -45.9954 -45.9954 -30.2651 -30.2651 -30.2643 -30.2643 -16.8031 -16.8031 -16.7992 -16.7992 -14.7768 -14.7768 -14.7751 -14.7751 -14.6841 -14.6841 -14.6738 -14.6738 -0.4014 -0.4014 -0.3460 -0.3460 -0.2622 -0.2622 -0.2523 -0.2523 -0.0671 -0.0671 0.0161 0.0161 0.0893 0.0893 0.1083 0.1083 0.1522 0.1522 0.2155 0.2155 0.2242 0.2242 0.2359 0.2359 0.3432 0.3432 0.7146 0.7146 0.9933 0.9933 1.0275 1.0275 1.1928 1.1928 1.3066 1.3066 k = 0.2459 0.2844 0.7004 ( 27786 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4907 -50.4907 -50.4894 -50.4894 -46.0863 -46.0863 -46.0830 -46.0830 -45.9964 -45.9964 -45.9954 -45.9954 -30.2651 -30.2651 -30.2643 -30.2643 -16.8030 -16.8030 -16.7993 -16.7993 -14.7768 -14.7768 -14.7752 -14.7752 -14.6838 -14.6838 -14.6742 -14.6742 -0.3957 -0.3957 -0.3449 -0.3449 -0.2608 -0.2608 -0.2516 -0.2516 -0.0682 -0.0682 0.0101 0.0101 0.0851 0.0851 0.1090 0.1090 0.1458 0.1458 0.2133 0.2133 0.2195 0.2195 0.2337 0.2337 0.3501 0.3501 0.7151 0.7151 0.9981 0.9981 1.0261 1.0261 1.2039 1.2039 1.2892 1.2892 k = 0.2270 0.2625 0.7004 ( 27779 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4907 -50.4907 -50.4894 -50.4894 -46.0862 -46.0862 -46.0831 -46.0831 -45.9964 -45.9964 -45.9954 -45.9954 -30.2651 -30.2651 -30.2643 -30.2643 -16.8028 -16.8028 -16.7995 -16.7995 -14.7767 -14.7767 -14.7753 -14.7753 -14.6834 -14.6834 -14.6745 -14.6745 -0.3902 -0.3902 -0.3439 -0.3439 -0.2595 -0.2595 -0.2509 -0.2509 -0.0706 -0.0706 0.0019 0.0019 0.0814 0.0814 0.1107 0.1107 0.1395 0.1395 0.2091 0.2091 0.2168 0.2168 0.2316 0.2316 0.3603 0.3603 0.7162 0.7162 0.9978 0.9978 1.0246 1.0246 1.2198 1.2198 1.2761 1.2761 k = 0.2081 0.2407 0.7004 ( 27775 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4907 -50.4907 -50.4894 -50.4894 -46.0860 -46.0860 -46.0833 -46.0833 -45.9964 -45.9964 -45.9954 -45.9954 -30.2650 -30.2650 -30.2644 -30.2644 -16.8027 -16.8027 -16.7996 -16.7996 -14.7767 -14.7767 -14.7754 -14.7754 -14.6830 -14.6830 -14.6749 -14.6749 -0.3850 -0.3850 -0.3431 -0.3431 -0.2583 -0.2583 -0.2504 -0.2504 -0.0739 -0.0739 -0.0079 -0.0079 0.0786 0.0786 0.1128 0.1128 0.1334 0.1334 0.2045 0.2045 0.2146 0.2146 0.2297 0.2297 0.3738 0.3738 0.7175 0.7175 0.9913 0.9913 1.0243 1.0243 1.2381 1.2381 1.2692 1.2692 k = 0.1892 0.2188 0.7004 ( 27779 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4907 -50.4907 -50.4895 -50.4895 -46.0859 -46.0859 -46.0834 -46.0834 -45.9964 -45.9964 -45.9955 -45.9955 -30.2650 -30.2650 -30.2644 -30.2644 -16.8025 -16.8025 -16.7998 -16.7998 -14.7766 -14.7766 -14.7755 -14.7755 -14.6826 -14.6826 -14.6752 -14.6752 -0.3801 -0.3801 -0.3424 -0.3424 -0.2571 -0.2571 -0.2499 -0.2499 -0.0780 -0.0780 -0.0190 -0.0190 0.0767 0.0767 0.1145 0.1145 0.1281 0.1281 0.1997 0.1997 0.2128 0.2128 0.2279 0.2279 0.3903 0.3903 0.7184 0.7184 0.9811 0.9811 1.0234 1.0234 1.2525 1.2525 1.2745 1.2745 k = 0.1703 0.1969 0.7004 ( 27793 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4906 -50.4906 -50.4895 -50.4895 -46.0858 -46.0858 -46.0835 -46.0835 -45.9964 -45.9964 -45.9955 -45.9955 -30.2650 -30.2650 -30.2644 -30.2644 -16.8024 -16.8024 -16.7999 -16.7999 -14.7766 -14.7766 -14.7756 -14.7756 -14.6822 -14.6822 -14.6756 -14.6756 -0.3756 -0.3756 -0.3420 -0.3420 -0.2560 -0.2560 -0.2495 -0.2495 -0.0825 -0.0825 -0.0306 -0.0306 0.0755 0.0755 0.1148 0.1148 0.1247 0.1247 0.1949 0.1949 0.2112 0.2112 0.2261 0.2261 0.4093 0.4093 0.7184 0.7184 0.9696 0.9696 1.0203 1.0203 1.2597 1.2597 1.2944 1.2944 k = 0.1513 0.1750 0.7004 ( 27791 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4906 -50.4906 -50.4895 -50.4895 -46.0857 -46.0857 -46.0836 -46.0836 -45.9964 -45.9964 -45.9955 -45.9955 -30.2650 -30.2650 -30.2644 -30.2644 -16.8023 -16.8023 -16.8000 -16.8000 -14.7765 -14.7765 -14.7756 -14.7756 -14.6819 -14.6819 -14.6759 -14.6759 -0.3713 -0.3713 -0.3417 -0.3417 -0.2550 -0.2550 -0.2491 -0.2491 -0.0872 -0.0872 -0.0421 -0.0421 0.0747 0.0747 0.1120 0.1120 0.1248 0.1248 0.1899 0.1899 0.2102 0.2102 0.2245 0.2245 0.4304 0.4304 0.7172 0.7172 0.9582 0.9582 1.0146 1.0146 1.2685 1.2685 1.3187 1.3187 k = 0.1324 0.1532 0.7004 ( 27776 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4906 -50.4906 -50.4895 -50.4895 -46.0856 -46.0856 -46.0837 -46.0837 -45.9964 -45.9964 -45.9955 -45.9955 -30.2649 -30.2649 -30.2645 -30.2645 -16.8021 -16.8021 -16.8002 -16.8002 -14.7765 -14.7765 -14.7757 -14.7757 -14.6815 -14.6815 -14.6763 -14.6763 -0.3673 -0.3673 -0.3417 -0.3417 -0.2541 -0.2541 -0.2489 -0.2489 -0.0917 -0.0917 -0.0533 -0.0533 0.0744 0.0744 0.1076 0.1076 0.1269 0.1269 0.1849 0.1849 0.2096 0.2096 0.2229 0.2229 0.4531 0.4531 0.7141 0.7141 0.9480 0.9480 1.0068 1.0068 1.2812 1.2812 1.3439 1.3439 k = 0.1135 0.1313 0.7004 ( 27765 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4906 -50.4906 -50.4895 -50.4895 -46.0855 -46.0855 -46.0838 -46.0838 -45.9964 -45.9964 -45.9955 -45.9955 -30.2649 -30.2649 -30.2645 -30.2645 -16.8020 -16.8020 -16.8003 -16.8003 -14.7764 -14.7764 -14.7758 -14.7758 -14.6811 -14.6811 -14.6767 -14.6767 -0.3636 -0.3636 -0.3418 -0.3418 -0.2532 -0.2532 -0.2486 -0.2486 -0.0959 -0.0959 -0.0638 -0.0638 0.0744 0.0744 0.1030 0.1030 0.1297 0.1297 0.1799 0.1799 0.2094 0.2094 0.2214 0.2214 0.4768 0.4768 0.7086 0.7086 0.9397 0.9397 0.9975 0.9975 1.2973 1.2973 1.3685 1.3685 k = 0.0946 0.1094 0.7004 ( 27775 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0854 -46.0854 -46.0839 -46.0839 -45.9964 -45.9964 -45.9955 -45.9955 -30.2649 -30.2649 -30.2645 -30.2645 -16.8019 -16.8019 -16.8005 -16.8005 -14.7764 -14.7764 -14.7758 -14.7758 -14.6807 -14.6807 -14.6770 -14.6770 -0.3602 -0.3602 -0.3422 -0.3422 -0.2524 -0.2524 -0.2485 -0.2485 -0.0995 -0.0995 -0.0733 -0.0733 0.0747 0.0747 0.0986 0.0986 0.1329 0.1329 0.1749 0.1749 0.2095 0.2095 0.2199 0.2199 0.5013 0.5013 0.7005 0.7005 0.9338 0.9338 0.9874 0.9874 1.3162 1.3162 1.3916 1.3916 k = 0.0757 0.0875 0.7004 ( 27771 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0853 -46.0853 -46.0840 -46.0840 -45.9964 -45.9964 -45.9955 -45.9955 -30.2648 -30.2648 -30.2646 -30.2646 -16.8017 -16.8017 -16.8006 -16.8006 -14.7763 -14.7763 -14.7759 -14.7759 -14.6804 -14.6804 -14.6774 -14.6774 -0.3571 -0.3571 -0.3428 -0.3428 -0.2517 -0.2517 -0.2485 -0.2485 -0.1023 -0.1023 -0.0817 -0.0817 0.0754 0.0754 0.0945 0.0945 0.1363 0.1363 0.1699 0.1699 0.2099 0.2099 0.2185 0.2185 0.5260 0.5260 0.6895 0.6895 0.9305 0.9305 0.9770 0.9770 1.3369 1.3369 1.4119 1.4119 k = 0.0568 0.0656 0.7004 ( 27779 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0852 -46.0852 -46.0841 -46.0841 -45.9964 -45.9964 -45.9955 -45.9955 -30.2648 -30.2648 -30.2646 -30.2646 -16.8016 -16.8016 -16.8007 -16.8007 -14.7763 -14.7763 -14.7760 -14.7760 -14.6800 -14.6800 -14.6778 -14.6778 -0.3543 -0.3543 -0.3437 -0.3437 -0.2510 -0.2510 -0.2485 -0.2485 -0.1041 -0.1041 -0.0888 -0.0888 0.0765 0.0765 0.0908 0.0908 0.1398 0.1398 0.1652 0.1652 0.2105 0.2105 0.2171 0.2171 0.5505 0.5505 0.6757 0.6757 0.9298 0.9298 0.9669 0.9669 1.3587 1.3587 1.4274 1.4274 k = 0.0378 0.0438 0.7004 ( 27780 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0852 -46.0852 -46.0841 -46.0841 -45.9964 -45.9964 -45.9955 -45.9955 -30.2648 -30.2648 -30.2646 -30.2646 -16.8014 -16.8014 -16.8009 -16.8009 -14.7762 -14.7762 -14.7760 -14.7760 -14.6796 -14.6796 -14.6781 -14.6781 -0.3518 -0.3518 -0.3447 -0.3447 -0.2504 -0.2504 -0.2486 -0.2486 -0.1048 -0.1048 -0.0947 -0.0947 0.0779 0.0779 0.0875 0.0875 0.1436 0.1436 0.1605 0.1605 0.2113 0.2113 0.2157 0.2157 0.5747 0.5747 0.6593 0.6593 0.9316 0.9316 0.9574 0.9574 1.3806 1.3806 1.4348 1.4348 k = 0.0189 0.0219 0.7004 ( 27796 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8013 -16.8013 -16.8010 -16.8010 -14.7762 -14.7762 -14.7761 -14.7761 -14.6792 -14.6792 -14.6785 -14.6785 -0.3497 -0.3497 -0.3461 -0.3461 -0.2499 -0.2499 -0.2489 -0.2489 -0.1043 -0.1043 -0.0993 -0.0993 0.0797 0.0797 0.0845 0.0845 0.1476 0.1476 0.1560 0.1560 0.2122 0.2122 0.2145 0.2145 0.5979 0.5979 0.6406 0.6406 0.9356 0.9356 0.9488 0.9488 1.4013 1.4013 1.4316 1.4316 k = 0.0000 0.0000 0.7004 ( 27800 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7761 -14.7761 -14.7761 -14.7761 -14.6789 -14.6789 -14.6789 -14.6789 -0.3481 -0.3481 -0.3474 -0.3474 -0.2497 -0.2497 -0.2490 -0.2490 -0.1025 -0.1025 -0.1024 -0.1024 0.0815 0.0815 0.0822 0.0822 0.1514 0.1514 0.1521 0.1521 0.2130 0.2130 0.2137 0.2137 0.6200 0.6200 0.6201 0.6201 0.9414 0.9414 0.9414 0.9414 1.4193 1.4193 1.4193 1.4193 k = 0.0000 0.0000 0.7004 ( 27800 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7761 -14.7761 -14.7761 -14.7761 -14.6789 -14.6789 -14.6789 -14.6789 -0.3481 -0.3481 -0.3474 -0.3474 -0.2497 -0.2497 -0.2490 -0.2490 -0.1025 -0.1025 -0.1024 -0.1024 0.0815 0.0815 0.0822 0.0822 0.1514 0.1514 0.1521 0.1521 0.2130 0.2130 0.2137 0.2137 0.6200 0.6200 0.6201 0.6201 0.9414 0.9414 0.9414 0.9414 1.4193 1.4193 1.4193 1.4193 k = 0.0217-0.0188 0.7004 ( 27808 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7761 -14.7761 -14.7761 -14.7761 -14.6789 -14.6789 -14.6789 -14.6789 -0.3481 -0.3481 -0.3474 -0.3474 -0.2502 -0.2502 -0.2486 -0.2486 -0.1028 -0.1028 -0.1008 -0.1008 0.0816 0.0816 0.0823 0.0823 0.1511 0.1511 0.1525 0.1525 0.2130 0.2130 0.2137 0.2137 0.6196 0.6196 0.6205 0.6205 0.9416 0.9416 0.9419 0.9419 1.4178 1.4178 1.4187 1.4187 k = 0.0435-0.0376 0.7004 ( 27798 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7761 -14.7761 -14.7761 -14.7761 -14.6789 -14.6789 -14.6789 -14.6789 -0.3482 -0.3482 -0.3474 -0.3474 -0.2509 -0.2509 -0.2481 -0.2481 -0.1019 -0.1019 -0.0981 -0.0981 0.0817 0.0817 0.0824 0.0824 0.1507 0.1507 0.1532 0.1532 0.2132 0.2132 0.2139 0.2139 0.6193 0.6193 0.6210 0.6210 0.9424 0.9424 0.9430 0.9430 1.4143 1.4143 1.4160 1.4160 k = 0.0652-0.0564 0.7004 ( 27816 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7761 -14.7761 -14.7761 -14.7761 -14.6789 -14.6789 -14.6789 -14.6789 -0.3483 -0.3483 -0.3474 -0.3474 -0.2518 -0.2518 -0.2477 -0.2477 -0.0998 -0.0998 -0.0942 -0.0942 0.0818 0.0818 0.0825 0.0825 0.1504 0.1504 0.1540 0.1540 0.2135 0.2135 0.2142 0.2142 0.6189 0.6189 0.6214 0.6214 0.9439 0.9439 0.9448 0.9448 1.4084 1.4084 1.4111 1.4111 k = 0.0870-0.0752 0.7004 ( 27796 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6789 -14.6789 -0.3483 -0.3483 -0.3474 -0.3474 -0.2525 -0.2525 -0.2474 -0.2474 -0.0965 -0.0965 -0.0892 -0.0892 0.0821 0.0821 0.0828 0.0828 0.1501 0.1501 0.1550 0.1550 0.2140 0.2140 0.2147 0.2147 0.6185 0.6185 0.6218 0.6218 0.9461 0.9461 0.9472 0.9472 1.4000 1.4000 1.4038 1.4038 k = 0.1087-0.0940 0.7004 ( 27782 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3484 -0.3484 -0.3475 -0.3475 -0.2533 -0.2533 -0.2472 -0.2472 -0.0921 -0.0921 -0.0833 -0.0833 0.0824 0.0824 0.0831 0.0831 0.1501 0.1501 0.1561 0.1561 0.2145 0.2145 0.2152 0.2152 0.6178 0.6178 0.6219 0.6219 0.9489 0.9489 0.9503 0.9503 1.3890 1.3890 1.3938 1.3938 k = 0.1304-0.1128 0.7004 ( 27786 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3485 -0.3485 -0.3475 -0.3475 -0.2539 -0.2539 -0.2472 -0.2472 -0.0866 -0.0866 -0.0765 -0.0765 0.0828 0.0828 0.0835 0.0835 0.1501 0.1501 0.1573 0.1573 0.2152 0.2152 0.2159 0.2159 0.6168 0.6168 0.6217 0.6217 0.9525 0.9525 0.9541 0.9541 1.3752 1.3752 1.3814 1.3814 k = 0.1522-0.1316 0.7004 ( 27794 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3486 -0.3486 -0.3475 -0.3475 -0.2545 -0.2545 -0.2473 -0.2473 -0.0801 -0.0801 -0.0689 -0.0689 0.0833 0.0833 0.0839 0.0839 0.1502 0.1502 0.1586 0.1586 0.2160 0.2160 0.2167 0.2167 0.6153 0.6153 0.6210 0.6210 0.9567 0.9567 0.9586 0.9586 1.3592 1.3592 1.3669 1.3669 k = 0.1739-0.1504 0.7004 ( 27824 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3487 -0.3487 -0.3475 -0.3475 -0.2549 -0.2549 -0.2474 -0.2474 -0.0728 -0.0728 -0.0607 -0.0607 0.0838 0.0838 0.0844 0.0844 0.1504 0.1504 0.1600 0.1600 0.2170 0.2170 0.2177 0.2177 0.6132 0.6132 0.6196 0.6196 0.9616 0.9616 0.9638 0.9638 1.3416 1.3416 1.3508 1.3508 k = 0.1957-0.1692 0.7004 ( 27822 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3487 -0.3487 -0.3475 -0.3475 -0.2553 -0.2553 -0.2476 -0.2476 -0.0648 -0.0648 -0.0519 -0.0519 0.0843 0.0843 0.0850 0.0850 0.1508 0.1508 0.1615 0.1615 0.2181 0.2181 0.2188 0.2188 0.6102 0.6102 0.6173 0.6173 0.9672 0.9672 0.9696 0.9696 1.3233 1.3233 1.3340 1.3340 k = 0.2174-0.1880 0.7004 ( 27790 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3487 -0.3487 -0.3475 -0.3475 -0.2555 -0.2555 -0.2479 -0.2479 -0.0562 -0.0562 -0.0427 -0.0427 0.0850 0.0850 0.0857 0.0857 0.1514 0.1514 0.1631 0.1631 0.2193 0.2193 0.2201 0.2201 0.6063 0.6063 0.6140 0.6140 0.9733 0.9733 0.9760 0.9760 1.3051 1.3051 1.3174 1.3174 k = 0.2391-0.2068 0.7004 ( 27806 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3487 -0.3487 -0.3475 -0.3475 -0.2556 -0.2556 -0.2481 -0.2481 -0.0471 -0.0471 -0.0334 -0.0334 0.0857 0.0857 0.0864 0.0864 0.1521 0.1521 0.1647 0.1647 0.2207 0.2207 0.2216 0.2216 0.6013 0.6013 0.6096 0.6096 0.9800 0.9800 0.9830 0.9830 1.2878 1.2878 1.3015 1.3015 k = 0.2609-0.2256 0.7004 ( 27808 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3486 -0.3486 -0.3475 -0.3475 -0.2556 -0.2556 -0.2484 -0.2484 -0.0379 -0.0379 -0.0239 -0.0239 0.0864 0.0864 0.0873 0.0873 0.1531 0.1531 0.1663 0.1663 0.2222 0.2222 0.2232 0.2232 0.5953 0.5953 0.6038 0.6038 0.9872 0.9872 0.9906 0.9906 1.2720 1.2720 1.2869 1.2869 k = 0.2826-0.2444 0.7004 ( 27778 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3485 -0.3485 -0.3474 -0.3474 -0.2555 -0.2555 -0.2487 -0.2487 -0.0285 -0.0285 -0.0146 -0.0146 0.0872 0.0872 0.0884 0.0884 0.1542 0.1542 0.1680 0.1680 0.2238 0.2238 0.2252 0.2252 0.5881 0.5881 0.5969 0.5969 0.9947 0.9947 0.9985 0.9985 1.2579 1.2579 1.2740 1.2740 k = 0.3043-0.2632 0.7004 ( 27772 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3484 -0.3484 -0.3473 -0.3473 -0.2553 -0.2553 -0.2490 -0.2490 -0.0192 -0.0192 -0.0056 -0.0056 0.0880 0.0880 0.0895 0.0895 0.1556 0.1556 0.1696 0.1696 0.2256 0.2256 0.2273 0.2273 0.5799 0.5799 0.5888 0.5888 1.0025 1.0025 1.0067 1.0067 1.2458 1.2458 1.2629 1.2629 k = 0.3261-0.2820 0.7004 ( 27780 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3483 -0.3483 -0.3473 -0.3473 -0.2551 -0.2551 -0.2493 -0.2493 -0.0102 -0.0102 0.0028 0.0028 0.0888 0.0888 0.0907 0.0907 0.1573 0.1573 0.1711 0.1711 0.2276 0.2276 0.2296 0.2296 0.5710 0.5710 0.5797 0.5797 1.0103 1.0103 1.0150 1.0150 1.2357 1.2357 1.2535 1.2535 k = 0.3478-0.3008 0.7004 ( 27772 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3482 -0.3482 -0.3472 -0.3472 -0.2548 -0.2548 -0.2496 -0.2496 -0.0017 -0.0017 0.0104 0.0104 0.0898 0.0898 0.0920 0.0920 0.1592 0.1592 0.1726 0.1726 0.2298 0.2298 0.2321 0.2321 0.5615 0.5615 0.5700 0.5700 1.0182 1.0182 1.0232 1.0232 1.2275 1.2275 1.2456 1.2456 k = 0.3696-0.3196 0.7004 ( 27780 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3481 -0.3481 -0.3471 -0.3471 -0.2545 -0.2545 -0.2499 -0.2499 0.0062 0.0062 0.0170 0.0170 0.0907 0.0907 0.0932 0.0932 0.1613 0.1613 0.1738 0.1738 0.2321 0.2321 0.2347 0.2347 0.5520 0.5520 0.5599 0.5599 1.0259 1.0259 1.0311 1.0311 1.2211 1.2211 1.2389 1.2389 k = 0.3913-0.3384 0.7004 ( 27768 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3479 -0.3479 -0.3470 -0.3470 -0.2541 -0.2541 -0.2502 -0.2502 0.0132 0.0132 0.0226 0.0226 0.0918 0.0918 0.0943 0.0943 0.1636 0.1636 0.1748 0.1748 0.2345 0.2345 0.2372 0.2372 0.5427 0.5427 0.5499 0.5499 1.0332 1.0332 1.0384 1.0384 1.2162 1.2162 1.2331 1.2331 k = 0.4130-0.3572 0.7004 ( 27750 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3478 -0.3478 -0.3469 -0.3469 -0.2537 -0.2537 -0.2505 -0.2505 0.0193 0.0193 0.0270 0.0270 0.0928 0.0928 0.0953 0.0953 0.1661 0.1661 0.1755 0.1755 0.2370 0.2370 0.2397 0.2397 0.5344 0.5344 0.5405 0.5405 1.0399 1.0399 1.0449 1.0449 1.2128 1.2128 1.2279 1.2279 k = 0.4348-0.3760 0.7004 ( 27766 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7761 -14.7761 -14.6789 -14.6789 -14.6788 -14.6788 -0.3477 -0.3477 -0.3469 -0.3469 -0.2533 -0.2533 -0.2509 -0.2509 0.0243 0.0243 0.0302 0.0302 0.0938 0.0938 0.0960 0.0960 0.1684 0.1684 0.1758 0.1758 0.2393 0.2393 0.2417 0.2417 0.5274 0.5274 0.5323 0.5323 1.0458 1.0458 1.0501 1.0501 1.2107 1.2107 1.2231 1.2231 k = 0.4565-0.3947 0.7004 ( 27758 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7762 -14.7762 -14.6789 -14.6789 -14.6788 -14.6788 -0.3476 -0.3476 -0.3469 -0.3469 -0.2529 -0.2529 -0.2512 -0.2512 0.0282 0.0282 0.0322 0.0322 0.0948 0.0948 0.0964 0.0964 0.1706 0.1706 0.1757 0.1757 0.2414 0.2414 0.2432 0.2432 0.5223 0.5223 0.5257 0.5257 1.0506 1.0506 1.0538 1.0538 1.2100 1.2100 1.2188 1.2188 k = 0.4783-0.4135 0.7004 ( 27776 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7762 -14.7762 -14.6789 -14.6789 -14.6788 -14.6788 -0.3476 -0.3476 -0.3469 -0.3469 -0.2526 -0.2526 -0.2515 -0.2515 0.0309 0.0309 0.0329 0.0329 0.0955 0.0955 0.0965 0.0965 0.1725 0.1725 0.1751 0.1751 0.2429 0.2429 0.2440 0.2440 0.5194 0.5194 0.5211 0.5211 1.0540 1.0540 1.0557 1.0557 1.2105 1.2105 1.2151 1.2151 k = 0.5000-0.4323 0.7004 ( 27782 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7762 -14.7762 -14.6788 -14.6788 -14.6788 -14.6788 -0.3476 -0.3476 -0.3469 -0.3469 -0.2524 -0.2524 -0.2517 -0.2517 0.0323 0.0323 0.0327 0.0327 0.0959 0.0959 0.0965 0.0965 0.1737 0.1737 0.1743 0.1743 0.2436 0.2436 0.2442 0.2442 0.5189 0.5189 0.5191 0.5191 1.0558 1.0558 1.0558 1.0558 1.2123 1.2123 1.2123 1.2123 k = 0.5000-0.4323 0.7004 ( 27782 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8012 -16.8012 -14.7762 -14.7762 -14.7762 -14.7762 -14.6788 -14.6788 -14.6788 -14.6788 -0.3476 -0.3476 -0.3469 -0.3469 -0.2524 -0.2524 -0.2517 -0.2517 0.0323 0.0323 0.0327 0.0327 0.0959 0.0959 0.0965 0.0965 0.1737 0.1737 0.1743 0.1743 0.2436 0.2436 0.2442 0.2442 0.5189 0.5189 0.5191 0.5191 1.0558 1.0558 1.0558 1.0558 1.2123 1.2123 1.2123 1.2123 k = 0.4833-0.4516 0.7004 ( 27782 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8013 -16.8013 -16.8010 -16.8010 -14.7762 -14.7762 -14.7761 -14.7761 -14.6792 -14.6792 -14.6785 -14.6785 -0.3489 -0.3489 -0.3458 -0.3458 -0.2527 -0.2527 -0.2514 -0.2514 0.0240 0.0240 0.0395 0.0395 0.0947 0.0947 0.0982 0.0982 0.1706 0.1706 0.1774 0.1774 0.2401 0.2401 0.2476 0.2476 0.4978 0.4978 0.5413 0.5413 1.0411 1.0411 1.0698 1.0698 1.2066 1.2066 1.2201 1.2201 k = 0.4667-0.4709 0.7004 ( 27778 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2648 -30.2648 -30.2646 -30.2646 -16.8014 -16.8014 -16.8009 -16.8009 -14.7763 -14.7763 -14.7760 -14.7760 -14.6795 -14.6795 -14.6782 -14.6782 -0.3507 -0.3507 -0.3447 -0.3447 -0.2533 -0.2533 -0.2509 -0.2509 0.0137 0.0137 0.0449 0.0449 0.0939 0.0939 0.1008 0.1008 0.1674 0.1674 0.1809 0.1809 0.2361 0.2361 0.2512 0.2512 0.4785 0.4785 0.5639 0.5639 1.0265 1.0265 1.0827 1.0827 1.2031 1.2031 1.2298 1.2298 k = 0.6595-0.2479 0.5151 ( 27787 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4909 -50.4909 -50.4892 -50.4892 -46.0868 -46.0868 -46.0825 -46.0825 -45.9964 -45.9964 -45.9954 -45.9954 -30.2653 -30.2653 -30.2641 -30.2641 -16.8036 -16.8036 -16.7986 -16.7986 -14.7770 -14.7770 -14.7747 -14.7747 -14.6857 -14.6857 -14.6724 -14.6724 -0.4271 -0.4271 -0.3520 -0.3520 -0.2685 -0.2685 -0.2565 -0.2565 -0.0779 -0.0779 0.0252 0.0252 0.0908 0.0908 0.1297 0.1297 0.1765 0.1765 0.2120 0.2120 0.2396 0.2396 0.2659 0.2659 0.3380 0.3380 0.7273 0.7273 0.9630 0.9630 1.0037 1.0037 1.1968 1.1968 1.3968 1.3968 k = 0.6551-0.2530 0.4874 ( 27775 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4910 -50.4910 -50.4891 -50.4891 -46.0873 -46.0873 -46.0820 -46.0820 -45.9965 -45.9965 -45.9954 -45.9954 -30.2654 -30.2654 -30.2640 -30.2640 -16.8042 -16.8042 -16.7980 -16.7980 -14.7772 -14.7772 -14.7743 -14.7743 -14.6873 -14.6873 -14.6710 -14.6710 -0.4584 -0.4584 -0.3600 -0.3600 -0.2765 -0.2765 -0.2619 -0.2619 -0.1129 -0.1129 0.0263 0.0263 0.0844 0.0844 0.1474 0.1474 0.1930 0.1930 0.2087 0.2087 0.2445 0.2445 0.2955 0.2955 0.3110 0.3110 0.7748 0.7748 0.9383 0.9383 0.9858 0.9858 1.2044 1.2044 1.3915 1.3915 k = 0.6507-0.2581 0.4598 ( 27790 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4912 -50.4912 -50.4890 -50.4890 -46.0878 -46.0878 -46.0815 -46.0815 -45.9965 -45.9965 -45.9953 -45.9953 -30.2655 -30.2655 -30.2639 -30.2639 -16.8047 -16.8047 -16.7975 -16.7975 -14.7773 -14.7773 -14.7739 -14.7739 -14.6888 -14.6888 -14.6697 -14.6697 -0.4928 -0.4928 -0.3695 -0.3695 -0.2885 -0.2885 -0.2688 -0.2688 -0.1437 -0.1437 0.0264 0.0264 0.0783 0.0783 0.1648 0.1648 0.1969 0.1969 0.2159 0.2159 0.2494 0.2494 0.2881 0.2881 0.3292 0.3292 0.8196 0.8196 0.8966 0.8966 0.9851 0.9851 1.2125 1.2125 1.3836 1.3836 k = 0.6463-0.2631 0.4322 ( 27803 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4913 -50.4913 -50.4888 -50.4888 -46.0882 -46.0882 -46.0811 -46.0811 -45.9966 -45.9966 -45.9953 -45.9953 -30.2656 -30.2656 -30.2638 -30.2638 -16.8053 -16.8053 -16.7969 -16.7969 -14.7774 -14.7774 -14.7734 -14.7734 -14.6904 -14.6904 -14.6684 -14.6684 -0.5293 -0.5293 -0.3801 -0.3801 -0.3062 -0.3062 -0.2764 -0.2764 -0.1682 -0.1682 0.0253 0.0253 0.0730 0.0730 0.1791 0.1791 0.1963 0.1963 0.2248 0.2248 0.2548 0.2548 0.2787 0.2787 0.3587 0.3587 0.8421 0.8421 0.8704 0.8704 0.9885 0.9885 1.2196 1.2196 1.3742 1.3742 k = 0.6419-0.2682 0.4046 ( 27814 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4914 -50.4914 -50.4887 -50.4887 -46.0886 -46.0886 -46.0807 -46.0807 -45.9966 -45.9966 -45.9953 -45.9953 -30.2658 -30.2658 -30.2636 -30.2636 -16.8058 -16.8058 -16.7963 -16.7963 -14.7775 -14.7775 -14.7729 -14.7729 -14.6920 -14.6920 -14.6671 -14.6671 -0.5669 -0.5669 -0.3920 -0.3920 -0.3299 -0.3299 -0.2839 -0.2839 -0.1857 -0.1857 0.0226 0.0226 0.0683 0.0683 0.1831 0.1831 0.2051 0.2051 0.2267 0.2267 0.2603 0.2603 0.2819 0.2819 0.3860 0.3860 0.8025 0.8025 0.9024 0.9024 0.9937 0.9937 1.2248 1.2248 1.3637 1.3637 k = 0.6376-0.2733 0.3769 ( 27814 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4915 -50.4915 -50.4886 -50.4886 -46.0890 -46.0890 -46.0802 -46.0802 -45.9966 -45.9966 -45.9952 -45.9952 -30.2659 -30.2659 -30.2635 -30.2635 -16.8063 -16.8063 -16.7958 -16.7958 -14.7776 -14.7776 -14.7724 -14.7724 -14.6935 -14.6935 -14.6659 -14.6659 -0.6048 -0.6048 -0.4059 -0.4059 -0.3567 -0.3567 -0.2915 -0.2915 -0.1976 -0.1976 0.0184 0.0184 0.0639 0.0639 0.1818 0.1818 0.2174 0.2174 0.2268 0.2268 0.2654 0.2654 0.2936 0.2936 0.4102 0.4102 0.7611 0.7611 0.9328 0.9328 0.9999 0.9999 1.2281 1.2281 1.3525 1.3525 k = 0.6332-0.2783 0.3493 ( 27816 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4917 -50.4917 -50.4884 -50.4884 -46.0894 -46.0894 -46.0798 -46.0798 -45.9967 -45.9967 -45.9952 -45.9952 -30.2660 -30.2660 -30.2634 -30.2634 -16.8067 -16.8067 -16.7953 -16.7953 -14.7777 -14.7777 -14.7718 -14.7718 -14.6949 -14.6949 -14.6648 -14.6648 -0.6422 -0.6422 -0.4240 -0.4240 -0.3820 -0.3820 -0.2989 -0.2989 -0.2058 -0.2058 0.0128 0.0128 0.0596 0.0596 0.1802 0.1802 0.2208 0.2208 0.2366 0.2366 0.2707 0.2707 0.3083 0.3083 0.4304 0.4304 0.7237 0.7237 0.9571 0.9571 1.0069 1.0069 1.2299 1.2299 1.3409 1.3409 k = 0.6288-0.2834 0.3217 ( 27810 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4918 -50.4918 -50.4883 -50.4883 -46.0898 -46.0898 -46.0795 -46.0795 -45.9967 -45.9967 -45.9951 -45.9951 -30.2661 -30.2661 -30.2633 -30.2633 -16.8072 -16.8072 -16.7948 -16.7948 -14.7777 -14.7777 -14.7713 -14.7713 -14.6964 -14.6964 -14.6637 -14.6637 -0.6786 -0.6786 -0.4482 -0.4482 -0.4015 -0.4015 -0.3063 -0.3063 -0.2117 -0.2117 0.0060 0.0060 0.0556 0.0556 0.1784 0.1784 0.2229 0.2229 0.2491 0.2491 0.2766 0.2766 0.3235 0.3235 0.4457 0.4457 0.6923 0.6923 0.9746 0.9746 1.0144 1.0144 1.2312 1.2312 1.3290 1.3290 k = 0.6244-0.2885 0.2941 ( 27832 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4919 -50.4919 -50.4882 -50.4882 -46.0902 -46.0902 -46.0791 -46.0791 -45.9967 -45.9967 -45.9951 -45.9951 -30.2662 -30.2662 -30.2632 -30.2632 -16.8076 -16.8076 -16.7944 -16.7944 -14.7778 -14.7778 -14.7708 -14.7708 -14.6977 -14.6977 -14.6627 -14.6627 -0.7135 -0.7135 -0.4768 -0.4768 -0.4158 -0.4158 -0.3134 -0.3134 -0.2162 -0.2162 -0.0016 -0.0016 0.0519 0.0519 0.1762 0.1762 0.2276 0.2276 0.2597 0.2597 0.2837 0.2837 0.3380 0.3380 0.4547 0.4547 0.6692 0.6692 0.9856 0.9856 1.0221 1.0221 1.2329 1.2329 1.3174 1.3174 k = 0.6200-0.2935 0.2664 ( 27832 PWs) bands (ev): -81.6259 -81.6259 -81.6247 -81.6247 -50.4920 -50.4920 -50.4881 -50.4881 -46.0905 -46.0905 -46.0788 -46.0788 -45.9968 -45.9968 -45.9951 -45.9951 -30.2663 -30.2663 -30.2631 -30.2631 -16.8079 -16.8079 -16.7939 -16.7939 -14.7778 -14.7778 -14.7702 -14.7702 -14.6990 -14.6990 -14.6618 -14.6618 -0.7464 -0.7464 -0.5064 -0.5064 -0.4273 -0.4273 -0.3203 -0.3203 -0.2197 -0.2197 -0.0096 -0.0096 0.0487 0.0487 0.1737 0.1737 0.2345 0.2345 0.2679 0.2679 0.2922 0.2922 0.3508 0.3508 0.4570 0.4570 0.6562 0.6562 0.9903 0.9903 1.0297 1.0297 1.2355 1.2355 1.3061 1.3061 k = 0.6157-0.2986 0.2388 ( 27835 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4921 -50.4921 -50.4880 -50.4880 -46.0908 -46.0908 -46.0785 -46.0785 -45.9968 -45.9968 -45.9950 -45.9950 -30.2664 -30.2664 -30.2631 -30.2631 -16.8083 -16.8083 -16.7936 -16.7936 -14.7778 -14.7778 -14.7697 -14.7697 -14.7003 -14.7003 -14.6609 -14.6609 -0.7772 -0.7772 -0.5351 -0.5351 -0.4372 -0.4372 -0.3269 -0.3269 -0.2226 -0.2226 -0.0177 -0.0177 0.0461 0.0461 0.1709 0.1709 0.2427 0.2427 0.2738 0.2738 0.3016 0.3016 0.3606 0.3606 0.4540 0.4540 0.6532 0.6532 0.9890 0.9890 1.0373 1.0373 1.2392 1.2392 1.2958 1.2958 k = 0.6113-0.3037 0.2112 ( 27837 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4922 -50.4922 -50.4879 -50.4879 -46.0911 -46.0911 -46.0782 -46.0782 -45.9968 -45.9968 -45.9950 -45.9950 -30.2664 -30.2664 -30.2630 -30.2630 -16.8086 -16.8086 -16.7932 -16.7932 -14.7778 -14.7778 -14.7692 -14.7692 -14.7014 -14.7014 -14.6601 -14.6601 -0.8055 -0.8055 -0.5621 -0.5621 -0.4459 -0.4459 -0.3331 -0.3331 -0.2251 -0.2251 -0.0255 -0.0255 0.0440 0.0440 0.1682 0.1682 0.2516 0.2516 0.2784 0.2784 0.3110 0.3110 0.3652 0.3652 0.4497 0.4497 0.6585 0.6585 0.9824 0.9824 1.0447 1.0447 1.2432 1.2432 1.2873 1.2873 k = 0.6069-0.3087 0.1836 ( 27835 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4923 -50.4923 -50.4878 -50.4878 -46.0914 -46.0914 -46.0779 -46.0779 -45.9969 -45.9969 -45.9950 -45.9950 -30.2665 -30.2665 -30.2629 -30.2629 -16.8089 -16.8089 -16.7929 -16.7929 -14.7778 -14.7778 -14.7688 -14.7688 -14.7025 -14.7025 -14.6594 -14.6594 -0.8311 -0.8311 -0.5869 -0.5869 -0.4537 -0.4537 -0.3388 -0.3388 -0.2272 -0.2272 -0.0330 -0.0330 0.0423 0.0423 0.1655 0.1655 0.2606 0.2606 0.2821 0.2821 0.3199 0.3199 0.3632 0.3632 0.4485 0.4485 0.6695 0.6695 0.9714 0.9714 1.0520 1.0520 1.2456 1.2456 1.2822 1.2822 k = 0.6025-0.3138 0.1559 ( 27820 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4923 -50.4923 -50.4878 -50.4878 -46.0916 -46.0916 -46.0777 -46.0777 -45.9969 -45.9969 -45.9950 -45.9950 -30.2666 -30.2666 -30.2629 -30.2629 -16.8091 -16.8091 -16.7926 -16.7926 -14.7778 -14.7778 -14.7683 -14.7683 -14.7034 -14.7034 -14.6588 -14.6588 -0.8538 -0.8538 -0.6091 -0.6091 -0.4604 -0.4604 -0.3439 -0.3439 -0.2290 -0.2290 -0.0397 -0.0397 0.0410 0.0410 0.1630 0.1630 0.2691 0.2691 0.2852 0.2852 0.3280 0.3280 0.3553 0.3553 0.4516 0.4516 0.6843 0.6843 0.9569 0.9569 1.0590 1.0590 1.2443 1.2443 1.2820 1.2820 k = 0.5981-0.3189 0.1283 ( 27838 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4924 -50.4924 -50.4877 -50.4877 -46.0918 -46.0918 -46.0775 -46.0775 -45.9969 -45.9969 -45.9949 -45.9949 -30.2666 -30.2666 -30.2628 -30.2628 -16.8094 -16.8094 -16.7923 -16.7923 -14.7778 -14.7778 -14.7679 -14.7679 -14.7043 -14.7043 -14.6583 -14.6583 -0.8736 -0.8736 -0.6285 -0.6285 -0.4663 -0.4663 -0.3484 -0.3484 -0.2305 -0.2305 -0.0457 -0.0457 0.0400 0.0400 0.1608 0.1608 0.2766 0.2766 0.2880 0.2880 0.3351 0.3351 0.3446 0.3446 0.4573 0.4573 0.7017 0.7017 0.9397 0.9397 1.0655 1.0655 1.2398 1.2398 1.2860 1.2860 k = 0.5937-0.3239 0.1007 ( 27851 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4877 -50.4877 -46.0919 -46.0919 -46.0774 -46.0774 -45.9969 -45.9969 -45.9949 -45.9949 -30.2667 -30.2667 -30.2628 -30.2628 -16.8096 -16.8096 -16.7921 -16.7921 -14.7778 -14.7778 -14.7676 -14.7676 -14.7050 -14.7050 -14.6578 -14.6578 -0.8903 -0.8903 -0.6449 -0.6449 -0.4713 -0.4713 -0.3523 -0.3523 -0.2318 -0.2318 -0.0508 -0.0508 0.0393 0.0393 0.1588 0.1588 0.2828 0.2828 0.2904 0.2904 0.3337 0.3337 0.3412 0.3412 0.4638 0.4638 0.7208 0.7208 0.9207 0.9207 1.0713 1.0713 1.2340 1.2340 1.2915 1.2915 k = 0.5894-0.3290 0.0731 ( 27865 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4876 -50.4876 -46.0921 -46.0921 -46.0772 -46.0772 -45.9969 -45.9969 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8097 -16.8097 -16.7919 -16.7919 -14.7778 -14.7778 -14.7673 -14.7673 -14.7056 -14.7056 -14.6574 -14.6574 -0.9039 -0.9039 -0.6583 -0.6583 -0.4753 -0.4753 -0.3555 -0.3555 -0.2328 -0.2328 -0.0550 -0.0550 0.0388 0.0388 0.1572 0.1572 0.2871 0.2871 0.2925 0.2925 0.3246 0.3246 0.3460 0.3460 0.4700 0.4700 0.7412 0.7412 0.9004 0.9004 1.0765 1.0765 1.2282 1.2282 1.2970 1.2970 k = 0.5850-0.3341 0.0454 ( 27874 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8098 -16.8098 -16.7918 -16.7918 -14.7778 -14.7778 -14.7671 -14.7671 -14.7061 -14.7061 -14.6571 -14.6571 -0.9142 -0.9142 -0.6686 -0.6686 -0.4783 -0.4783 -0.3579 -0.3579 -0.2335 -0.2335 -0.0582 -0.0582 0.0384 0.0384 0.1559 0.1559 0.2897 0.2897 0.2936 0.2936 0.3185 0.3185 0.3497 0.3497 0.4751 0.4751 0.7627 0.7627 0.8794 0.8794 1.0809 1.0809 1.2229 1.2229 1.3015 1.3015 k = 0.5806-0.3391 0.0178 ( 27886 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0922 -46.0922 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7778 -14.7778 -14.7669 -14.7669 -14.7064 -14.7064 -14.6570 -14.6570 -0.9213 -0.9213 -0.6756 -0.6756 -0.4804 -0.4804 -0.3596 -0.3596 -0.2340 -0.2340 -0.0604 -0.0604 0.0381 0.0381 0.1550 0.1550 0.2912 0.2912 0.2933 0.2933 0.3156 0.3156 0.3523 0.3523 0.4787 0.4787 0.7848 0.7848 0.8583 0.8583 1.0844 1.0844 1.2186 1.2186 1.3044 1.3044 k = 0.5762-0.3442-0.0098 ( 27876 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7778 -14.7778 -14.7668 -14.7668 -14.7065 -14.7065 -14.6569 -14.6569 -0.9250 -0.9250 -0.6794 -0.6794 -0.4815 -0.4815 -0.3605 -0.3605 -0.2343 -0.2343 -0.0616 -0.0616 0.0380 0.0380 0.1546 0.1546 0.2915 0.2915 0.2929 0.2929 0.3147 0.3147 0.3537 0.3537 0.4807 0.4807 0.8059 0.8059 0.8390 0.8390 1.0870 1.0870 1.2153 1.2153 1.3052 1.3052 k = 0.5718-0.3493-0.0374 ( 27873 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8099 -16.8099 -16.7916 -16.7916 -14.7778 -14.7778 -14.7668 -14.7668 -14.7066 -14.7066 -14.6568 -14.6568 -0.9255 -0.9255 -0.6800 -0.6800 -0.4816 -0.4816 -0.3606 -0.3606 -0.2343 -0.2343 -0.0617 -0.0617 0.0380 0.0380 0.1545 0.1545 0.2911 0.2911 0.2933 0.2933 0.3146 0.3146 0.3539 0.3539 0.4809 0.4809 0.8084 0.8084 0.8391 0.8391 1.0886 1.0886 1.2130 1.2130 1.3038 1.3038 k = 0.5675-0.3543-0.0651 ( 27861 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7778 -14.7778 -14.7669 -14.7669 -14.7064 -14.7064 -14.6569 -14.6569 -0.9226 -0.9226 -0.6773 -0.6773 -0.4808 -0.4808 -0.3599 -0.3599 -0.2341 -0.2341 -0.0608 -0.0608 0.0381 0.0381 0.1548 0.1548 0.2906 0.2906 0.2941 0.2941 0.3152 0.3152 0.3530 0.3530 0.4794 0.4794 0.7899 0.7899 0.8611 0.8611 1.0893 1.0893 1.2118 1.2118 1.3002 1.3002 k = 0.5631-0.3594-0.0927 ( 27872 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8098 -16.8098 -16.7918 -16.7918 -14.7778 -14.7778 -14.7670 -14.7670 -14.7061 -14.7061 -14.6571 -14.6571 -0.9164 -0.9164 -0.6713 -0.6713 -0.4790 -0.4790 -0.3585 -0.3585 -0.2337 -0.2337 -0.0588 -0.0588 0.0383 0.0383 0.1556 0.1556 0.2895 0.2895 0.2946 0.2946 0.3172 0.3172 0.3511 0.3511 0.4762 0.4762 0.7697 0.7697 0.8858 0.8858 1.0889 1.0889 1.2117 1.2117 1.2944 1.2944 k = 0.5631-0.3594-0.0927 ( 27872 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8098 -16.8098 -16.7918 -16.7918 -14.7778 -14.7778 -14.7670 -14.7670 -14.7061 -14.7061 -14.6571 -14.6571 -0.9164 -0.9164 -0.6713 -0.6713 -0.4790 -0.4790 -0.3585 -0.3585 -0.2337 -0.2337 -0.0588 -0.0588 0.0383 0.0383 0.1556 0.1556 0.2895 0.2895 0.2946 0.2946 0.3172 0.3172 0.3511 0.3511 0.4762 0.4762 0.7697 0.7697 0.8858 0.8858 1.0889 1.0889 1.2117 1.2117 1.2944 1.2944 k = 0.5505-0.3740-0.0741 ( 27876 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7778 -14.7778 -14.7669 -14.7669 -14.7063 -14.7063 -14.6570 -14.6570 -0.9194 -0.9194 -0.6711 -0.6711 -0.4800 -0.4800 -0.3592 -0.3592 -0.2330 -0.2330 -0.0587 -0.0587 0.0383 0.0383 0.1579 0.1579 0.2855 0.2855 0.2928 0.2928 0.3153 0.3153 0.3524 0.3524 0.4779 0.4779 0.7786 0.7786 0.8710 0.8710 1.0830 1.0830 1.2347 1.2347 1.2986 1.2986 k = 0.5378-0.3886-0.0556 ( 27876 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7778 -14.7778 -14.7669 -14.7669 -14.7064 -14.7064 -14.6569 -14.6569 -0.9217 -0.9217 -0.6709 -0.6709 -0.4807 -0.4807 -0.3599 -0.3599 -0.2324 -0.2324 -0.0584 -0.0584 0.0383 0.0383 0.1599 0.1599 0.2797 0.2797 0.2927 0.2927 0.3150 0.3150 0.3535 0.3535 0.4793 0.4793 0.7878 0.7878 0.8572 0.8572 1.0780 1.0780 1.2583 1.2583 1.3033 1.3033 k = 0.5252-0.4032-0.0371 ( 27891 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7778 -14.7778 -14.7669 -14.7669 -14.7065 -14.7065 -14.6569 -14.6569 -0.9234 -0.9234 -0.6708 -0.6708 -0.4813 -0.4813 -0.3603 -0.3603 -0.2320 -0.2320 -0.0580 -0.0580 0.0383 0.0383 0.1616 0.1616 0.2748 0.2748 0.2927 0.2927 0.3151 0.3151 0.3543 0.3543 0.4803 0.4803 0.7972 0.7972 0.8445 0.8445 1.0743 1.0743 1.2786 1.2786 1.3114 1.3114 k = 0.5126-0.4178-0.0185 ( 27893 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7778 -14.7778 -14.7668 -14.7668 -14.7065 -14.7065 -14.6569 -14.6569 -0.9245 -0.9245 -0.6708 -0.6708 -0.4816 -0.4816 -0.3606 -0.3606 -0.2318 -0.2318 -0.0577 -0.0577 0.0383 0.0383 0.1626 0.1626 0.2716 0.2716 0.2928 0.2928 0.3153 0.3153 0.3548 0.3548 0.4810 0.4810 0.8066 0.8066 0.8332 0.8332 1.0720 1.0720 1.2891 1.2891 1.3254 1.3254 k = 0.5000-0.4323 0.0000 ( 27892 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7778 -14.7778 -14.7668 -14.7668 -14.7066 -14.7066 -14.6568 -14.6568 -0.9248 -0.9248 -0.6707 -0.6707 -0.4817 -0.4817 -0.3607 -0.3607 -0.2317 -0.2317 -0.0576 -0.0576 0.0383 0.0383 0.1630 0.1630 0.2705 0.2705 0.2928 0.2928 0.3154 0.3154 0.3550 0.3550 0.4812 0.4812 0.8124 0.8124 0.8266 0.8266 1.0713 1.0713 1.2916 1.2916 1.3339 1.3339 k = 0.5000-0.4323 0.0000 ( 27892 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7778 -14.7778 -14.7668 -14.7668 -14.7066 -14.7066 -14.6568 -14.6568 -0.9248 -0.9248 -0.6707 -0.6707 -0.4817 -0.4817 -0.3607 -0.3607 -0.2317 -0.2317 -0.0576 -0.0576 0.0383 0.0383 0.1630 0.1630 0.2705 0.2705 0.2928 0.2928 0.3154 0.3154 0.3550 0.3550 0.4812 0.4812 0.8124 0.8124 0.8266 0.8266 1.0713 1.0713 1.2916 1.2916 1.3339 1.3339 k = 0.4783-0.4135 0.0000 ( 27890 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7778 -14.7778 -14.7668 -14.7668 -14.7066 -14.7066 -14.6568 -14.6568 -0.9250 -0.9250 -0.6716 -0.6716 -0.4818 -0.4818 -0.3607 -0.3607 -0.2324 -0.2324 -0.0601 -0.0601 0.0382 0.0382 0.1624 0.1624 0.2741 0.2741 0.2930 0.2930 0.3173 0.3173 0.3551 0.3551 0.4812 0.4812 0.8122 0.8122 0.8295 0.8295 1.0707 1.0707 1.2916 1.2916 1.3337 1.3337 k = 0.4565-0.3947 0.0000 ( 27876 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8099 -16.8099 -16.7916 -16.7916 -14.7778 -14.7778 -14.7668 -14.7668 -14.7066 -14.7066 -14.6568 -14.6568 -0.9253 -0.9253 -0.6742 -0.6742 -0.4820 -0.4820 -0.3608 -0.3608 -0.2346 -0.2346 -0.0665 -0.0665 0.0380 0.0380 0.1609 0.1609 0.2821 0.2821 0.2937 0.2937 0.3244 0.3244 0.3553 0.3553 0.4812 0.4812 0.8115 0.8115 0.8382 0.8382 1.0691 1.0691 1.2915 1.2915 1.3329 1.3329 k = 0.4348-0.3760 0.0000 ( 27874 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8099 -16.8099 -16.7916 -16.7916 -14.7778 -14.7778 -14.7668 -14.7668 -14.7066 -14.7066 -14.6568 -14.6568 -0.9260 -0.9260 -0.6785 -0.6785 -0.4823 -0.4823 -0.3610 -0.3610 -0.2382 -0.2382 -0.0750 -0.0750 0.0378 0.0378 0.1592 0.1592 0.2882 0.2882 0.2954 0.2954 0.3391 0.3391 0.3559 0.3559 0.4811 0.4811 0.8103 0.8103 0.8528 0.8528 1.0664 1.0664 1.2913 1.2913 1.3319 1.3319 k = 0.4130-0.3572 0.0000 ( 27854 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8099 -16.8099 -16.7916 -16.7916 -14.7778 -14.7778 -14.7668 -14.7668 -14.7066 -14.7066 -14.6568 -14.6568 -0.9272 -0.9272 -0.6845 -0.6845 -0.4827 -0.4827 -0.3612 -0.3612 -0.2428 -0.2428 -0.0831 -0.0831 0.0377 0.0377 0.1575 0.1575 0.2905 0.2905 0.2976 0.2976 0.3545 0.3545 0.3628 0.3628 0.4811 0.4811 0.8088 0.8088 0.8735 0.8735 1.0628 1.0628 1.2913 1.2913 1.3306 1.3306 k = 0.3913-0.3384 0.0000 ( 27856 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7778 -14.7778 -14.7668 -14.7668 -14.7066 -14.7066 -14.6568 -14.6568 -0.9291 -0.9291 -0.6922 -0.6922 -0.4831 -0.4831 -0.3614 -0.3614 -0.2480 -0.2480 -0.0893 -0.0893 0.0375 0.0375 0.1559 0.1559 0.2914 0.2914 0.2993 0.2993 0.3559 0.3559 0.3865 0.3865 0.4810 0.4810 0.8070 0.8070 0.9002 0.9002 1.0583 1.0583 1.2914 1.2914 1.3293 1.3293 k = 0.3696-0.3196 0.0000 ( 27856 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7779 -14.7779 -14.7668 -14.7668 -14.7066 -14.7066 -14.6568 -14.6568 -0.9319 -0.9319 -0.7014 -0.7014 -0.4835 -0.4835 -0.3617 -0.3617 -0.2532 -0.2532 -0.0925 -0.0925 0.0374 0.0374 0.1545 0.1545 0.2919 0.2919 0.3006 0.3006 0.3565 0.3565 0.4108 0.4108 0.4810 0.4810 0.8052 0.8052 0.9327 0.9327 1.0532 1.0532 1.2918 1.2918 1.3280 1.3280 k = 0.3478-0.3008 0.0000 ( 27848 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7779 -14.7779 -14.7667 -14.7667 -14.7066 -14.7066 -14.6568 -14.6568 -0.9358 -0.9358 -0.7117 -0.7117 -0.4838 -0.4838 -0.3619 -0.3619 -0.2579 -0.2579 -0.0924 -0.0924 0.0374 0.0374 0.1532 0.1532 0.2923 0.2923 0.3017 0.3017 0.3571 0.3571 0.4333 0.4333 0.4810 0.4810 0.8033 0.8033 0.9698 0.9698 1.0476 1.0476 1.2928 1.2928 1.3269 1.3269 k = 0.3261-0.2820 0.0000 ( 27840 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7779 -14.7779 -14.7667 -14.7667 -14.7066 -14.7066 -14.6568 -14.6568 -0.9412 -0.9412 -0.7225 -0.7225 -0.4839 -0.4839 -0.3620 -0.3620 -0.2614 -0.2614 -0.0889 -0.0889 0.0374 0.0374 0.1518 0.1518 0.2926 0.2926 0.3027 0.3027 0.3576 0.3576 0.4530 0.4530 0.4812 0.4812 0.8017 0.8017 1.0090 1.0090 1.0432 1.0432 1.2945 1.2945 1.3260 1.3260 k = 0.3043-0.2632 0.0000 ( 27826 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7779 -14.7779 -14.7667 -14.7667 -14.7066 -14.7066 -14.6568 -14.6568 -0.9482 -0.9482 -0.7333 -0.7333 -0.4840 -0.4840 -0.3620 -0.3620 -0.2638 -0.2638 -0.0822 -0.0822 0.0375 0.0375 0.1506 0.1506 0.2929 0.2929 0.3038 0.3038 0.3581 0.3581 0.4691 0.4691 0.4820 0.4820 0.8003 0.8003 1.0287 1.0287 1.0596 1.0596 1.2971 1.2971 1.3253 1.3253 k = 0.2826-0.2444 0.0000 ( 27824 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7667 -14.7667 -14.7066 -14.7066 -14.6568 -14.6568 -0.9569 -0.9569 -0.7434 -0.7434 -0.4840 -0.4840 -0.3619 -0.3619 -0.2651 -0.2651 -0.0723 -0.0723 0.0376 0.0376 0.1493 0.1493 0.2931 0.2931 0.3050 0.3050 0.3584 0.3584 0.4777 0.4777 0.4875 0.4875 0.7993 0.7993 1.0242 1.0242 1.0997 1.0997 1.3008 1.3008 1.3247 1.3247 k = 0.2609-0.2256 0.0000 ( 27840 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -0.9673 -0.9673 -0.7525 -0.7525 -0.4839 -0.4839 -0.3618 -0.3618 -0.2655 -0.2655 -0.0593 -0.0593 0.0378 0.0378 0.1481 0.1481 0.2933 0.2933 0.3065 0.3065 0.3587 0.3587 0.4791 0.4791 0.4977 0.4977 0.7987 0.7987 1.0177 1.0177 1.1387 1.1387 1.3058 1.3058 1.3244 1.3244 k = 0.2391-0.2068 0.0000 ( 27836 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -0.9791 -0.9791 -0.7602 -0.7602 -0.4837 -0.4837 -0.3616 -0.3616 -0.2652 -0.2652 -0.0436 -0.0436 0.0381 0.0381 0.1470 0.1470 0.2934 0.2934 0.3082 0.3082 0.3588 0.3588 0.4793 0.4793 0.5067 0.5067 0.7986 0.7986 1.0109 1.0109 1.1722 1.1722 1.3111 1.3111 1.3254 1.3254 k = 0.2174-0.1880 0.0000 ( 27806 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -0.9920 -0.9920 -0.7665 -0.7665 -0.4834 -0.4834 -0.3614 -0.3614 -0.2645 -0.2645 -0.0256 -0.0256 0.0388 0.0388 0.1460 0.1460 0.2934 0.2934 0.3105 0.3105 0.3589 0.3589 0.4793 0.4793 0.5138 0.5138 0.7990 0.7990 1.0043 1.0043 1.1981 1.1981 1.3141 1.3141 1.3294 1.3294 k = 0.1957-0.1692 0.0000 ( 27800 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7781 -14.7781 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -1.0053 -1.0053 -0.7715 -0.7715 -0.4831 -0.4831 -0.3611 -0.3611 -0.2636 -0.2636 -0.0064 -0.0064 0.0402 0.0402 0.1452 0.1452 0.2934 0.2934 0.3132 0.3132 0.3588 0.3588 0.4792 0.4792 0.5193 0.5193 0.7999 0.7999 0.9980 0.9980 1.2163 1.2163 1.3140 1.3140 1.3358 1.3358 k = 0.1739-0.1504 0.0000 ( 27800 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7781 -14.7781 -14.7665 -14.7665 -14.7066 -14.7066 -14.6568 -14.6568 -1.0186 -1.0186 -0.7754 -0.7754 -0.4828 -0.4828 -0.3609 -0.3609 -0.2627 -0.2627 0.0122 0.0122 0.0436 0.0436 0.1445 0.1445 0.2933 0.2933 0.3167 0.3167 0.3586 0.3586 0.4791 0.4791 0.5233 0.5233 0.8012 0.8012 0.9921 0.9921 1.2284 1.2284 1.3125 1.3125 1.3419 1.3419 k = 0.1522-0.1316 0.0000 ( 27784 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7915 -16.7915 -14.7781 -14.7781 -14.7665 -14.7665 -14.7066 -14.7066 -14.6568 -14.6568 -1.0314 -1.0314 -0.7784 -0.7784 -0.4825 -0.4825 -0.3607 -0.3607 -0.2618 -0.2618 0.0251 0.0251 0.0530 0.0530 0.1443 0.1443 0.2931 0.2931 0.3211 0.3211 0.3584 0.3584 0.4791 0.4791 0.5260 0.5260 0.8027 0.8027 0.9868 0.9868 1.2362 1.2362 1.3103 1.3103 1.3467 1.3467 k = 0.1304-0.1128 0.0000 ( 27788 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7915 -16.7915 -14.7781 -14.7781 -14.7665 -14.7665 -14.7066 -14.7066 -14.6567 -14.6567 -1.0433 -1.0433 -0.7806 -0.7806 -0.4823 -0.4823 -0.3605 -0.3605 -0.2610 -0.2610 0.0303 0.0303 0.0694 0.0694 0.1445 0.1445 0.2929 0.2929 0.3264 0.3264 0.3581 0.3581 0.4790 0.4790 0.5275 0.5275 0.8045 0.8045 0.9820 0.9820 1.2412 1.2412 1.3080 1.3080 1.3504 1.3504 k = 0.1087-0.0940 0.0000 ( 27812 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7781 -14.7781 -14.7665 -14.7665 -14.7066 -14.7066 -14.6567 -14.6567 -1.0539 -1.0539 -0.7822 -0.7822 -0.4821 -0.4821 -0.3604 -0.3604 -0.2603 -0.2603 0.0322 0.0322 0.0869 0.0869 0.1456 0.1456 0.2927 0.2927 0.3327 0.3327 0.3578 0.3578 0.4789 0.4789 0.5279 0.5279 0.8062 0.8062 0.9779 0.9779 1.2445 1.2445 1.3055 1.3055 1.3533 1.3533 k = 0.0870-0.0752 0.0000 ( 27808 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7665 -14.7665 -14.7067 -14.7067 -14.6567 -14.6567 -1.0630 -1.0630 -0.7834 -0.7834 -0.4819 -0.4819 -0.3603 -0.3603 -0.2598 -0.2598 0.0330 0.0330 0.1018 0.1018 0.1480 0.1480 0.2925 0.2925 0.3398 0.3398 0.3576 0.3576 0.4788 0.4788 0.5276 0.5276 0.8079 0.8079 0.9744 0.9744 1.2467 1.2467 1.3029 1.3029 1.3556 1.3556 k = 0.0652-0.0564 0.0000 ( 27820 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7665 -14.7665 -14.7067 -14.7067 -14.6567 -14.6567 -1.0702 -1.0702 -0.7842 -0.7842 -0.4818 -0.4818 -0.3602 -0.3602 -0.2594 -0.2594 0.0335 0.0335 0.1123 0.1123 0.1519 0.1519 0.2923 0.2923 0.3469 0.3469 0.3575 0.3575 0.4787 0.4787 0.5267 0.5267 0.8093 0.8093 0.9718 0.9718 1.2483 1.2483 1.3001 1.3001 1.3573 1.3573 k = 0.0435-0.0376 0.0000 ( 27808 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7664 -14.7664 -14.7067 -14.7067 -14.6567 -14.6567 -1.0755 -1.0755 -0.7847 -0.7847 -0.4816 -0.4816 -0.3601 -0.3601 -0.2591 -0.2591 0.0337 0.0337 0.1184 0.1184 0.1565 0.1565 0.2921 0.2921 0.3528 0.3528 0.3582 0.3582 0.4787 0.4787 0.5255 0.5255 0.8105 0.8105 0.9698 0.9698 1.2496 1.2496 1.2972 1.2972 1.3586 1.3586 k = 0.0217-0.0188 0.0000 ( 27809 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7664 -14.7664 -14.7067 -14.7067 -14.6567 -14.6567 -1.0788 -1.0788 -0.7850 -0.7850 -0.4816 -0.4816 -0.3601 -0.3601 -0.2589 -0.2589 0.0338 0.0338 0.1213 0.1213 0.1601 0.1601 0.2920 0.2920 0.3552 0.3552 0.3604 0.3604 0.4787 0.4787 0.5245 0.5245 0.8112 0.8112 0.9686 0.9686 1.2505 1.2505 1.2946 1.2946 1.3594 1.3594 k = 0.0000 0.0000 0.0000 ( 27817 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7664 -14.7664 -14.7067 -14.7067 -14.6567 -14.6567 -1.0798 -1.0798 -0.7851 -0.7851 -0.4816 -0.4816 -0.3600 -0.3600 -0.2589 -0.2589 0.0339 0.0339 0.1221 0.1221 0.1614 0.1614 0.2920 0.2920 0.3555 0.3555 0.3617 0.3617 0.4787 0.4787 0.5242 0.5242 0.8114 0.8114 0.9682 0.9682 1.2509 1.2509 1.2936 1.2936 1.3597 1.3597 k = 0.0000 0.0000 0.0000 ( 27817 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7664 -14.7664 -14.7067 -14.7067 -14.6567 -14.6567 -1.0798 -1.0798 -0.7851 -0.7851 -0.4816 -0.4816 -0.3600 -0.3600 -0.2589 -0.2589 0.0339 0.0339 0.1221 0.1221 0.1614 0.1614 0.2920 0.2920 0.3555 0.3555 0.3617 0.3617 0.4787 0.4787 0.5242 0.5242 0.8114 0.8114 0.9682 0.9682 1.2509 1.2509 1.2936 1.2936 1.3597 1.3597 k = 0.0278 0.0041-0.0051 ( 27812 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7664 -14.7664 -14.7067 -14.7067 -14.6567 -14.6567 -1.0789 -1.0789 -0.7850 -0.7850 -0.4816 -0.4816 -0.3601 -0.3601 -0.2589 -0.2589 0.0338 0.0338 0.1217 0.1217 0.1602 0.1602 0.2920 0.2920 0.3552 0.3552 0.3608 0.3608 0.4787 0.4787 0.5242 0.5242 0.8113 0.8113 0.9686 0.9686 1.2505 1.2505 1.2931 1.2931 1.3478 1.3478 k = 0.0556 0.0081-0.0103 ( 27799 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7664 -14.7664 -14.7067 -14.7067 -14.6567 -14.6567 -1.0761 -1.0761 -0.7848 -0.7848 -0.4816 -0.4816 -0.3601 -0.3601 -0.2590 -0.2590 0.0338 0.0338 0.1204 0.1204 0.1566 0.1566 0.2921 0.2921 0.3539 0.3539 0.3587 0.3587 0.4786 0.4786 0.5241 0.5241 0.8110 0.8110 0.9698 0.9698 1.2491 1.2491 1.2916 1.2916 1.3312 1.3312 k = 0.0833 0.0122-0.0154 ( 27797 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7665 -14.7665 -14.7067 -14.7067 -14.6567 -14.6567 -1.0714 -1.0714 -0.7844 -0.7844 -0.4816 -0.4816 -0.3601 -0.3601 -0.2591 -0.2591 0.0337 0.0337 0.1174 0.1174 0.1513 0.1513 0.2922 0.2922 0.3501 0.3501 0.3572 0.3572 0.4785 0.4785 0.5240 0.5240 0.8104 0.8104 0.9716 0.9716 1.2451 1.2451 1.2887 1.2887 1.3197 1.3197 k = 0.1111 0.0162-0.0206 ( 27800 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7665 -14.7665 -14.7067 -14.7067 -14.6567 -14.6567 -1.0651 -1.0651 -0.7838 -0.7838 -0.4817 -0.4817 -0.3602 -0.3602 -0.2592 -0.2592 0.0334 0.0334 0.1117 0.1117 0.1452 0.1452 0.2923 0.2923 0.3442 0.3442 0.3566 0.3566 0.4783 0.4783 0.5238 0.5238 0.8097 0.8097 0.9741 0.9741 1.2368 1.2368 1.2858 1.2858 1.3149 1.3149 k = 0.1389 0.0203-0.0257 ( 27805 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7781 -14.7781 -14.7665 -14.7665 -14.7067 -14.7067 -14.6567 -14.6567 -1.0570 -1.0570 -0.7830 -0.7830 -0.4818 -0.4818 -0.3602 -0.3602 -0.2594 -0.2594 0.0330 0.0330 0.1015 0.1015 0.1401 0.1401 0.2924 0.2924 0.3376 0.3376 0.3562 0.3562 0.4781 0.4781 0.5235 0.5235 0.8088 0.8088 0.9771 0.9771 1.2246 1.2246 1.2850 1.2850 1.3146 1.3146 k = 0.1667 0.0243-0.0309 ( 27816 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7781 -14.7781 -14.7665 -14.7665 -14.7066 -14.7066 -14.6567 -14.6567 -1.0476 -1.0476 -0.7819 -0.7819 -0.4819 -0.4819 -0.3603 -0.3603 -0.2597 -0.2597 0.0322 0.0322 0.0864 0.0864 0.1368 0.1368 0.2926 0.2926 0.3311 0.3311 0.3559 0.3559 0.4779 0.4779 0.5229 0.5229 0.8077 0.8077 0.9806 0.9806 1.2105 1.2105 1.2859 1.2859 1.3170 1.3170 k = 0.1944 0.0284-0.0360 ( 27816 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7915 -16.7915 -14.7781 -14.7781 -14.7665 -14.7665 -14.7066 -14.7066 -14.6567 -14.6567 -1.0368 -1.0368 -0.7806 -0.7806 -0.4821 -0.4821 -0.3604 -0.3604 -0.2600 -0.2600 0.0304 0.0304 0.0680 0.0680 0.1347 0.1347 0.2927 0.2927 0.3250 0.3250 0.3556 0.3556 0.4776 0.4776 0.5222 0.5222 0.8065 0.8065 0.9846 0.9846 1.1960 1.1960 1.2877 1.2877 1.3213 1.3213 k = 0.2222 0.0324-0.0412 ( 27814 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7915 -16.7915 -14.7781 -14.7781 -14.7665 -14.7665 -14.7066 -14.7066 -14.6568 -14.6568 -1.0250 -1.0250 -0.7790 -0.7790 -0.4822 -0.4822 -0.3605 -0.3605 -0.2604 -0.2604 0.0245 0.0245 0.0504 0.0504 0.1333 0.1333 0.2929 0.2929 0.3196 0.3196 0.3553 0.3553 0.4773 0.4773 0.5214 0.5214 0.8053 0.8053 0.9889 0.9889 1.1820 1.1820 1.2897 1.2897 1.3271 1.3271 k = 0.2500 0.0365-0.0463 ( 27811 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7915 -16.7915 -14.7781 -14.7781 -14.7665 -14.7665 -14.7066 -14.7066 -14.6568 -14.6568 -1.0124 -1.0124 -0.7771 -0.7771 -0.4824 -0.4824 -0.3607 -0.3607 -0.2609 -0.2609 0.0078 0.0078 0.0413 0.0413 0.1324 0.1324 0.2931 0.2931 0.3150 0.3150 0.3550 0.3550 0.4770 0.4770 0.5204 0.5204 0.8040 0.8040 0.9937 0.9937 1.1686 1.1686 1.2916 1.2916 1.3339 1.3339 k = 0.2778 0.0405-0.0515 ( 27811 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7781 -14.7781 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -0.9995 -0.9995 -0.7748 -0.7748 -0.4826 -0.4826 -0.3609 -0.3609 -0.2616 -0.2616 -0.0163 -0.0163 0.0385 0.0385 0.1317 0.1317 0.2932 0.2932 0.3112 0.3112 0.3547 0.3547 0.4767 0.4767 0.5194 0.5194 0.8026 0.8026 0.9989 0.9989 1.1560 1.1560 1.2935 1.2935 1.3413 1.3413 k = 0.3056 0.0446-0.0566 ( 27804 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7781 -14.7781 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -0.9866 -0.9866 -0.7720 -0.7720 -0.4828 -0.4828 -0.3610 -0.3610 -0.2624 -0.2624 -0.0423 -0.0423 0.0375 0.0375 0.1312 0.1312 0.2934 0.2934 0.3082 0.3082 0.3544 0.3544 0.4764 0.4764 0.5184 0.5184 0.8014 0.8014 1.0045 1.0045 1.1443 1.1443 1.2954 1.2954 1.3488 1.3488 k = 0.3333 0.0486-0.0618 ( 27812 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -0.9742 -0.9742 -0.7690 -0.7690 -0.4831 -0.4831 -0.3613 -0.3613 -0.2634 -0.2634 -0.0679 -0.0679 0.0370 0.0370 0.1308 0.1308 0.2934 0.2934 0.3058 0.3058 0.3541 0.3541 0.4761 0.4761 0.5175 0.5175 0.8001 0.8001 1.0104 1.0104 1.1332 1.1332 1.2972 1.2972 1.3562 1.3562 k = 0.3611 0.0527-0.0669 ( 27801 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -0.9628 -0.9628 -0.7656 -0.7656 -0.4834 -0.4834 -0.3615 -0.3615 -0.2645 -0.2645 -0.0917 -0.0917 0.0367 0.0367 0.1304 0.1304 0.2935 0.2935 0.3039 0.3039 0.3539 0.3539 0.4758 0.4758 0.5166 0.5166 0.7990 0.7990 1.0165 1.0165 1.1229 1.1229 1.2989 1.2989 1.3631 1.3631 k = 0.3889 0.0567-0.0721 ( 27802 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -0.9527 -0.9527 -0.7621 -0.7621 -0.4836 -0.4836 -0.3617 -0.3617 -0.2659 -0.2659 -0.1126 -0.1126 0.0365 0.0365 0.1302 0.1302 0.2935 0.2935 0.3025 0.3025 0.3537 0.3537 0.4755 0.4755 0.5158 0.5158 0.7981 0.7981 1.0228 1.0228 1.1134 1.1134 1.3005 1.3005 1.3692 1.3692 k = 0.4167 0.0608-0.0772 ( 27803 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -0.9445 -0.9445 -0.7588 -0.7588 -0.4839 -0.4839 -0.3620 -0.3620 -0.2673 -0.2673 -0.1298 -0.1298 0.0364 0.0364 0.1299 0.1299 0.2935 0.2935 0.3015 0.3015 0.3536 0.3536 0.4753 0.4753 0.5152 0.5152 0.7973 0.7973 1.0288 1.0288 1.1049 1.1049 1.3019 1.3019 1.3742 1.3742 k = 0.4444 0.0648-0.0824 ( 27811 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -0.9384 -0.9384 -0.7560 -0.7560 -0.4841 -0.4841 -0.3622 -0.3622 -0.2686 -0.2686 -0.1425 -0.1425 0.0363 0.0363 0.1298 0.1298 0.2934 0.2934 0.3008 0.3008 0.3534 0.3534 0.4751 0.4751 0.5147 0.5147 0.7967 0.7967 1.0342 1.0342 1.0978 1.0978 1.3029 1.3029 1.3780 1.3780 k = 0.4722 0.0689-0.0875 ( 27808 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -0.9347 -0.9347 -0.7542 -0.7542 -0.4843 -0.4843 -0.3624 -0.3624 -0.2696 -0.2696 -0.1502 -0.1502 0.0363 0.0363 0.1297 0.1297 0.2934 0.2934 0.3005 0.3005 0.3534 0.3534 0.4750 0.4750 0.5144 0.5144 0.7963 0.7963 1.0381 1.0381 1.0929 1.0929 1.3036 1.3036 1.3803 1.3803 k = 0.5000 0.0729-0.0927 ( 27798 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7780 -14.7780 -14.7666 -14.7666 -14.7066 -14.7066 -14.6568 -14.6568 -0.9334 -0.9334 -0.7535 -0.7535 -0.4843 -0.4843 -0.3624 -0.3624 -0.2699 -0.2699 -0.1529 -0.1529 0.0363 0.0363 0.1297 0.1297 0.2934 0.2934 0.3003 0.3003 0.3534 0.3534 0.4750 0.4750 0.5143 0.5143 0.7962 0.7962 1.0396 1.0396 1.0910 1.0910 1.3038 1.3038 1.3811 1.3811 k = 0.5000 0.0729 0.6077 ( 27774 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0851 -46.0851 -46.0842 -46.0842 -45.9964 -45.9964 -45.9955 -45.9955 -30.2647 -30.2647 -30.2647 -30.2647 -16.8012 -16.8012 -16.8011 -16.8011 -14.7763 -14.7763 -14.7760 -14.7760 -14.6789 -14.6789 -14.6788 -14.6788 -0.3506 -0.3506 -0.3464 -0.3464 -0.2524 -0.2524 -0.2513 -0.2513 -0.1025 -0.1025 0.0386 0.0386 0.0847 0.0847 0.1007 0.1007 0.1561 0.1561 0.1757 0.1757 0.2160 0.2160 0.2524 0.2524 0.4648 0.4648 0.6545 0.6545 0.9799 0.9799 1.0657 1.0657 1.2163 1.2163 1.3394 1.3394 k = 0.4821 0.0703 0.5860 ( 27786 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4905 -50.4905 -50.4896 -50.4896 -46.0853 -46.0853 -46.0840 -46.0840 -45.9964 -45.9964 -45.9955 -45.9955 -30.2648 -30.2648 -30.2646 -30.2646 -16.8017 -16.8017 -16.8006 -16.8006 -14.7765 -14.7765 -14.7758 -14.7758 -14.6802 -14.6802 -14.6775 -14.6775 -0.3567 -0.3567 -0.3439 -0.3439 -0.2541 -0.2541 -0.2504 -0.2504 -0.1132 -0.1132 0.0423 0.0423 0.0816 0.0816 0.1049 0.1049 0.1544 0.1544 0.1794 0.1794 0.2166 0.2166 0.2542 0.2542 0.4661 0.4661 0.6602 0.6602 0.9803 0.9803 1.0666 1.0666 1.2166 1.2166 1.3269 1.3269 k = 0.4643 0.0677 0.5643 ( 27792 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4906 -50.4906 -50.4895 -50.4895 -46.0856 -46.0856 -46.0837 -46.0837 -45.9964 -45.9964 -45.9955 -45.9955 -30.2649 -30.2649 -30.2645 -30.2645 -16.8022 -16.8022 -16.8001 -16.8001 -14.7767 -14.7767 -14.7755 -14.7755 -14.6816 -14.6816 -14.6762 -14.6762 -0.3683 -0.3683 -0.3430 -0.3430 -0.2572 -0.2572 -0.2497 -0.2497 -0.1405 -0.1405 0.0483 0.0483 0.0796 0.0796 0.1112 0.1112 0.1529 0.1529 0.1869 0.1869 0.2186 0.2186 0.2589 0.2589 0.4702 0.4702 0.6767 0.6767 0.9813 0.9813 1.0694 1.0694 1.2172 1.2172 1.2991 1.2991 k = 0.4464 0.0651 0.5426 ( 27794 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4907 -50.4907 -50.4894 -50.4894 -46.0860 -46.0860 -46.0833 -46.0833 -45.9964 -45.9964 -45.9955 -45.9955 -30.2650 -30.2650 -30.2644 -30.2644 -16.8027 -16.8027 -16.7996 -16.7996 -14.7769 -14.7769 -14.7752 -14.7752 -14.6829 -14.6829 -14.6749 -14.6749 -0.3842 -0.3842 -0.3447 -0.3447 -0.2618 -0.2618 -0.2501 -0.2501 -0.1760 -0.1760 0.0495 0.0495 0.0830 0.0830 0.1168 0.1168 0.1542 0.1542 0.1947 0.1947 0.2227 0.2227 0.2653 0.2653 0.4773 0.4773 0.7028 0.7028 0.9829 0.9829 1.0739 1.0739 1.2177 1.2177 1.2663 1.2663 k = 0.4286 0.0625 0.5209 ( 27801 PWs) bands (ev): -81.6258 -81.6258 -81.6249 -81.6249 -50.4908 -50.4908 -50.4893 -50.4893 -46.0864 -46.0864 -46.0829 -46.0829 -45.9964 -45.9964 -45.9954 -45.9954 -30.2652 -30.2652 -30.2642 -30.2642 -16.8032 -16.8032 -16.7991 -16.7991 -14.7771 -14.7771 -14.7749 -14.7749 -14.6843 -14.6843 -14.6737 -14.6737 -0.4046 -0.4046 -0.3489 -0.3489 -0.2703 -0.2703 -0.2523 -0.2523 -0.2111 -0.2111 0.0480 0.0480 0.0861 0.0861 0.1244 0.1244 0.1576 0.1576 0.2019 0.2019 0.2287 0.2287 0.2721 0.2721 0.4874 0.4874 0.7364 0.7364 0.9849 0.9849 1.0799 1.0799 1.2146 1.2146 1.2371 1.2371 k = 0.4107 0.0599 0.4992 ( 27791 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4909 -50.4909 -50.4892 -50.4892 -46.0868 -46.0868 -46.0825 -46.0825 -45.9964 -45.9964 -45.9954 -45.9954 -30.2653 -30.2653 -30.2641 -30.2641 -16.8037 -16.8037 -16.7986 -16.7986 -14.7772 -14.7772 -14.7745 -14.7745 -14.6857 -14.6857 -14.6724 -14.6724 -0.4296 -0.4296 -0.3557 -0.3557 -0.2903 -0.2903 -0.2578 -0.2578 -0.2329 -0.2329 0.0466 0.0466 0.0856 0.0856 0.1348 0.1348 0.1618 0.1618 0.2090 0.2090 0.2362 0.2362 0.2784 0.2784 0.4999 0.4999 0.7747 0.7747 0.9870 0.9870 1.0853 1.0853 1.1944 1.1944 1.2296 1.2296 k = 0.3929 0.0573 0.4775 ( 27801 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4910 -50.4910 -50.4891 -50.4891 -46.0872 -46.0872 -46.0821 -46.0821 -45.9965 -45.9965 -45.9954 -45.9954 -30.2654 -30.2654 -30.2640 -30.2640 -16.8042 -16.8042 -16.7981 -16.7981 -14.7774 -14.7774 -14.7742 -14.7742 -14.6870 -14.6870 -14.6712 -14.6712 -0.4593 -0.4593 -0.3668 -0.3668 -0.3211 -0.3211 -0.2644 -0.2644 -0.2398 -0.2398 0.0463 0.0463 0.0831 0.0831 0.1451 0.1451 0.1671 0.1671 0.2162 0.2162 0.2445 0.2445 0.2842 0.2842 0.5141 0.5141 0.8145 0.8145 0.9888 0.9888 1.0835 1.0835 1.1779 1.1779 1.2323 1.2323 k = 0.3750 0.0547 0.4558 ( 27792 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4911 -50.4911 -50.4890 -50.4890 -46.0876 -46.0876 -46.0817 -46.0817 -45.9965 -45.9965 -45.9954 -45.9954 -30.2655 -30.2655 -30.2639 -30.2639 -16.8047 -16.8047 -16.7976 -16.7976 -14.7775 -14.7775 -14.7738 -14.7738 -14.6884 -14.6884 -14.6701 -14.6701 -0.4936 -0.4936 -0.3871 -0.3871 -0.3470 -0.3470 -0.2703 -0.2703 -0.2422 -0.2422 0.0468 0.0468 0.0802 0.0802 0.1521 0.1521 0.1756 0.1756 0.2237 0.2237 0.2528 0.2528 0.2899 0.2899 0.5295 0.5295 0.8525 0.8525 0.9892 0.9892 1.0670 1.0670 1.1833 1.1833 1.2379 1.2379 k = 0.3571 0.0521 0.4341 ( 27791 PWs) bands (ev): -81.6258 -81.6258 -81.6248 -81.6248 -50.4912 -50.4912 -50.4889 -50.4889 -46.0880 -46.0880 -46.0813 -46.0813 -45.9965 -45.9965 -45.9953 -45.9953 -30.2656 -30.2656 -30.2638 -30.2638 -16.8051 -16.8051 -16.7971 -16.7971 -14.7776 -14.7776 -14.7734 -14.7734 -14.6897 -14.6897 -14.6689 -14.6689 -0.5320 -0.5320 -0.4174 -0.4174 -0.3624 -0.3624 -0.2760 -0.2760 -0.2436 -0.2436 0.0477 0.0477 0.0781 0.0781 0.1553 0.1553 0.1871 0.1871 0.2313 0.2313 0.2606 0.2606 0.2964 0.2964 0.5453 0.5453 0.8852 0.8852 0.9859 0.9859 1.0432 1.0432 1.2053 1.2053 1.2482 1.2482 k = 0.3393 0.0495 0.4124 ( 27802 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4913 -50.4913 -50.4888 -50.4888 -46.0884 -46.0884 -46.0809 -46.0809 -45.9966 -45.9966 -45.9953 -45.9953 -30.2657 -30.2657 -30.2637 -30.2637 -16.8056 -16.8056 -16.7966 -16.7966 -14.7777 -14.7777 -14.7729 -14.7729 -14.6911 -14.6911 -14.6678 -14.6678 -0.5734 -0.5734 -0.4502 -0.4502 -0.3734 -0.3734 -0.2818 -0.2818 -0.2447 -0.2447 0.0482 0.0482 0.0775 0.0775 0.1565 0.1565 0.1997 0.1997 0.2389 0.2389 0.2674 0.2674 0.3044 0.3044 0.5611 0.5611 0.9088 0.9088 0.9753 0.9753 1.0257 1.0257 1.2271 1.2271 1.2724 1.2724 k = 0.3214 0.0469 0.3907 ( 27797 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4914 -50.4914 -50.4887 -50.4887 -46.0887 -46.0887 -46.0806 -46.0806 -45.9966 -45.9966 -45.9953 -45.9953 -30.2658 -30.2658 -30.2636 -30.2636 -16.8060 -16.8060 -16.7961 -16.7961 -14.7778 -14.7778 -14.7725 -14.7725 -14.6924 -14.6924 -14.6667 -14.6667 -0.6166 -0.6166 -0.4822 -0.4822 -0.3832 -0.3832 -0.2877 -0.2877 -0.2457 -0.2457 0.0481 0.0481 0.0786 0.0786 0.1567 0.1567 0.2123 0.2123 0.2465 0.2465 0.2732 0.2732 0.3141 0.3141 0.5766 0.5766 0.9126 0.9126 0.9669 0.9669 1.0194 1.0194 1.2388 1.2388 1.3152 1.3152 k = 0.3036 0.0443 0.3690 ( 27817 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4916 -50.4916 -50.4886 -50.4886 -46.0891 -46.0891 -46.0802 -46.0802 -45.9966 -45.9966 -45.9952 -45.9952 -30.2659 -30.2659 -30.2635 -30.2635 -16.8064 -16.8064 -16.7957 -16.7957 -14.7779 -14.7779 -14.7720 -14.7720 -14.6937 -14.6937 -14.6657 -14.6657 -0.6603 -0.6603 -0.5127 -0.5127 -0.3925 -0.3925 -0.2937 -0.2937 -0.2467 -0.2467 0.0471 0.0471 0.0814 0.0814 0.1564 0.1564 0.2245 0.2245 0.2540 0.2540 0.2782 0.2782 0.3252 0.3252 0.5916 0.5916 0.8907 0.8907 0.9738 0.9738 1.0193 1.0193 1.2462 1.2462 1.3662 1.3662 k = 0.2857 0.0417 0.3473 ( 27815 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4917 -50.4917 -50.4885 -50.4885 -46.0894 -46.0894 -46.0799 -46.0799 -45.9967 -45.9967 -45.9952 -45.9952 -30.2660 -30.2660 -30.2634 -30.2634 -16.8068 -16.8068 -16.7952 -16.7952 -14.7780 -14.7780 -14.7716 -14.7716 -14.6949 -14.6949 -14.6648 -14.6648 -0.7036 -0.7036 -0.5419 -0.5419 -0.4015 -0.4015 -0.2997 -0.2997 -0.2477 -0.2477 0.0456 0.0456 0.0854 0.0854 0.1558 0.1558 0.2359 0.2359 0.2615 0.2615 0.2830 0.2830 0.3373 0.3373 0.6060 0.6060 0.8597 0.8597 0.9834 0.9834 1.0235 1.0235 1.2519 1.2519 1.4175 1.4175 k = 0.2679 0.0391 0.3256 ( 27820 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4918 -50.4918 -50.4884 -50.4884 -46.0898 -46.0898 -46.0795 -46.0795 -45.9967 -45.9967 -45.9952 -45.9952 -30.2661 -30.2661 -30.2633 -30.2633 -16.8072 -16.8072 -16.7948 -16.7948 -14.7780 -14.7780 -14.7711 -14.7711 -14.6962 -14.6962 -14.6638 -14.6638 -0.7458 -0.7458 -0.5696 -0.5696 -0.4102 -0.4102 -0.3057 -0.3057 -0.2487 -0.2487 0.0440 0.0440 0.0900 0.0900 0.1550 0.1550 0.2463 0.2463 0.2692 0.2692 0.2881 0.2881 0.3500 0.3500 0.6197 0.6197 0.8273 0.8273 0.9894 0.9894 1.0320 1.0320 1.2565 1.2565 1.4555 1.4555 k = 0.2500 0.0365 0.3039 ( 27819 PWs) bands (ev): -81.6259 -81.6259 -81.6248 -81.6248 -50.4919 -50.4919 -50.4883 -50.4883 -46.0901 -46.0901 -46.0792 -46.0792 -45.9967 -45.9967 -45.9951 -45.9951 -30.2662 -30.2662 -30.2633 -30.2633 -16.8075 -16.8075 -16.7944 -16.7944 -14.7781 -14.7781 -14.7706 -14.7706 -14.6974 -14.6974 -14.6629 -14.6629 -0.7864 -0.7864 -0.5959 -0.5959 -0.4186 -0.4186 -0.3116 -0.3116 -0.2498 -0.2498 0.0423 0.0423 0.0949 0.0949 0.1542 0.1542 0.2551 0.2551 0.2772 0.2772 0.2935 0.2935 0.3629 0.3629 0.6322 0.6322 0.7961 0.7961 0.9916 0.9916 1.0442 1.0442 1.2601 1.2601 1.4647 1.4647 k = 0.2321 0.0339 0.2822 ( 27823 PWs) bands (ev): -81.6259 -81.6259 -81.6247 -81.6247 -50.4920 -50.4920 -50.4882 -50.4882 -46.0904 -46.0904 -46.0789 -46.0789 -45.9968 -45.9968 -45.9951 -45.9951 -30.2662 -30.2662 -30.2632 -30.2632 -16.8079 -16.8079 -16.7940 -16.7940 -14.7781 -14.7781 -14.7702 -14.7702 -14.6985 -14.6985 -14.6621 -14.6621 -0.8249 -0.8249 -0.6208 -0.6208 -0.4267 -0.4267 -0.3174 -0.3174 -0.2508 -0.2508 0.0408 0.0408 0.0999 0.0999 0.1533 0.1533 0.2624 0.2624 0.2856 0.2856 0.2995 0.2995 0.3758 0.3758 0.6431 0.6431 0.7674 0.7674 0.9915 0.9915 1.0585 1.0585 1.2628 1.2628 1.4709 1.4709 k = 0.2143 0.0313 0.2605 ( 27823 PWs) bands (ev): -81.6259 -81.6259 -81.6247 -81.6247 -50.4920 -50.4920 -50.4881 -50.4881 -46.0906 -46.0906 -46.0787 -46.0787 -45.9968 -45.9968 -45.9951 -45.9951 -30.2663 -30.2663 -30.2631 -30.2631 -16.8082 -16.8082 -16.7937 -16.7937 -14.7781 -14.7781 -14.7697 -14.7697 -14.6996 -14.6996 -14.6613 -14.6613 -0.8613 -0.8613 -0.6441 -0.6441 -0.4343 -0.4343 -0.3231 -0.3231 -0.2518 -0.2518 0.0395 0.0395 0.1046 0.1046 0.1526 0.1526 0.2682 0.2682 0.2942 0.2942 0.3059 0.3059 0.3886 0.3886 0.6507 0.6507 0.7435 0.7435 0.9902 0.9902 1.0741 1.0741 1.2647 1.2647 1.4768 1.4768 k = 0.1964 0.0287 0.2388 ( 27822 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4921 -50.4921 -50.4880 -50.4880 -46.0909 -46.0909 -46.0784 -46.0784 -45.9968 -45.9968 -45.9950 -45.9950 -30.2664 -30.2664 -30.2630 -30.2630 -16.8085 -16.8085 -16.7933 -16.7933 -14.7781 -14.7781 -14.7693 -14.7693 -14.7006 -14.7006 -14.6606 -14.6606 -0.8952 -0.8952 -0.6659 -0.6659 -0.4415 -0.4415 -0.3285 -0.3285 -0.2528 -0.2528 0.0383 0.0383 0.1089 0.1089 0.1521 0.1521 0.2728 0.2728 0.3029 0.3029 0.3126 0.3126 0.4011 0.4011 0.6513 0.6513 0.7283 0.7283 0.9882 0.9882 1.0906 1.0906 1.2658 1.2658 1.4819 1.4819 k = 0.1786 0.0261 0.2171 ( 27820 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4922 -50.4922 -50.4879 -50.4879 -46.0911 -46.0911 -46.0782 -46.0782 -45.9968 -45.9968 -45.9950 -45.9950 -30.2664 -30.2664 -30.2630 -30.2630 -16.8087 -16.8087 -16.7930 -16.7930 -14.7782 -14.7782 -14.7689 -14.7689 -14.7016 -14.7016 -14.6600 -14.6600 -0.9266 -0.9266 -0.6860 -0.6860 -0.4481 -0.4481 -0.3336 -0.3336 -0.2537 -0.2537 0.0373 0.0373 0.1127 0.1127 0.1520 0.1520 0.2767 0.2767 0.3112 0.3112 0.3195 0.3195 0.4130 0.4130 0.6421 0.6421 0.7250 0.7250 0.9858 0.9858 1.1078 1.1078 1.2662 1.2662 1.4849 1.4849 k = 0.1607 0.0234 0.1953 ( 27806 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4923 -50.4923 -50.4879 -50.4879 -46.0913 -46.0913 -46.0780 -46.0780 -45.9969 -45.9969 -45.9950 -45.9950 -30.2665 -30.2665 -30.2629 -30.2629 -16.8090 -16.8090 -16.7928 -16.7928 -14.7782 -14.7782 -14.7684 -14.7684 -14.7025 -14.7025 -14.6594 -14.6594 -0.9552 -0.9552 -0.7045 -0.7045 -0.4543 -0.4543 -0.3383 -0.3383 -0.2546 -0.2546 0.0365 0.0365 0.1158 0.1158 0.1522 0.1522 0.2799 0.2799 0.3191 0.3191 0.3262 0.3262 0.4243 0.4243 0.6259 0.6259 0.7307 0.7307 0.9833 0.9833 1.1258 1.1258 1.2661 1.2661 1.4839 1.4839 k = 0.1429 0.0208 0.1736 ( 27802 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4923 -50.4923 -50.4878 -50.4878 -46.0915 -46.0915 -46.0778 -46.0778 -45.9969 -45.9969 -45.9950 -45.9950 -30.2666 -30.2666 -30.2629 -30.2629 -16.8092 -16.8092 -16.7925 -16.7925 -14.7782 -14.7782 -14.7681 -14.7681 -14.7033 -14.7033 -14.6588 -14.6588 -0.9810 -0.9810 -0.7211 -0.7211 -0.4599 -0.4599 -0.3427 -0.3427 -0.2555 -0.2555 0.0359 0.0359 0.1182 0.1182 0.1529 0.1529 0.2826 0.2826 0.3264 0.3264 0.3327 0.3327 0.4349 0.4349 0.6076 0.6076 0.7407 0.7407 0.9806 0.9806 1.1443 1.1443 1.2657 1.2657 1.4777 1.4777 k = 0.1250 0.0182 0.1519 ( 27802 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4924 -50.4924 -50.4877 -50.4877 -46.0917 -46.0917 -46.0776 -46.0776 -45.9969 -45.9969 -45.9949 -45.9949 -30.2666 -30.2666 -30.2628 -30.2628 -16.8094 -16.8094 -16.7923 -16.7923 -14.7782 -14.7782 -14.7677 -14.7677 -14.7041 -14.7041 -14.6583 -14.6583 -1.0040 -1.0040 -0.7359 -0.7359 -0.4649 -0.4649 -0.3466 -0.3466 -0.2562 -0.2562 0.0353 0.0353 0.1199 0.1199 0.1540 0.1540 0.2849 0.2849 0.3330 0.3330 0.3388 0.3388 0.4446 0.4446 0.5897 0.5897 0.7525 0.7525 0.9781 0.9781 1.1634 1.1634 1.2652 1.2652 1.4667 1.4667 k = 0.1071 0.0156 0.1302 ( 27805 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4924 -50.4924 -50.4877 -50.4877 -46.0919 -46.0919 -46.0774 -46.0774 -45.9969 -45.9969 -45.9949 -45.9949 -30.2666 -30.2666 -30.2628 -30.2628 -16.8096 -16.8096 -16.7921 -16.7921 -14.7782 -14.7782 -14.7674 -14.7674 -14.7047 -14.7047 -14.6579 -14.6579 -1.0240 -1.0240 -0.7488 -0.7488 -0.4692 -0.4692 -0.3501 -0.3501 -0.2569 -0.2569 0.0349 0.0349 0.1210 0.1210 0.1554 0.1554 0.2868 0.2868 0.3388 0.3388 0.3444 0.3444 0.4532 0.4532 0.5733 0.5733 0.7648 0.7648 0.9757 0.9757 1.1827 1.1827 1.2646 1.2646 1.4523 1.4523 k = 0.0893 0.0130 0.1085 ( 27806 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4876 -50.4876 -46.0920 -46.0920 -46.0773 -46.0773 -45.9969 -45.9969 -45.9949 -45.9949 -30.2667 -30.2667 -30.2628 -30.2628 -16.8097 -16.8097 -16.7919 -16.7919 -14.7782 -14.7782 -14.7671 -14.7671 -14.7053 -14.7053 -14.6575 -14.6575 -1.0410 -1.0410 -0.7599 -0.7599 -0.4730 -0.4730 -0.3531 -0.3531 -0.2575 -0.2575 0.0345 0.0345 0.1216 0.1216 0.1569 0.1569 0.2884 0.2884 0.3439 0.3439 0.3494 0.3494 0.4608 0.4608 0.5588 0.5588 0.7768 0.7768 0.9736 0.9736 1.2020 1.2020 1.2644 1.2644 1.4359 1.4359 k = 0.0714 0.0104 0.0868 ( 27806 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4876 -50.4876 -46.0921 -46.0921 -46.0772 -46.0772 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7918 -16.7918 -14.7782 -14.7782 -14.7669 -14.7669 -14.7058 -14.7058 -14.6573 -14.6573 -1.0549 -1.0549 -0.7689 -0.7689 -0.4760 -0.4760 -0.3556 -0.3556 -0.2580 -0.2580 0.0343 0.0343 0.1219 0.1219 0.1583 0.1583 0.2897 0.2897 0.3480 0.3480 0.3536 0.3536 0.4671 0.4671 0.5466 0.5466 0.7880 0.7880 0.9717 0.9717 1.2206 1.2206 1.2651 1.2651 1.4183 1.4183 k = 0.0536 0.0078 0.0651 ( 27798 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4925 -50.4925 -50.4876 -50.4876 -46.0922 -46.0922 -46.0771 -46.0771 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8099 -16.8099 -16.7917 -16.7917 -14.7782 -14.7782 -14.7667 -14.7667 -14.7062 -14.7062 -14.6570 -14.6570 -1.0658 -1.0658 -0.7760 -0.7760 -0.4784 -0.4784 -0.3575 -0.3575 -0.2584 -0.2584 0.0341 0.0341 0.1221 0.1221 0.1596 0.1596 0.2907 0.2907 0.3513 0.3513 0.3571 0.3571 0.4721 0.4721 0.5369 0.5369 0.7976 0.7976 0.9702 0.9702 1.2364 1.2364 1.2684 1.2684 1.3999 1.3999 k = 0.0357 0.0052 0.0434 ( 27798 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0922 -46.0922 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2667 -30.2667 -30.2627 -30.2627 -16.8100 -16.8100 -16.7916 -16.7916 -14.7782 -14.7782 -14.7665 -14.7665 -14.7064 -14.7064 -14.6569 -14.6569 -1.0736 -1.0736 -0.7810 -0.7810 -0.4802 -0.4802 -0.3589 -0.3589 -0.2586 -0.2586 0.0340 0.0340 0.1221 0.1221 0.1606 0.1606 0.2914 0.2914 0.3536 0.3536 0.3596 0.3596 0.4758 0.4758 0.5299 0.5299 0.8051 0.8051 0.9691 0.9691 1.2463 1.2463 1.2767 1.2767 1.3816 1.3816 k = 0.0179 0.0026 0.0217 ( 27805 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7665 -14.7665 -14.7066 -14.7066 -14.6568 -14.6568 -1.0783 -1.0783 -0.7841 -0.7841 -0.4812 -0.4812 -0.3598 -0.3598 -0.2588 -0.2588 0.0339 0.0339 0.1221 0.1221 0.1612 0.1612 0.2919 0.2919 0.3551 0.3551 0.3612 0.3612 0.4780 0.4780 0.5256 0.5256 0.8098 0.8098 0.9685 0.9685 1.2500 1.2500 1.2879 1.2879 1.3663 1.3663 k = 0.0000 0.0000 0.0000 ( 27817 PWs) bands (ev): -81.6260 -81.6260 -81.6247 -81.6247 -50.4926 -50.4926 -50.4876 -50.4876 -46.0923 -46.0923 -46.0770 -46.0770 -45.9970 -45.9970 -45.9949 -45.9949 -30.2668 -30.2668 -30.2627 -30.2627 -16.8101 -16.8101 -16.7915 -16.7915 -14.7782 -14.7782 -14.7664 -14.7664 -14.7067 -14.7067 -14.6567 -14.6567 -1.0798 -1.0798 -0.7851 -0.7851 -0.4816 -0.4816 -0.3600 -0.3600 -0.2589 -0.2589 0.0339 0.0339 0.1221 0.1221 0.1614 0.1614 0.2920 0.2920 0.3555 0.3555 0.3617 0.3617 0.4787 0.4787 0.5242 0.5242 0.8114 0.8114 0.9682 0.9682 1.2509 1.2509 1.2936 1.2936 1.3597 1.3597 Writing output data file BaPd.save init_run : 1.48s CPU 1.79s WALL ( 1 calls) electrons : 706.18s CPU 711.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.16s CPU 0.20s WALL ( 1 calls) Called by electrons: c_bands : 706.18s CPU 711.28s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.04s CPU 0.04s WALL ( 1 calls) newd : 0.34s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.13s WALL ( 208 calls) cegterg : 669.12s CPU 673.21s WALL ( 482 calls) Called by sum_band: Called by *egterg: h_psi : 416.52s CPU 420.10s WALL ( 8624 calls) s_psi : 10.92s CPU 10.94s WALL ( 8624 calls) g_psi : 0.89s CPU 0.88s WALL ( 7934 calls) cdiaghg : 178.10s CPU 178.49s WALL ( 8142 calls) cegterg:over : 36.36s CPU 36.12s WALL ( 7934 calls) cegterg:upda : 29.40s CPU 29.86s WALL ( 7934 calls) cegterg:last : 16.36s CPU 16.39s WALL ( 1106 calls) cdiaghg:chol : 6.82s CPU 7.12s WALL ( 8142 calls) cdiaghg:inve : 4.96s CPU 5.00s WALL ( 8142 calls) cdiaghg:para : 10.90s CPU 11.09s WALL ( 16284 calls) Called by h_psi: h_psi:vloc : 389.36s CPU 392.80s WALL ( 8624 calls) h_psi:vnl : 26.22s CPU 26.36s WALL ( 8624 calls) add_vuspsi : 12.30s CPU 12.16s WALL ( 8624 calls) General routines calbec : 13.86s CPU 14.17s WALL ( 8624 calls) fft : 0.12s CPU 0.12s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 366.07s CPU 369.05s WALL ( 874884 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.26s CPU 0.48s WALL ( 416 calls) Parallel routines fft_scatter : 236.15s CPU 239.22s WALL ( 874907 calls) PWSCF : 13m11.22s CPU 13m38.81s WALL This run was terminated on: 23: 3:10 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=