Program PWSCF v.5.4.0 starts on 11Feb2017 at 4:10:16 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiH3C2O5.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 55 55 15 2709 2709 398 Max 56 56 16 2712 2712 401 Sum 1989 1989 557 97567 97567 14373 bravais-lattice index = 14 lattice parameter (alat) = 6.4459 a.u. unit-cell volume = 690.7044 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 4 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.445855 celldm(2)= 1.482263 celldm(3)= 1.800059 celldm(4)= 0.198171 celldm(5)= 0.088199 celldm(6)= 0.155228 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.230088 1.464296 0.000000 ) a(3) = ( 0.158763 0.336149 1.761252 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.157132 -0.060152 ) b(2) = ( 0.000000 0.682922 -0.130341 ) b(3) = ( 0.000000 0.000000 0.567778 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 1.00) C 4.00 12.01070 C( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.0785662 -0.0300762), wk = 0.0031949 k( 2) = ( 0.4893617 -0.0768945 -0.0294362), wk = 0.0031949 k( 3) = ( 0.4787234 -0.0752229 -0.0287963), wk = 0.0031949 k( 4) = ( 0.4680851 -0.0735513 -0.0281564), wk = 0.0031949 k( 5) = ( 0.4574468 -0.0718797 -0.0275165), wk = 0.0031949 k( 6) = ( 0.4468085 -0.0702081 -0.0268766), wk = 0.0031949 k( 7) = ( 0.4361702 -0.0685364 -0.0262366), wk = 0.0031949 k( 8) = ( 0.4255319 -0.0668648 -0.0255967), wk = 0.0031949 k( 9) = ( 0.4148936 -0.0651932 -0.0249568), wk = 0.0031949 k( 10) = ( 0.4042553 -0.0635216 -0.0243169), wk = 0.0031949 k( 11) = ( 0.3936170 -0.0618499 -0.0236770), wk = 0.0031949 k( 12) = ( 0.3829787 -0.0601783 -0.0230371), wk = 0.0031949 k( 13) = ( 0.3723404 -0.0585067 -0.0223971), wk = 0.0031949 k( 14) = ( 0.3617021 -0.0568351 -0.0217572), wk = 0.0031949 k( 15) = ( 0.3510638 -0.0551635 -0.0211173), wk = 0.0031949 k( 16) = ( 0.3404255 -0.0534918 -0.0204774), wk = 0.0031949 k( 17) = ( 0.3297872 -0.0518202 -0.0198375), wk = 0.0031949 k( 18) = ( 0.3191489 -0.0501486 -0.0191975), wk = 0.0031949 k( 19) = ( 0.3085106 -0.0484770 -0.0185576), wk = 0.0031949 k( 20) = ( 0.2978723 -0.0468054 -0.0179177), wk = 0.0031949 k( 21) = ( 0.2872340 -0.0451337 -0.0172778), wk = 0.0031949 k( 22) = ( 0.2765957 -0.0434621 -0.0166379), wk = 0.0031949 k( 23) = ( 0.2659574 -0.0417905 -0.0159980), wk = 0.0031949 k( 24) = ( 0.2553191 -0.0401189 -0.0153580), wk = 0.0031949 k( 25) = ( 0.2446809 -0.0384473 -0.0147181), wk = 0.0031949 k( 26) = ( 0.2340425 -0.0367756 -0.0140782), wk = 0.0031949 k( 27) = ( 0.2234043 -0.0351040 -0.0134383), wk = 0.0031949 k( 28) = ( 0.2127660 -0.0334324 -0.0127984), wk = 0.0031949 k( 29) = ( 0.2021277 -0.0317608 -0.0121584), wk = 0.0031949 k( 30) = ( 0.1914894 -0.0300892 -0.0115185), wk = 0.0031949 k( 31) = ( 0.1808511 -0.0284175 -0.0108786), wk = 0.0031949 k( 32) = ( 0.1702128 -0.0267459 -0.0102387), wk = 0.0031949 k( 33) = ( 0.1595745 -0.0250743 -0.0095988), wk = 0.0031949 k( 34) = ( 0.1489362 -0.0234027 -0.0089589), wk = 0.0031949 k( 35) = ( 0.1382979 -0.0217311 -0.0083189), wk = 0.0031949 k( 36) = ( 0.1276596 -0.0200594 -0.0076790), wk = 0.0031949 k( 37) = ( 0.1170213 -0.0183878 -0.0070391), wk = 0.0031949 k( 38) = ( 0.1063830 -0.0167162 -0.0063992), wk = 0.0031949 k( 39) = ( 0.0957447 -0.0150446 -0.0057593), wk = 0.0031949 k( 40) = ( 0.0851064 -0.0133730 -0.0051193), wk = 0.0031949 k( 41) = ( 0.0744681 -0.0117013 -0.0044794), wk = 0.0031949 k( 42) = ( 0.0638298 -0.0100297 -0.0038395), wk = 0.0031949 k( 43) = ( 0.0531915 -0.0083581 -0.0031996), wk = 0.0031949 k( 44) = ( 0.0425532 -0.0066865 -0.0025597), wk = 0.0031949 k( 45) = ( 0.0319149 -0.0050149 -0.0019198), wk = 0.0031949 k( 46) = ( 0.0212766 -0.0033432 -0.0012798), wk = 0.0031949 k( 47) = ( 0.0106383 -0.0016716 -0.0006399), wk = 0.0031949 k( 48) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 49) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 50) = ( 0.0000000 0.0103473 -0.0019749), wk = 0.0031949 k( 51) = ( 0.0000000 0.0206946 -0.0039497), wk = 0.0031949 k( 52) = ( 0.0000000 0.0310419 -0.0059246), wk = 0.0031949 k( 53) = ( 0.0000000 0.0413892 -0.0078995), wk = 0.0031949 k( 54) = ( 0.0000000 0.0517365 -0.0098743), wk = 0.0031949 k( 55) = ( 0.0000000 0.0620838 -0.0118492), wk = 0.0031949 k( 56) = ( 0.0000000 0.0724311 -0.0138240), wk = 0.0031949 k( 57) = ( 0.0000000 0.0827784 -0.0157989), wk = 0.0031949 k( 58) = ( 0.0000000 0.0931257 -0.0177738), wk = 0.0031949 k( 59) = ( 0.0000000 0.1034730 -0.0197486), wk = 0.0031949 k( 60) = ( 0.0000000 0.1138203 -0.0217235), wk = 0.0031949 k( 61) = ( 0.0000000 0.1241676 -0.0236984), wk = 0.0031949 k( 62) = ( 0.0000000 0.1345149 -0.0256732), wk = 0.0031949 k( 63) = ( 0.0000000 0.1448622 -0.0276481), wk = 0.0031949 k( 64) = ( 0.0000000 0.1552095 -0.0296230), wk = 0.0031949 k( 65) = ( 0.0000000 0.1655568 -0.0315978), wk = 0.0031949 k( 66) = ( 0.0000000 0.1759041 -0.0335727), wk = 0.0031949 k( 67) = ( 0.0000000 0.1862514 -0.0355475), wk = 0.0031949 k( 68) = ( 0.0000000 0.1965987 -0.0375224), wk = 0.0031949 k( 69) = ( 0.0000000 0.2069460 -0.0394973), wk = 0.0031949 k( 70) = ( 0.0000000 0.2172933 -0.0414721), wk = 0.0031949 k( 71) = ( 0.0000000 0.2276406 -0.0434470), wk = 0.0031949 k( 72) = ( 0.0000000 0.2379879 -0.0454219), wk = 0.0031949 k( 73) = ( 0.0000000 0.2483352 -0.0473967), wk = 0.0031949 k( 74) = ( 0.0000000 0.2586825 -0.0493716), wk = 0.0031949 k( 75) = ( 0.0000000 0.2690298 -0.0513464), wk = 0.0031949 k( 76) = ( 0.0000000 0.2793771 -0.0533213), wk = 0.0031949 k( 77) = ( 0.0000000 0.2897244 -0.0552962), wk = 0.0031949 k( 78) = ( 0.0000000 0.3000717 -0.0572710), wk = 0.0031949 k( 79) = ( 0.0000000 0.3104190 -0.0592459), wk = 0.0031949 k( 80) = ( 0.0000000 0.3207663 -0.0612208), wk = 0.0031949 k( 81) = ( 0.0000000 0.3311136 -0.0631956), wk = 0.0031949 k( 82) = ( 0.0000000 0.3414609 -0.0651705), wk = 0.0031949 k( 83) = ( 0.5000000 0.2628948 -0.0952466), wk = 0.0031949 k( 84) = ( 0.4905660 0.2579345 -0.0934495), wk = 0.0031949 k( 85) = ( 0.4811321 0.2529742 -0.0916524), wk = 0.0031949 k( 86) = ( 0.4716981 0.2480139 -0.0898553), wk = 0.0031949 k( 87) = ( 0.4622641 0.2430537 -0.0880582), wk = 0.0031949 k( 88) = ( 0.4528302 0.2380934 -0.0862611), wk = 0.0031949 k( 89) = ( 0.4433962 0.2331331 -0.0844640), wk = 0.0031949 k( 90) = ( 0.4339623 0.2281728 -0.0826669), wk = 0.0031949 k( 91) = ( 0.4245283 0.2232126 -0.0808698), wk = 0.0031949 k( 92) = ( 0.4150943 0.2182523 -0.0790727), wk = 0.0031949 k( 93) = ( 0.4056604 0.2132920 -0.0772756), wk = 0.0031949 k( 94) = ( 0.3962264 0.2083317 -0.0754785), wk = 0.0031949 k( 95) = ( 0.3867925 0.2033714 -0.0736814), wk = 0.0031949 k( 96) = ( 0.3773585 0.1984112 -0.0718843), wk = 0.0031949 k( 97) = ( 0.3679245 0.1934509 -0.0700872), wk = 0.0031949 k( 98) = ( 0.3584906 0.1884906 -0.0682900), wk = 0.0031949 k( 99) = ( 0.3490566 0.1835303 -0.0664929), wk = 0.0031949 k( 100) = ( 0.3396226 0.1785700 -0.0646958), wk = 0.0031949 k( 101) = ( 0.3301887 0.1736098 -0.0628987), wk = 0.0031949 k( 102) = ( 0.3207547 0.1686495 -0.0611016), wk = 0.0031949 k( 103) = ( 0.3113207 0.1636892 -0.0593045), wk = 0.0031949 k( 104) = ( 0.3018868 0.1587289 -0.0575074), wk = 0.0031949 k( 105) = ( 0.2924528 0.1537686 -0.0557103), wk = 0.0031949 k( 106) = ( 0.2830189 0.1488084 -0.0539132), wk = 0.0031949 k( 107) = ( 0.2735849 0.1438481 -0.0521161), wk = 0.0031949 k( 108) = ( 0.2641509 0.1388878 -0.0503190), wk = 0.0031949 k( 109) = ( 0.2547170 0.1339275 -0.0485219), wk = 0.0031949 k( 110) = ( 0.2452830 0.1289673 -0.0467248), wk = 0.0031949 k( 111) = ( 0.2358491 0.1240070 -0.0449277), wk = 0.0031949 k( 112) = ( 0.2264151 0.1190467 -0.0431306), wk = 0.0031949 k( 113) = ( 0.2169811 0.1140864 -0.0413334), wk = 0.0031949 k( 114) = ( 0.2075472 0.1091261 -0.0395363), wk = 0.0031949 k( 115) = ( 0.1981132 0.1041659 -0.0377392), wk = 0.0031949 k( 116) = ( 0.1886792 0.0992056 -0.0359421), wk = 0.0031949 k( 117) = ( 0.1792453 0.0942453 -0.0341450), wk = 0.0031949 k( 118) = ( 0.1698113 0.0892850 -0.0323479), wk = 0.0031949 k( 119) = ( 0.1603774 0.0843247 -0.0305508), wk = 0.0031949 k( 120) = ( 0.1509434 0.0793645 -0.0287537), wk = 0.0031949 k( 121) = ( 0.1415094 0.0744042 -0.0269566), wk = 0.0031949 k( 122) = ( 0.1320755 0.0694439 -0.0251595), wk = 0.0031949 k( 123) = ( 0.1226415 0.0644836 -0.0233624), wk = 0.0031949 k( 124) = ( 0.1132076 0.0595233 -0.0215653), wk = 0.0031949 k( 125) = ( 0.1037736 0.0545631 -0.0197682), wk = 0.0031949 k( 126) = ( 0.0943396 0.0496028 -0.0179711), wk = 0.0031949 k( 127) = ( 0.0849057 0.0446425 -0.0161740), wk = 0.0031949 k( 128) = ( 0.0754717 0.0396822 -0.0143769), wk = 0.0031949 k( 129) = ( 0.0660377 0.0347220 -0.0125797), wk = 0.0031949 k( 130) = ( 0.0566038 0.0297617 -0.0107826), wk = 0.0031949 k( 131) = ( 0.0471698 0.0248014 -0.0089855), wk = 0.0031949 k( 132) = ( 0.0377359 0.0198411 -0.0071884), wk = 0.0031949 k( 133) = ( 0.0283019 0.0148808 -0.0053913), wk = 0.0031949 k( 134) = ( 0.0188679 0.0099206 -0.0035942), wk = 0.0031949 k( 135) = ( 0.0094340 0.0049603 -0.0017971), wk = 0.0031949 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 138) = ( 0.0000000 0.0000000 0.0105144), wk = 0.0031949 k( 139) = ( 0.0000000 0.0000000 0.0210288), wk = 0.0031949 k( 140) = ( 0.0000000 0.0000000 0.0315432), wk = 0.0031949 k( 141) = ( 0.0000000 0.0000000 0.0420576), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.0525720), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.0630864), wk = 0.0031949 k( 144) = ( 0.0000000 0.0000000 0.0736008), wk = 0.0031949 k( 145) = ( 0.0000000 0.0000000 0.0841152), wk = 0.0031949 k( 146) = ( 0.0000000 0.0000000 0.0946296), wk = 0.0031949 k( 147) = ( 0.0000000 0.0000000 0.1051441), wk = 0.0031949 k( 148) = ( 0.0000000 0.0000000 0.1156584), wk = 0.0031949 k( 149) = ( 0.0000000 0.0000000 0.1261729), wk = 0.0031949 k( 150) = ( 0.0000000 0.0000000 0.1366873), wk = 0.0031949 k( 151) = ( 0.0000000 0.0000000 0.1472017), wk = 0.0031949 k( 152) = ( 0.0000000 0.0000000 0.1577161), wk = 0.0031949 k( 153) = ( 0.0000000 0.0000000 0.1682305), wk = 0.0031949 k( 154) = ( 0.0000000 0.0000000 0.1787449), wk = 0.0031949 k( 155) = ( 0.0000000 0.0000000 0.1892593), wk = 0.0031949 k( 156) = ( 0.0000000 0.0000000 0.1997737), wk = 0.0031949 k( 157) = ( 0.0000000 0.0000000 0.2102881), wk = 0.0031949 k( 158) = ( 0.0000000 0.0000000 0.2208025), wk = 0.0031949 k( 159) = ( 0.0000000 0.0000000 0.2313169), wk = 0.0031949 k( 160) = ( 0.0000000 0.0000000 0.2418313), wk = 0.0031949 k( 161) = ( 0.0000000 0.0000000 0.2523457), wk = 0.0031949 k( 162) = ( 0.0000000 0.0000000 0.2628601), wk = 0.0031949 k( 163) = ( 0.0000000 0.0000000 0.2733745), wk = 0.0031949 k( 164) = ( 0.0000000 0.0000000 0.2838889), wk = 0.0031949 k( 165) = ( 0.5000000 -0.0785662 0.2538128), wk = 0.0031949 k( 166) = ( 0.4905660 -0.0770838 0.2490239), wk = 0.0031949 k( 167) = ( 0.4811321 -0.0756014 0.2442349), wk = 0.0031949 k( 168) = ( 0.4716981 -0.0741190 0.2394460), wk = 0.0031949 k( 169) = ( 0.4622641 -0.0726366 0.2346571), wk = 0.0031949 k( 170) = ( 0.4528302 -0.0711543 0.2298682), wk = 0.0031949 k( 171) = ( 0.4433962 -0.0696719 0.2250793), wk = 0.0031949 k( 172) = ( 0.4339623 -0.0681895 0.2202903), wk = 0.0031949 k( 173) = ( 0.4245283 -0.0667071 0.2155014), wk = 0.0031949 k( 174) = ( 0.4150943 -0.0652247 0.2107125), wk = 0.0031949 k( 175) = ( 0.4056604 -0.0637424 0.2059236), wk = 0.0031949 k( 176) = ( 0.3962264 -0.0622600 0.2011347), wk = 0.0031949 k( 177) = ( 0.3867925 -0.0607776 0.1963457), wk = 0.0031949 k( 178) = ( 0.3773585 -0.0592952 0.1915568), wk = 0.0031949 k( 179) = ( 0.3679245 -0.0578128 0.1867679), wk = 0.0031949 k( 180) = ( 0.3584906 -0.0563304 0.1819790), wk = 0.0031949 k( 181) = ( 0.3490566 -0.0548481 0.1771901), wk = 0.0031949 k( 182) = ( 0.3396226 -0.0533657 0.1724011), wk = 0.0031949 k( 183) = ( 0.3301887 -0.0518833 0.1676122), wk = 0.0031949 k( 184) = ( 0.3207547 -0.0504009 0.1628233), wk = 0.0031949 k( 185) = ( 0.3113207 -0.0489185 0.1580344), wk = 0.0031949 k( 186) = ( 0.3018868 -0.0474362 0.1532454), wk = 0.0031949 k( 187) = ( 0.2924528 -0.0459538 0.1484565), wk = 0.0031949 k( 188) = ( 0.2830189 -0.0444714 0.1436676), wk = 0.0031949 k( 189) = ( 0.2735849 -0.0429890 0.1388787), wk = 0.0031949 k( 190) = ( 0.2641509 -0.0415066 0.1340898), wk = 0.0031949 k( 191) = ( 0.2547170 -0.0400243 0.1293008), wk = 0.0031949 k( 192) = ( 0.2452830 -0.0385419 0.1245119), wk = 0.0031949 k( 193) = ( 0.2358491 -0.0370595 0.1197230), wk = 0.0031949 k( 194) = ( 0.2264151 -0.0355771 0.1149341), wk = 0.0031949 k( 195) = ( 0.2169811 -0.0340947 0.1101452), wk = 0.0031949 k( 196) = ( 0.2075472 -0.0326124 0.1053562), wk = 0.0031949 k( 197) = ( 0.1981132 -0.0311300 0.1005673), wk = 0.0031949 k( 198) = ( 0.1886792 -0.0296476 0.0957784), wk = 0.0031949 k( 199) = ( 0.1792453 -0.0281652 0.0909895), wk = 0.0031949 k( 200) = ( 0.1698113 -0.0266828 0.0862006), wk = 0.0031949 k( 201) = ( 0.1603774 -0.0252005 0.0814116), wk = 0.0031949 k( 202) = ( 0.1509434 -0.0237181 0.0766227), wk = 0.0031949 k( 203) = ( 0.1415094 -0.0222357 0.0718338), wk = 0.0031949 k( 204) = ( 0.1320755 -0.0207533 0.0670449), wk = 0.0031949 k( 205) = ( 0.1226415 -0.0192709 0.0622560), wk = 0.0031949 k( 206) = ( 0.1132076 -0.0177886 0.0574670), wk = 0.0031949 k( 207) = ( 0.1037736 -0.0163062 0.0526781), wk = 0.0031949 k( 208) = ( 0.0943396 -0.0148238 0.0478892), wk = 0.0031949 k( 209) = ( 0.0849057 -0.0133414 0.0431003), wk = 0.0031949 k( 210) = ( 0.0754717 -0.0118590 0.0383114), wk = 0.0031949 k( 211) = ( 0.0660377 -0.0103767 0.0335224), wk = 0.0031949 k( 212) = ( 0.0566038 -0.0088943 0.0287335), wk = 0.0031949 k( 213) = ( 0.0471698 -0.0074119 0.0239446), wk = 0.0031949 k( 214) = ( 0.0377359 -0.0059295 0.0191557), wk = 0.0031949 k( 215) = ( 0.0283019 -0.0044471 0.0143668), wk = 0.0031949 k( 216) = ( 0.0188679 -0.0029648 0.0095778), wk = 0.0031949 k( 217) = ( 0.0094340 -0.0014824 0.0047889), wk = 0.0031949 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 220) = ( 0.0000000 0.0089858 0.0057557), wk = 0.0031949 k( 221) = ( 0.0000000 0.0179716 0.0115115), wk = 0.0031949 k( 222) = ( 0.0000000 0.0269574 0.0172672), wk = 0.0031949 k( 223) = ( 0.0000000 0.0359433 0.0230230), wk = 0.0031949 k( 224) = ( 0.0000000 0.0449291 0.0287787), wk = 0.0031949 k( 225) = ( 0.0000000 0.0539149 0.0345345), wk = 0.0031949 k( 226) = ( 0.0000000 0.0629007 0.0402902), wk = 0.0031949 k( 227) = ( 0.0000000 0.0718865 0.0460460), wk = 0.0031949 k( 228) = ( 0.0000000 0.0808723 0.0518017), wk = 0.0031949 k( 229) = ( 0.0000000 0.0898581 0.0575575), wk = 0.0031949 k( 230) = ( 0.0000000 0.0988440 0.0633132), wk = 0.0031949 k( 231) = ( 0.0000000 0.1078298 0.0690690), wk = 0.0031949 k( 232) = ( 0.0000000 0.1168156 0.0748247), wk = 0.0031949 k( 233) = ( 0.0000000 0.1258014 0.0805805), wk = 0.0031949 k( 234) = ( 0.0000000 0.1347872 0.0863362), wk = 0.0031949 k( 235) = ( 0.0000000 0.1437730 0.0920920), wk = 0.0031949 k( 236) = ( 0.0000000 0.1527588 0.0978477), wk = 0.0031949 k( 237) = ( 0.0000000 0.1617447 0.1036035), wk = 0.0031949 k( 238) = ( 0.0000000 0.1707305 0.1093592), wk = 0.0031949 k( 239) = ( 0.0000000 0.1797163 0.1151150), wk = 0.0031949 k( 240) = ( 0.0000000 0.1887021 0.1208707), wk = 0.0031949 k( 241) = ( 0.0000000 0.1976879 0.1266265), wk = 0.0031949 k( 242) = ( 0.0000000 0.2066737 0.1323822), wk = 0.0031949 k( 243) = ( 0.0000000 0.2156595 0.1381380), wk = 0.0031949 k( 244) = ( 0.0000000 0.2246454 0.1438937), wk = 0.0031949 k( 245) = ( 0.0000000 0.2336312 0.1496495), wk = 0.0031949 k( 246) = ( 0.0000000 0.2426170 0.1554052), wk = 0.0031949 k( 247) = ( 0.0000000 0.2516028 0.1611609), wk = 0.0031949 k( 248) = ( 0.0000000 0.2605886 0.1669167), wk = 0.0031949 k( 249) = ( 0.0000000 0.2695744 0.1726724), wk = 0.0031949 k( 250) = ( 0.0000000 0.2785602 0.1784282), wk = 0.0031949 k( 251) = ( 0.0000000 0.2875461 0.1841839), wk = 0.0031949 k( 252) = ( 0.0000000 0.2965319 0.1899397), wk = 0.0031949 k( 253) = ( 0.0000000 0.3055177 0.1956954), wk = 0.0031949 k( 254) = ( 0.0000000 0.3145035 0.2014512), wk = 0.0031949 k( 255) = ( 0.0000000 0.3234893 0.2072069), wk = 0.0031949 k( 256) = ( 0.0000000 0.3324751 0.2129627), wk = 0.0031949 k( 257) = ( 0.0000000 0.3414609 0.2187184), wk = 0.0031949 k( 258) = ( 0.5000000 0.2628948 0.1886423), wk = 0.0031949 k( 259) = ( 0.4909091 0.2581149 0.1852124), wk = 0.0031949 k( 260) = ( 0.4818182 0.2533350 0.1817826), wk = 0.0031949 k( 261) = ( 0.4727273 0.2485551 0.1783527), wk = 0.0031949 k( 262) = ( 0.4636364 0.2437752 0.1749228), wk = 0.0031949 k( 263) = ( 0.4545455 0.2389953 0.1714930), wk = 0.0031949 k( 264) = ( 0.4454546 0.2342154 0.1680631), wk = 0.0031949 k( 265) = ( 0.4363636 0.2294354 0.1646333), wk = 0.0031949 k( 266) = ( 0.4272727 0.2246555 0.1612034), wk = 0.0031949 k( 267) = ( 0.4181818 0.2198756 0.1577735), wk = 0.0031949 k( 268) = ( 0.4090909 0.2150957 0.1543437), wk = 0.0031949 k( 269) = ( 0.4000000 0.2103158 0.1509138), wk = 0.0031949 k( 270) = ( 0.3909091 0.2055359 0.1474840), wk = 0.0031949 k( 271) = ( 0.3818182 0.2007560 0.1440541), wk = 0.0031949 k( 272) = ( 0.3727273 0.1959761 0.1406242), wk = 0.0031949 k( 273) = ( 0.3636364 0.1911962 0.1371944), wk = 0.0031949 k( 274) = ( 0.3545454 0.1864163 0.1337645), wk = 0.0031949 k( 275) = ( 0.3454546 0.1816364 0.1303347), wk = 0.0031949 k( 276) = ( 0.3363636 0.1768565 0.1269048), wk = 0.0031949 k( 277) = ( 0.3272727 0.1720766 0.1234749), wk = 0.0031949 k( 278) = ( 0.3181818 0.1672967 0.1200451), wk = 0.0031949 k( 279) = ( 0.3090909 0.1625168 0.1166152), wk = 0.0031949 k( 280) = ( 0.3000000 0.1577369 0.1131854), wk = 0.0031949 k( 281) = ( 0.2909091 0.1529570 0.1097555), wk = 0.0031949 k( 282) = ( 0.2818182 0.1481771 0.1063256), wk = 0.0031949 k( 283) = ( 0.2727273 0.1433972 0.1028958), wk = 0.0031949 k( 284) = ( 0.2636364 0.1386172 0.0994659), wk = 0.0031949 k( 285) = ( 0.2545455 0.1338373 0.0960361), wk = 0.0031949 k( 286) = ( 0.2454545 0.1290574 0.0926062), wk = 0.0031949 k( 287) = ( 0.2363636 0.1242775 0.0891764), wk = 0.0031949 k( 288) = ( 0.2272727 0.1194976 0.0857465), wk = 0.0031949 k( 289) = ( 0.2181818 0.1147177 0.0823166), wk = 0.0031949 k( 290) = ( 0.2090909 0.1099378 0.0788868), wk = 0.0031949 k( 291) = ( 0.2000000 0.1051579 0.0754569), wk = 0.0031949 k( 292) = ( 0.1909091 0.1003780 0.0720271), wk = 0.0031949 k( 293) = ( 0.1818182 0.0955981 0.0685972), wk = 0.0031949 k( 294) = ( 0.1727273 0.0908182 0.0651673), wk = 0.0031949 k( 295) = ( 0.1636364 0.0860383 0.0617375), wk = 0.0031949 k( 296) = ( 0.1545455 0.0812584 0.0583076), wk = 0.0031949 k( 297) = ( 0.1454545 0.0764785 0.0548778), wk = 0.0031949 k( 298) = ( 0.1363636 0.0716986 0.0514479), wk = 0.0031949 k( 299) = ( 0.1272727 0.0669187 0.0480180), wk = 0.0031949 k( 300) = ( 0.1181818 0.0621388 0.0445882), wk = 0.0031949 k( 301) = ( 0.1090909 0.0573589 0.0411583), wk = 0.0031949 k( 302) = ( 0.1000000 0.0525790 0.0377285), wk = 0.0031949 k( 303) = ( 0.0909091 0.0477991 0.0342986), wk = 0.0031949 k( 304) = ( 0.0818182 0.0430191 0.0308687), wk = 0.0031949 k( 305) = ( 0.0727273 0.0382392 0.0274389), wk = 0.0031949 k( 306) = ( 0.0636364 0.0334593 0.0240090), wk = 0.0031949 k( 307) = ( 0.0545455 0.0286794 0.0205792), wk = 0.0031949 k( 308) = ( 0.0454546 0.0238995 0.0171493), wk = 0.0031949 k( 309) = ( 0.0363636 0.0191196 0.0137194), wk = 0.0031949 k( 310) = ( 0.0272727 0.0143397 0.0102896), wk = 0.0031949 k( 311) = ( 0.0181818 0.0095598 0.0068597), wk = 0.0031949 k( 312) = ( 0.0090909 0.0047799 0.0034299), wk = 0.0031949 k( 313) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 cryst. coord. k( 1) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.4893617 0.0000000 0.0000000), wk = 0.0031949 k( 3) = ( 0.4787234 -0.0000000 -0.0000000), wk = 0.0031949 k( 4) = ( 0.4680851 -0.0000000 0.0000000), wk = 0.0031949 k( 5) = ( 0.4574468 -0.0000000 -0.0000000), wk = 0.0031949 k( 6) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0031949 k( 7) = ( 0.4361702 -0.0000000 -0.0000000), wk = 0.0031949 k( 8) = ( 0.4255319 -0.0000000 0.0000000), wk = 0.0031949 k( 9) = ( 0.4148936 -0.0000000 -0.0000000), wk = 0.0031949 k( 10) = ( 0.4042553 -0.0000000 -0.0000000), wk = 0.0031949 k( 11) = ( 0.3936170 -0.0000000 -0.0000000), wk = 0.0031949 k( 12) = ( 0.3829787 -0.0000000 0.0000000), wk = 0.0031949 k( 13) = ( 0.3723404 -0.0000000 -0.0000000), wk = 0.0031949 k( 14) = ( 0.3617021 -0.0000000 0.0000000), wk = 0.0031949 k( 15) = ( 0.3510638 0.0000000 0.0000000), wk = 0.0031949 k( 16) = ( 0.3404255 -0.0000000 -0.0000000), wk = 0.0031949 k( 17) = ( 0.3297872 -0.0000000 -0.0000000), wk = 0.0031949 k( 18) = ( 0.3191489 -0.0000000 -0.0000000), wk = 0.0031949 k( 19) = ( 0.3085106 -0.0000000 -0.0000000), wk = 0.0031949 k( 20) = ( 0.2978723 -0.0000000 0.0000000), wk = 0.0031949 k( 21) = ( 0.2872340 -0.0000000 -0.0000000), wk = 0.0031949 k( 22) = ( 0.2765957 -0.0000000 -0.0000000), wk = 0.0031949 k( 23) = ( 0.2659574 -0.0000000 -0.0000000), wk = 0.0031949 k( 24) = ( 0.2553191 -0.0000000 -0.0000000), wk = 0.0031949 k( 25) = ( 0.2446809 0.0000000 0.0000000), wk = 0.0031949 k( 26) = ( 0.2340425 -0.0000000 -0.0000000), wk = 0.0031949 k( 27) = ( 0.2234043 -0.0000000 0.0000000), wk = 0.0031949 k( 28) = ( 0.2127660 -0.0000000 -0.0000000), wk = 0.0031949 k( 29) = ( 0.2021277 -0.0000000 -0.0000000), wk = 0.0031949 k( 30) = ( 0.1914894 -0.0000000 0.0000000), wk = 0.0031949 k( 31) = ( 0.1808511 -0.0000000 -0.0000000), wk = 0.0031949 k( 32) = ( 0.1702128 -0.0000000 -0.0000000), wk = 0.0031949 k( 33) = ( 0.1595745 -0.0000000 -0.0000000), wk = 0.0031949 k( 34) = ( 0.1489362 -0.0000000 0.0000000), wk = 0.0031949 k( 35) = ( 0.1382979 -0.0000000 -0.0000000), wk = 0.0031949 k( 36) = ( 0.1276596 -0.0000000 -0.0000000), wk = 0.0031949 k( 37) = ( 0.1170213 -0.0000000 -0.0000000), wk = 0.0031949 k( 38) = ( 0.1063830 -0.0000000 -0.0000000), wk = 0.0031949 k( 39) = ( 0.0957447 -0.0000000 0.0000000), wk = 0.0031949 k( 40) = ( 0.0851064 -0.0000000 0.0000000), wk = 0.0031949 k( 41) = ( 0.0744681 -0.0000000 0.0000000), wk = 0.0031949 k( 42) = ( 0.0638298 -0.0000000 0.0000000), wk = 0.0031949 k( 43) = ( 0.0531915 -0.0000000 -0.0000000), wk = 0.0031949 k( 44) = ( 0.0425532 -0.0000000 0.0000000), wk = 0.0031949 k( 45) = ( 0.0319149 -0.0000000 -0.0000000), wk = 0.0031949 k( 46) = ( 0.0212766 -0.0000000 -0.0000000), wk = 0.0031949 k( 47) = ( 0.0106383 -0.0000000 -0.0000000), wk = 0.0031949 k( 48) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 49) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 50) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0031949 k( 51) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0031949 k( 52) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0031949 k( 53) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0031949 k( 54) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0031949 k( 55) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0031949 k( 56) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0031949 k( 57) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0031949 k( 58) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0031949 k( 59) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0031949 k( 60) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031949 k( 61) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0031949 k( 62) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0031949 k( 63) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0031949 k( 64) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0031949 k( 65) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0031949 k( 66) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0031949 k( 67) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0031949 k( 68) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0031949 k( 69) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0031949 k( 70) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0031949 k( 71) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0031949 k( 72) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0031949 k( 73) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0031949 k( 74) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0031949 k( 75) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0031949 k( 76) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0031949 k( 77) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0031949 k( 78) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0031949 k( 79) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0031949 k( 80) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0031949 k( 81) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0031949 k( 82) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 84) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0031949 k( 85) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0031949 k( 86) = ( 0.4716981 0.4716981 0.0000000), wk = 0.0031949 k( 87) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0031949 k( 88) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0031949 k( 89) = ( 0.4433962 0.4433962 0.0000000), wk = 0.0031949 k( 90) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0031949 k( 91) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0031949 k( 92) = ( 0.4150943 0.4150943 0.0000000), wk = 0.0031949 k( 93) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0031949 k( 94) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0031949 k( 95) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0031949 k( 96) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0031949 k( 97) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0031949 k( 98) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0031949 k( 99) = ( 0.3490566 0.3490566 0.0000000), wk = 0.0031949 k( 100) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0031949 k( 101) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0031949 k( 102) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0031949 k( 103) = ( 0.3113207 0.3113208 -0.0000000), wk = 0.0031949 k( 104) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0031949 k( 105) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0031949 k( 106) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0031949 k( 107) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0031949 k( 108) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0031949 k( 109) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0031949 k( 110) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0031949 k( 111) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0031949 k( 112) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0031949 k( 113) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0031949 k( 114) = ( 0.2075472 0.2075472 0.0000000), wk = 0.0031949 k( 115) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0031949 k( 116) = ( 0.1886792 0.1886793 -0.0000000), wk = 0.0031949 k( 117) = ( 0.1792453 0.1792453 0.0000000), wk = 0.0031949 k( 118) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0031949 k( 119) = ( 0.1603774 0.1603774 0.0000000), wk = 0.0031949 k( 120) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0031949 k( 121) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0031949 k( 122) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0031949 k( 123) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0031949 k( 124) = ( 0.1132076 0.1132076 0.0000000), wk = 0.0031949 k( 125) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0031949 k( 126) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0031949 k( 127) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0031949 k( 128) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0031949 k( 129) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0031949 k( 130) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0031949 k( 131) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0031949 k( 132) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0031949 k( 133) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0031949 k( 134) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0031949 k( 135) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0031949 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 138) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0031949 k( 139) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0031949 k( 140) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0031949 k( 141) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0031949 k( 144) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0031949 k( 145) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0031949 k( 146) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031949 k( 147) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0031949 k( 148) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0031949 k( 149) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0031949 k( 150) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0031949 k( 151) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0031949 k( 152) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0031949 k( 153) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0031949 k( 154) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0031949 k( 155) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031949 k( 156) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0031949 k( 157) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0031949 k( 158) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0031949 k( 159) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0031949 k( 160) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0031949 k( 161) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0031949 k( 162) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0031949 k( 163) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0031949 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 165) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031949 k( 166) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0031949 k( 167) = ( 0.4811321 -0.0000000 0.4811321), wk = 0.0031949 k( 168) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0031949 k( 169) = ( 0.4622641 -0.0000000 0.4622642), wk = 0.0031949 k( 170) = ( 0.4528302 0.0000000 0.4528302), wk = 0.0031949 k( 171) = ( 0.4433962 -0.0000000 0.4433962), wk = 0.0031949 k( 172) = ( 0.4339623 -0.0000000 0.4339623), wk = 0.0031949 k( 173) = ( 0.4245283 -0.0000000 0.4245283), wk = 0.0031949 k( 174) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0031949 k( 175) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0031949 k( 176) = ( 0.3962264 -0.0000000 0.3962264), wk = 0.0031949 k( 177) = ( 0.3867925 -0.0000000 0.3867925), wk = 0.0031949 k( 178) = ( 0.3773585 -0.0000000 0.3773585), wk = 0.0031949 k( 179) = ( 0.3679245 -0.0000000 0.3679245), wk = 0.0031949 k( 180) = ( 0.3584906 -0.0000000 0.3584906), wk = 0.0031949 k( 181) = ( 0.3490566 0.0000000 0.3490566), wk = 0.0031949 k( 182) = ( 0.3396226 -0.0000000 0.3396226), wk = 0.0031949 k( 183) = ( 0.3301887 -0.0000000 0.3301887), wk = 0.0031949 k( 184) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0031949 k( 185) = ( 0.3113207 -0.0000000 0.3113208), wk = 0.0031949 k( 186) = ( 0.3018868 0.0000000 0.3018868), wk = 0.0031949 k( 187) = ( 0.2924528 -0.0000000 0.2924528), wk = 0.0031949 k( 188) = ( 0.2830189 -0.0000000 0.2830189), wk = 0.0031949 k( 189) = ( 0.2735849 -0.0000000 0.2735849), wk = 0.0031949 k( 190) = ( 0.2641509 -0.0000000 0.2641509), wk = 0.0031949 k( 191) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0031949 k( 192) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0031949 k( 193) = ( 0.2358491 -0.0000000 0.2358491), wk = 0.0031949 k( 194) = ( 0.2264151 -0.0000000 0.2264151), wk = 0.0031949 k( 195) = ( 0.2169811 -0.0000000 0.2169811), wk = 0.0031949 k( 196) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0031949 k( 197) = ( 0.1981132 -0.0000000 0.1981132), wk = 0.0031949 k( 198) = ( 0.1886792 -0.0000000 0.1886793), wk = 0.0031949 k( 199) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0031949 k( 200) = ( 0.1698113 -0.0000000 0.1698113), wk = 0.0031949 k( 201) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0031949 k( 202) = ( 0.1509434 -0.0000000 0.1509434), wk = 0.0031949 k( 203) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0031949 k( 204) = ( 0.1320755 -0.0000000 0.1320755), wk = 0.0031949 k( 205) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0031949 k( 206) = ( 0.1132076 -0.0000000 0.1132076), wk = 0.0031949 k( 207) = ( 0.1037736 -0.0000000 0.1037736), wk = 0.0031949 k( 208) = ( 0.0943396 -0.0000000 0.0943396), wk = 0.0031949 k( 209) = ( 0.0849057 -0.0000000 0.0849057), wk = 0.0031949 k( 210) = ( 0.0754717 -0.0000000 0.0754717), wk = 0.0031949 k( 211) = ( 0.0660377 -0.0000000 0.0660377), wk = 0.0031949 k( 212) = ( 0.0566038 -0.0000000 0.0566038), wk = 0.0031949 k( 213) = ( 0.0471698 -0.0000000 0.0471698), wk = 0.0031949 k( 214) = ( 0.0377359 -0.0000000 0.0377359), wk = 0.0031949 k( 215) = ( 0.0283019 0.0000000 0.0283019), wk = 0.0031949 k( 216) = ( 0.0188679 -0.0000000 0.0188679), wk = 0.0031949 k( 217) = ( 0.0094340 -0.0000000 0.0094340), wk = 0.0031949 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 220) = ( 0.0000000 0.0131579 0.0131579), wk = 0.0031949 k( 221) = ( 0.0000000 0.0263158 0.0263158), wk = 0.0031949 k( 222) = ( 0.0000000 0.0394737 0.0394737), wk = 0.0031949 k( 223) = ( 0.0000000 0.0526316 0.0526316), wk = 0.0031949 k( 224) = ( 0.0000000 0.0657895 0.0657895), wk = 0.0031949 k( 225) = ( 0.0000000 0.0789474 0.0789474), wk = 0.0031949 k( 226) = ( 0.0000000 0.0921053 0.0921053), wk = 0.0031949 k( 227) = ( 0.0000000 0.1052632 0.1052632), wk = 0.0031949 k( 228) = ( 0.0000000 0.1184211 0.1184211), wk = 0.0031949 k( 229) = ( 0.0000000 0.1315790 0.1315790), wk = 0.0031949 k( 230) = ( 0.0000000 0.1447368 0.1447368), wk = 0.0031949 k( 231) = ( 0.0000000 0.1578947 0.1578947), wk = 0.0031949 k( 232) = ( 0.0000000 0.1710526 0.1710526), wk = 0.0031949 k( 233) = ( 0.0000000 0.1842105 0.1842105), wk = 0.0031949 k( 234) = ( 0.0000000 0.1973684 0.1973684), wk = 0.0031949 k( 235) = ( 0.0000000 0.2105263 0.2105263), wk = 0.0031949 k( 236) = ( 0.0000000 0.2236842 0.2236842), wk = 0.0031949 k( 237) = ( 0.0000000 0.2368421 0.2368421), wk = 0.0031949 k( 238) = ( 0.0000000 0.2500000 0.2500000), wk = 0.0031949 k( 239) = ( 0.0000000 0.2631579 0.2631579), wk = 0.0031949 k( 240) = ( 0.0000000 0.2763158 0.2763158), wk = 0.0031949 k( 241) = ( 0.0000000 0.2894737 0.2894737), wk = 0.0031949 k( 242) = ( 0.0000000 0.3026316 0.3026316), wk = 0.0031949 k( 243) = ( 0.0000000 0.3157895 0.3157895), wk = 0.0031949 k( 244) = ( 0.0000000 0.3289474 0.3289474), wk = 0.0031949 k( 245) = ( 0.0000000 0.3421053 0.3421053), wk = 0.0031949 k( 246) = ( 0.0000000 0.3552632 0.3552632), wk = 0.0031949 k( 247) = ( 0.0000000 0.3684211 0.3684211), wk = 0.0031949 k( 248) = ( 0.0000000 0.3815789 0.3815790), wk = 0.0031949 k( 249) = ( 0.0000000 0.3947368 0.3947368), wk = 0.0031949 k( 250) = ( 0.0000000 0.4078947 0.4078947), wk = 0.0031949 k( 251) = ( 0.0000000 0.4210526 0.4210526), wk = 0.0031949 k( 252) = ( 0.0000000 0.4342105 0.4342105), wk = 0.0031949 k( 253) = ( 0.0000000 0.4473684 0.4473684), wk = 0.0031949 k( 254) = ( 0.0000000 0.4605263 0.4605263), wk = 0.0031949 k( 255) = ( 0.0000000 0.4736842 0.4736842), wk = 0.0031949 k( 256) = ( 0.0000000 0.4868421 0.4868421), wk = 0.0031949 k( 257) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031949 k( 258) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 259) = ( 0.4909091 0.4909091 0.4909091), wk = 0.0031949 k( 260) = ( 0.4818182 0.4818182 0.4818182), wk = 0.0031949 k( 261) = ( 0.4727273 0.4727273 0.4727273), wk = 0.0031949 k( 262) = ( 0.4636364 0.4636364 0.4636364), wk = 0.0031949 k( 263) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0031949 k( 264) = ( 0.4454546 0.4454546 0.4454546), wk = 0.0031949 k( 265) = ( 0.4363636 0.4363636 0.4363636), wk = 0.0031949 k( 266) = ( 0.4272727 0.4272727 0.4272727), wk = 0.0031949 k( 267) = ( 0.4181818 0.4181818 0.4181818), wk = 0.0031949 k( 268) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0031949 k( 269) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031949 k( 270) = ( 0.3909091 0.3909091 0.3909091), wk = 0.0031949 k( 271) = ( 0.3818182 0.3818182 0.3818182), wk = 0.0031949 k( 272) = ( 0.3727273 0.3727273 0.3727273), wk = 0.0031949 k( 273) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0031949 k( 274) = ( 0.3545454 0.3545455 0.3545455), wk = 0.0031949 k( 275) = ( 0.3454546 0.3454546 0.3454546), wk = 0.0031949 k( 276) = ( 0.3363636 0.3363636 0.3363636), wk = 0.0031949 k( 277) = ( 0.3272727 0.3272727 0.3272727), wk = 0.0031949 k( 278) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0031949 k( 279) = ( 0.3090909 0.3090909 0.3090909), wk = 0.0031949 k( 280) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031949 k( 281) = ( 0.2909091 0.2909091 0.2909091), wk = 0.0031949 k( 282) = ( 0.2818182 0.2818182 0.2818182), wk = 0.0031949 k( 283) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0031949 k( 284) = ( 0.2636364 0.2636364 0.2636364), wk = 0.0031949 k( 285) = ( 0.2545455 0.2545455 0.2545455), wk = 0.0031949 k( 286) = ( 0.2454545 0.2454546 0.2454546), wk = 0.0031949 k( 287) = ( 0.2363636 0.2363636 0.2363636), wk = 0.0031949 k( 288) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0031949 k( 289) = ( 0.2181818 0.2181818 0.2181818), wk = 0.0031949 k( 290) = ( 0.2090909 0.2090909 0.2090909), wk = 0.0031949 k( 291) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031949 k( 292) = ( 0.1909091 0.1909091 0.1909091), wk = 0.0031949 k( 293) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0031949 k( 294) = ( 0.1727273 0.1727273 0.1727273), wk = 0.0031949 k( 295) = ( 0.1636364 0.1636364 0.1636364), wk = 0.0031949 k( 296) = ( 0.1545455 0.1545455 0.1545455), wk = 0.0031949 k( 297) = ( 0.1454545 0.1454546 0.1454546), wk = 0.0031949 k( 298) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0031949 k( 299) = ( 0.1272727 0.1272727 0.1272727), wk = 0.0031949 k( 300) = ( 0.1181818 0.1181818 0.1181818), wk = 0.0031949 k( 301) = ( 0.1090909 0.1090909 0.1090909), wk = 0.0031949 k( 302) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031949 k( 303) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0031949 k( 304) = ( 0.0818182 0.0818182 0.0818182), wk = 0.0031949 k( 305) = ( 0.0727273 0.0727273 0.0727273), wk = 0.0031949 k( 306) = ( 0.0636364 0.0636364 0.0636364), wk = 0.0031949 k( 307) = ( 0.0545455 0.0545455 0.0545455), wk = 0.0031949 k( 308) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0031949 k( 309) = ( 0.0363636 0.0363636 0.0363636), wk = 0.0031949 k( 310) = ( 0.0272727 0.0272727 0.0272727), wk = 0.0031949 k( 311) = ( 0.0181818 0.0181818 0.0181818), wk = 0.0031949 k( 312) = ( 0.0090909 0.0090909 0.0090909), wk = 0.0031949 k( 313) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 Dense grid: 97567 G-vectors FFT dimensions: ( 45, 64, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.54 Mb ( 686, 52) NL pseudopotentials 0.62 Mb ( 343, 118) Each V/rho on FFT grid 0.13 Mb ( 8640) Each G-vector array 0.02 Mb ( 2711) G-vector shells 0.02 Mb ( 2640) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.18 Mb ( 686, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.19 Mb ( 118, 2, 52) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./LiH3C2O5.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.5 secs Computing kpt #: 7 total cpu time spent up to now is 8.5 secs Computing kpt #: 8 total cpu time spent up to now is 9.6 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 11.7 secs Computing kpt #: 11 total cpu time spent up to now is 12.7 secs Computing kpt #: 12 total cpu time spent up to now is 13.7 secs Computing kpt #: 13 total cpu time spent up to now is 14.7 secs Computing kpt #: 14 total cpu time spent up to now is 15.8 secs Computing kpt #: 15 total cpu time spent up to now is 16.9 secs Computing kpt #: 16 total cpu time spent up to now is 17.9 secs Computing kpt #: 17 total cpu time spent up to now is 18.9 secs Computing kpt #: 18 total cpu time spent up to now is 20.0 secs Computing kpt #: 19 total cpu time spent up to now is 21.1 secs Computing kpt #: 20 total cpu time spent up to now is 22.1 secs Computing kpt #: 21 total cpu time spent up to now is 23.1 secs Computing kpt #: 22 total cpu time spent up to now is 24.2 secs Computing kpt #: 23 total cpu time spent up to now is 25.2 secs Computing kpt #: 24 total cpu time spent up to now is 26.2 secs Computing kpt #: 25 total cpu time spent up to now is 27.4 secs Computing kpt #: 26 total cpu time spent up to now is 28.3 secs Computing kpt #: 27 total cpu time spent up to now is 29.4 secs Computing kpt #: 28 total cpu time spent up to now is 30.3 secs Computing kpt #: 29 total cpu time spent up to now is 31.3 secs Computing kpt #: 30 total cpu time spent up to now is 32.3 secs Computing kpt #: 31 total cpu time spent up to now is 33.2 secs Computing kpt #: 32 total cpu time spent up to now is 34.2 secs Computing kpt #: 33 total cpu time spent up to now is 35.3 secs Computing kpt #: 34 total cpu time spent up to now is 36.2 secs Computing kpt #: 35 total cpu time spent up to now is 37.2 secs Computing kpt #: 36 total cpu time spent up to now is 38.3 secs Computing kpt #: 37 total cpu time spent up to now is 39.2 secs Computing kpt #: 38 total cpu time spent up to now is 40.2 secs Computing kpt #: 39 total cpu time spent up to now is 41.2 secs Computing kpt #: 40 total cpu time spent up to now is 42.4 secs Computing kpt #: 41 total cpu time spent up to now is 43.5 secs Computing kpt #: 42 total cpu time spent up to now is 44.6 secs Computing kpt #: 43 total cpu time spent up to now is 46.2 secs Computing kpt #: 44 total cpu time spent up to now is 47.2 secs Computing kpt #: 45 total cpu time spent up to now is 48.3 secs Computing kpt #: 46 total cpu time spent up to now is 49.4 secs Computing kpt #: 47 total cpu time spent up to now is 50.5 secs Computing kpt #: 48 total cpu time spent up to now is 51.5 secs Computing kpt #: 49 total cpu time spent up to now is 52.6 secs Computing kpt #: 50 total cpu time spent up to now is 53.7 secs Computing kpt #: 51 total cpu time spent up to now is 54.9 secs Computing kpt #: 52 total cpu time spent up to now is 55.8 secs Computing kpt #: 53 total cpu time spent up to now is 56.9 secs Computing kpt #: 54 total cpu time spent up to now is 58.1 secs Computing kpt #: 55 total cpu time spent up to now is 59.3 secs Computing kpt #: 56 total cpu time spent up to now is 60.3 secs Computing kpt #: 57 total cpu time spent up to now is 61.4 secs Computing kpt #: 58 total cpu time spent up to now is 62.5 secs Computing kpt #: 59 total cpu time spent up to now is 63.5 secs Computing kpt #: 60 total cpu time spent up to now is 64.6 secs Computing kpt #: 61 total cpu time spent up to now is 65.7 secs Computing kpt #: 62 total cpu time spent up to now is 66.6 secs Computing kpt #: 63 total cpu time spent up to now is 67.6 secs Computing kpt #: 64 total cpu time spent up to now is 68.6 secs Computing kpt #: 65 total cpu time spent up to now is 69.5 secs Computing kpt #: 66 total cpu time spent up to now is 70.5 secs Computing kpt #: 67 total cpu time spent up to now is 71.3 secs Computing kpt #: 68 total cpu time spent up to now is 72.2 secs Computing kpt #: 69 total cpu time spent up to now is 73.1 secs Computing kpt #: 70 total cpu time spent up to now is 74.0 secs Computing kpt #: 71 total cpu time spent up to now is 74.9 secs Computing kpt #: 72 total cpu time spent up to now is 75.8 secs Computing kpt #: 73 total cpu time spent up to now is 76.7 secs Computing kpt #: 74 total cpu time spent up to now is 77.6 secs Computing kpt #: 75 total cpu time spent up to now is 78.5 secs Computing kpt #: 76 total cpu time spent up to now is 79.3 secs Computing kpt #: 77 total cpu time spent up to now is 80.2 secs Computing kpt #: 78 total cpu time spent up to now is 81.1 secs Computing kpt #: 79 total cpu time spent up to now is 82.0 secs Computing kpt #: 80 total cpu time spent up to now is 82.9 secs Computing kpt #: 81 total cpu time spent up to now is 83.7 secs Computing kpt #: 82 total cpu time spent up to now is 84.6 secs Computing kpt #: 83 total cpu time spent up to now is 85.7 secs Computing kpt #: 84 total cpu time spent up to now is 86.8 secs Computing kpt #: 85 total cpu time spent up to now is 87.9 secs Computing kpt #: 86 total cpu time spent up to now is 89.0 secs Computing kpt #: 87 total cpu time spent up to now is 90.1 secs Computing kpt #: 88 total cpu time spent up to now is 91.2 secs Computing kpt #: 89 total cpu time spent up to now is 92.2 secs Computing kpt #: 90 total cpu time spent up to now is 93.3 secs Computing kpt #: 91 total cpu time spent up to now is 94.4 secs Computing kpt #: 92 total cpu time spent up to now is 95.4 secs Computing kpt #: 93 total cpu time spent up to now is 96.5 secs Computing kpt #: 94 total cpu time spent up to now is 97.5 secs Computing kpt #: 95 total cpu time spent up to now is 98.4 secs Computing kpt #: 96 total cpu time spent up to now is 99.5 secs Computing kpt #: 97 total cpu time spent up to now is 100.5 secs Computing kpt #: 98 total cpu time spent up to now is 101.4 secs Computing kpt #: 99 total cpu time spent up to now is 102.3 secs Computing kpt #: 100 total cpu time spent up to now is 103.3 secs Computing kpt #: 101 total cpu time spent up to now is 104.3 secs Computing kpt #: 102 total cpu time spent up to now is 105.3 secs Computing kpt #: 103 total cpu time spent up to now is 106.3 secs Computing kpt #: 104 total cpu time spent up to now is 107.2 secs Computing kpt #: 105 total cpu time spent up to now is 108.2 secs Computing kpt #: 106 total cpu time spent up to now is 109.3 secs Computing kpt #: 107 total cpu time spent up to now is 110.2 secs Computing kpt #: 108 total cpu time spent up to now is 111.3 secs Computing kpt #: 109 total cpu time spent up to now is 112.2 secs Computing kpt #: 110 total cpu time spent up to now is 113.3 secs Computing kpt #: 111 total cpu time spent up to now is 114.3 secs Computing kpt #: 112 total cpu time spent up to now is 115.2 secs Computing kpt #: 113 total cpu time spent up to now is 116.3 secs Computing kpt #: 114 total cpu time spent up to now is 117.3 secs Computing kpt #: 115 total cpu time spent up to now is 118.3 secs Computing kpt #: 116 total cpu time spent up to now is 119.4 secs Computing kpt #: 117 total cpu time spent up to now is 120.3 secs Computing kpt #: 118 total cpu time spent up to now is 121.3 secs Computing kpt #: 119 total cpu time spent up to now is 122.4 secs Computing kpt #: 120 total cpu time spent up to now is 123.5 secs Computing kpt #: 121 total cpu time spent up to now is 124.5 secs Computing kpt #: 122 total cpu time spent up to now is 125.5 secs Computing kpt #: 123 total cpu time spent up to now is 126.6 secs Computing kpt #: 124 total cpu time spent up to now is 127.8 secs Computing kpt #: 125 total cpu time spent up to now is 128.8 secs Computing kpt #: 126 total cpu time spent up to now is 129.9 secs Computing kpt #: 127 total cpu time spent up to now is 130.9 secs Computing kpt #: 128 total cpu time spent up to now is 132.0 secs Computing kpt #: 129 total cpu time spent up to now is 133.3 secs Computing kpt #: 130 total cpu time spent up to now is 134.4 secs Computing kpt #: 131 total cpu time spent up to now is 135.5 secs Computing kpt #: 132 total cpu time spent up to now is 136.6 secs Computing kpt #: 133 total cpu time spent up to now is 137.8 secs Computing kpt #: 134 total cpu time spent up to now is 138.9 secs Computing kpt #: 135 total cpu time spent up to now is 140.0 secs Computing kpt #: 136 total cpu time spent up to now is 141.1 secs Computing kpt #: 137 total cpu time spent up to now is 142.2 secs Computing kpt #: 138 total cpu time spent up to now is 143.3 secs Computing kpt #: 139 total cpu time spent up to now is 144.3 secs Computing kpt #: 140 total cpu time spent up to now is 145.3 secs Computing kpt #: 141 total cpu time spent up to now is 146.2 secs Computing kpt #: 142 total cpu time spent up to now is 147.1 secs Computing kpt #: 143 total cpu time spent up to now is 148.0 secs Computing kpt #: 144 total cpu time spent up to now is 148.9 secs Computing kpt #: 145 total cpu time spent up to now is 149.8 secs Computing kpt #: 146 total cpu time spent up to now is 150.7 secs Computing kpt #: 147 total cpu time spent up to now is 151.6 secs Computing kpt #: 148 total cpu time spent up to now is 152.5 secs Computing kpt #: 149 total cpu time spent up to now is 153.3 secs Computing kpt #: 150 total cpu time spent up to now is 154.2 secs Computing kpt #: 151 total cpu time spent up to now is 155.0 secs Computing kpt #: 152 total cpu time spent up to now is 155.9 secs Computing kpt #: 153 total cpu time spent up to now is 156.7 secs Computing kpt #: 154 total cpu time spent up to now is 157.6 secs Computing kpt #: 155 total cpu time spent up to now is 158.4 secs Computing kpt #: 156 total cpu time spent up to now is 159.2 secs Computing kpt #: 157 total cpu time spent up to now is 160.1 secs Computing kpt #: 158 total cpu time spent up to now is 160.9 secs Computing kpt #: 159 total cpu time spent up to now is 161.7 secs Computing kpt #: 160 total cpu time spent up to now is 162.6 secs Computing kpt #: 161 total cpu time spent up to now is 163.4 secs Computing kpt #: 162 total cpu time spent up to now is 164.2 secs Computing kpt #: 163 total cpu time spent up to now is 165.1 secs Computing kpt #: 164 total cpu time spent up to now is 165.9 secs Computing kpt #: 165 total cpu time spent up to now is 166.9 secs Computing kpt #: 166 total cpu time spent up to now is 168.0 secs Computing kpt #: 167 total cpu time spent up to now is 169.0 secs Computing kpt #: 168 total cpu time spent up to now is 169.9 secs Computing kpt #: 169 total cpu time spent up to now is 170.9 secs Computing kpt #: 170 total cpu time spent up to now is 171.8 secs Computing kpt #: 171 total cpu time spent up to now is 172.8 secs Computing kpt #: 172 total cpu time spent up to now is 173.7 secs Computing kpt #: 173 total cpu time spent up to now is 174.6 secs Computing kpt #: 174 total cpu time spent up to now is 175.6 secs Computing kpt #: 175 total cpu time spent up to now is 176.5 secs Computing kpt #: 176 total cpu time spent up to now is 177.4 secs Computing kpt #: 177 total cpu time spent up to now is 178.3 secs Computing kpt #: 178 total cpu time spent up to now is 179.2 secs Computing kpt #: 179 total cpu time spent up to now is 180.2 secs Computing kpt #: 180 total cpu time spent up to now is 181.1 secs Computing kpt #: 181 total cpu time spent up to now is 182.0 secs Computing kpt #: 182 total cpu time spent up to now is 182.9 secs Computing kpt #: 183 total cpu time spent up to now is 183.8 secs Computing kpt #: 184 total cpu time spent up to now is 184.8 secs Computing kpt #: 185 total cpu time spent up to now is 185.6 secs Computing kpt #: 186 total cpu time spent up to now is 186.6 secs Computing kpt #: 187 total cpu time spent up to now is 187.4 secs Computing kpt #: 188 total cpu time spent up to now is 188.3 secs Computing kpt #: 189 total cpu time spent up to now is 189.2 secs Computing kpt #: 190 total cpu time spent up to now is 190.1 secs Computing kpt #: 191 total cpu time spent up to now is 191.0 secs Computing kpt #: 192 total cpu time spent up to now is 192.0 secs Computing kpt #: 193 total cpu time spent up to now is 192.8 secs Computing kpt #: 194 total cpu time spent up to now is 193.7 secs Computing kpt #: 195 total cpu time spent up to now is 194.6 secs Computing kpt #: 196 total cpu time spent up to now is 195.5 secs Computing kpt #: 197 total cpu time spent up to now is 196.4 secs Computing kpt #: 198 total cpu time spent up to now is 197.2 secs Computing kpt #: 199 total cpu time spent up to now is 198.2 secs Computing kpt #: 200 total cpu time spent up to now is 199.0 secs Computing kpt #: 201 total cpu time spent up to now is 200.1 secs Computing kpt #: 202 total cpu time spent up to now is 201.3 secs Computing kpt #: 203 total cpu time spent up to now is 202.3 secs Computing kpt #: 204 total cpu time spent up to now is 203.2 secs Computing kpt #: 205 total cpu time spent up to now is 204.1 secs Computing kpt #: 206 total cpu time spent up to now is 205.1 secs Computing kpt #: 207 total cpu time spent up to now is 206.0 secs Computing kpt #: 208 total cpu time spent up to now is 206.9 secs Computing kpt #: 209 total cpu time spent up to now is 207.9 secs Computing kpt #: 210 total cpu time spent up to now is 208.8 secs Computing kpt #: 211 total cpu time spent up to now is 209.9 secs Computing kpt #: 212 total cpu time spent up to now is 210.9 secs Computing kpt #: 213 total cpu time spent up to now is 212.7 secs Computing kpt #: 214 total cpu time spent up to now is 213.8 secs Computing kpt #: 215 total cpu time spent up to now is 214.9 secs Computing kpt #: 216 total cpu time spent up to now is 216.0 secs Computing kpt #: 217 total cpu time spent up to now is 217.1 secs Computing kpt #: 218 total cpu time spent up to now is 218.3 secs Computing kpt #: 219 total cpu time spent up to now is 220.0 secs Computing kpt #: 220 total cpu time spent up to now is 221.0 secs Computing kpt #: 221 total cpu time spent up to now is 222.0 secs Computing kpt #: 222 total cpu time spent up to now is 223.0 secs Computing kpt #: 223 total cpu time spent up to now is 224.0 secs Computing kpt #: 224 total cpu time spent up to now is 225.0 secs Computing kpt #: 225 total cpu time spent up to now is 225.9 secs Computing kpt #: 226 total cpu time spent up to now is 226.8 secs Computing kpt #: 227 total cpu time spent up to now is 227.7 secs Computing kpt #: 228 total cpu time spent up to now is 228.6 secs Computing kpt #: 229 total cpu time spent up to now is 229.6 secs Computing kpt #: 230 total cpu time spent up to now is 230.4 secs Computing kpt #: 231 total cpu time spent up to now is 231.3 secs Computing kpt #: 232 total cpu time spent up to now is 232.2 secs Computing kpt #: 233 total cpu time spent up to now is 233.1 secs Computing kpt #: 234 total cpu time spent up to now is 234.0 secs Computing kpt #: 235 total cpu time spent up to now is 234.9 secs Computing kpt #: 236 total cpu time spent up to now is 235.8 secs Computing kpt #: 237 total cpu time spent up to now is 236.7 secs Computing kpt #: 238 total cpu time spent up to now is 237.6 secs Computing kpt #: 239 total cpu time spent up to now is 238.5 secs Computing kpt #: 240 total cpu time spent up to now is 239.4 secs Computing kpt #: 241 total cpu time spent up to now is 240.3 secs Computing kpt #: 242 total cpu time spent up to now is 241.2 secs Computing kpt #: 243 total cpu time spent up to now is 242.1 secs Computing kpt #: 244 total cpu time spent up to now is 243.0 secs Computing kpt #: 245 total cpu time spent up to now is 244.0 secs Computing kpt #: 246 total cpu time spent up to now is 245.1 secs Computing kpt #: 247 total cpu time spent up to now is 246.4 secs Computing kpt #: 248 total cpu time spent up to now is 247.5 secs Computing kpt #: 249 total cpu time spent up to now is 248.5 secs Computing kpt #: 250 total cpu time spent up to now is 249.5 secs Computing kpt #: 251 total cpu time spent up to now is 250.5 secs Computing kpt #: 252 total cpu time spent up to now is 251.4 secs Computing kpt #: 253 total cpu time spent up to now is 252.3 secs Computing kpt #: 254 total cpu time spent up to now is 253.1 secs Computing kpt #: 255 total cpu time spent up to now is 254.0 secs Computing kpt #: 256 total cpu time spent up to now is 254.9 secs Computing kpt #: 257 total cpu time spent up to now is 255.8 secs Computing kpt #: 258 total cpu time spent up to now is 256.8 secs Computing kpt #: 259 total cpu time spent up to now is 257.7 secs Computing kpt #: 260 total cpu time spent up to now is 258.7 secs Computing kpt #: 261 total cpu time spent up to now is 259.7 secs Computing kpt #: 262 total cpu time spent up to now is 260.7 secs Computing kpt #: 263 total cpu time spent up to now is 261.6 secs Computing kpt #: 264 total cpu time spent up to now is 262.5 secs Computing kpt #: 265 total cpu time spent up to now is 263.5 secs Computing kpt #: 266 total cpu time spent up to now is 264.4 secs Computing kpt #: 267 total cpu time spent up to now is 265.3 secs Computing kpt #: 268 total cpu time spent up to now is 266.2 secs Computing kpt #: 269 total cpu time spent up to now is 267.2 secs Computing kpt #: 270 total cpu time spent up to now is 268.2 secs Computing kpt #: 271 total cpu time spent up to now is 269.2 secs Computing kpt #: 272 total cpu time spent up to now is 270.1 secs Computing kpt #: 273 total cpu time spent up to now is 271.2 secs Computing kpt #: 274 total cpu time spent up to now is 272.2 secs Computing kpt #: 275 total cpu time spent up to now is 273.2 secs Computing kpt #: 276 total cpu time spent up to now is 274.1 secs Computing kpt #: 277 total cpu time spent up to now is 275.2 secs Computing kpt #: 278 total cpu time spent up to now is 276.2 secs Computing kpt #: 279 total cpu time spent up to now is 277.2 secs Computing kpt #: 280 total cpu time spent up to now is 278.3 secs Computing kpt #: 281 total cpu time spent up to now is 279.3 secs Computing kpt #: 282 total cpu time spent up to now is 280.4 secs Computing kpt #: 283 total cpu time spent up to now is 281.4 secs Computing kpt #: 284 total cpu time spent up to now is 282.4 secs Computing kpt #: 285 total cpu time spent up to now is 283.4 secs Computing kpt #: 286 total cpu time spent up to now is 284.5 secs Computing kpt #: 287 total cpu time spent up to now is 285.4 secs Computing kpt #: 288 total cpu time spent up to now is 286.5 secs Computing kpt #: 289 total cpu time spent up to now is 287.5 secs Computing kpt #: 290 total cpu time spent up to now is 288.5 secs Computing kpt #: 291 total cpu time spent up to now is 289.5 secs Computing kpt #: 292 total cpu time spent up to now is 290.5 secs Computing kpt #: 293 total cpu time spent up to now is 291.5 secs Computing kpt #: 294 total cpu time spent up to now is 292.5 secs Computing kpt #: 295 total cpu time spent up to now is 293.5 secs Computing kpt #: 296 total cpu time spent up to now is 294.4 secs Computing kpt #: 297 total cpu time spent up to now is 295.3 secs Computing kpt #: 298 total cpu time spent up to now is 296.4 secs Computing kpt #: 299 total cpu time spent up to now is 297.4 secs Computing kpt #: 300 total cpu time spent up to now is 298.3 secs Computing kpt #: 301 total cpu time spent up to now is 299.2 secs Computing kpt #: 302 total cpu time spent up to now is 300.2 secs Computing kpt #: 303 total cpu time spent up to now is 301.1 secs Computing kpt #: 304 total cpu time spent up to now is 302.0 secs Computing kpt #: 305 total cpu time spent up to now is 303.0 secs Computing kpt #: 306 total cpu time spent up to now is 304.1 secs Computing kpt #: 307 total cpu time spent up to now is 305.1 secs Computing kpt #: 308 total cpu time spent up to now is 306.2 secs Computing kpt #: 309 total cpu time spent up to now is 307.2 secs Computing kpt #: 310 total cpu time spent up to now is 308.3 secs Computing kpt #: 311 total cpu time spent up to now is 309.4 secs Computing kpt #: 312 total cpu time spent up to now is 310.4 secs Computing kpt #: 313 total cpu time spent up to now is 311.5 secs ethr = 2.27E-08, avg # of iterations = 21.7 total cpu time spent up to now is 311.5 secs End of band structure calculation k = 0.5000-0.0786-0.0301 ( 12202 PWs) bands (ev): -41.7213 -41.7213 -21.6806 -21.6806 -20.2143 -20.2143 -19.5273 -19.5273 -19.0030 -19.0030 -17.1760 -17.1760 -10.3836 -10.3836 -7.6604 -7.6604 -7.5805 -7.5805 -5.5048 -5.5048 -5.2273 -5.2273 -4.7516 -4.7516 -3.6956 -3.6956 -3.4575 -3.4575 -3.3184 -3.3184 -2.9626 -2.9626 -1.7168 -1.7168 -1.2651 -1.2651 -0.7108 -0.7108 0.1355 0.1355 0.9605 0.9605 1.1844 1.1844 5.0408 5.0408 8.5256 8.5256 10.1200 10.1200 11.1143 11.1143 k = 0.4894-0.0769-0.0294 ( 12196 PWs) bands (ev): -41.7213 -41.7213 -21.6808 -21.6808 -20.2143 -20.2143 -19.5272 -19.5272 -19.0031 -19.0031 -17.1761 -17.1761 -10.3841 -10.3841 -7.6601 -7.6600 -7.5799 -7.5799 -5.5050 -5.5048 -5.2262 -5.2260 -4.7517 -4.7516 -3.6959 -3.6955 -3.4570 -3.4567 -3.3182 -3.3182 -2.9627 -2.9626 -1.7161 -1.7161 -1.2649 -1.2648 -0.7107 -0.7105 0.1358 0.1359 0.9601 0.9603 1.1838 1.1839 5.0405 5.0405 8.5254 8.5254 10.1126 10.1127 11.1186 11.1188 k = 0.4787-0.0752-0.0288 ( 12199 PWs) bands (ev): -41.7213 -41.7213 -21.6815 -21.6815 -20.2144 -20.2144 -19.5269 -19.5269 -19.0033 -19.0033 -17.1764 -17.1764 -10.3857 -10.3857 -7.6591 -7.6590 -7.5782 -7.5781 -5.5053 -5.5049 -5.2227 -5.2224 -4.7519 -4.7517 -3.6964 -3.6957 -3.4553 -3.4546 -3.3176 -3.3175 -2.9629 -2.9626 -1.7140 -1.7140 -1.2643 -1.2640 -0.7102 -0.7099 0.1365 0.1368 0.9592 0.9596 1.1820 1.1821 5.0397 5.0397 8.5248 8.5248 10.0912 10.0914 11.1311 11.1315 k = 0.4681-0.0736-0.0282 ( 12194 PWs) bands (ev): -41.7213 -41.7213 -21.6825 -21.6825 -20.2145 -20.2145 -19.5264 -19.5264 -19.0038 -19.0038 -17.1769 -17.1769 -10.3884 -10.3883 -7.6577 -7.6576 -7.5751 -7.5750 -5.5057 -5.5052 -5.2170 -5.2165 -4.7521 -4.7519 -3.6971 -3.6962 -3.4523 -3.4514 -3.3165 -3.3164 -2.9632 -2.9628 -1.7105 -1.7105 -1.2633 -1.2628 -0.7095 -0.7090 0.1378 0.1383 0.9578 0.9583 1.1790 1.1791 5.0383 5.0384 8.5238 8.5239 10.0572 10.0575 11.1498 11.1504 k = 0.4574-0.0719-0.0275 ( 12191 PWs) bands (ev): -41.7213 -41.7213 -21.6840 -21.6840 -20.2146 -20.2146 -19.5257 -19.5257 -19.0044 -19.0044 -17.1776 -17.1776 -10.3921 -10.3920 -7.6560 -7.6558 -7.5706 -7.5704 -5.5062 -5.5056 -5.2089 -5.2083 -4.7524 -4.7521 -3.6981 -3.6968 -3.4482 -3.4470 -3.3149 -3.3148 -2.9636 -2.9630 -1.7056 -1.7056 -1.2617 -1.2612 -0.7084 -0.7077 0.1397 0.1403 0.9558 0.9565 1.1748 1.1750 5.0363 5.0364 8.5225 8.5225 10.0126 10.0129 11.1722 11.1729 k = 0.4468-0.0702-0.0269 ( 12190 PWs) bands (ev): -41.7213 -41.7213 -21.6859 -21.6859 -20.2147 -20.2147 -19.5249 -19.5248 -19.0052 -19.0052 -17.1785 -17.1785 -10.3967 -10.3967 -7.6542 -7.6540 -7.5644 -7.5642 -5.5067 -5.5060 -5.1987 -5.1979 -4.7529 -4.7525 -3.6993 -3.6977 -3.4430 -3.4416 -3.3128 -3.3127 -2.9641 -2.9633 -1.6994 -1.6993 -1.2598 -1.2591 -0.7069 -0.7062 0.1421 0.1428 0.9532 0.9541 1.1695 1.1698 5.0338 5.0339 8.5207 8.5207 9.9593 9.9596 11.1952 11.1961 k = 0.4362-0.0685-0.0262 ( 12189 PWs) bands (ev): -41.7214 -41.7214 -21.6882 -21.6882 -20.2148 -20.2148 -19.5238 -19.5238 -19.0062 -19.0062 -17.1796 -17.1796 -10.4024 -10.4023 -7.6525 -7.6523 -7.5564 -7.5562 -5.5072 -5.5064 -5.1863 -5.1854 -4.7533 -4.7529 -3.7007 -3.6989 -3.4367 -3.4352 -3.3101 -3.3100 -2.9646 -2.9637 -1.6917 -1.6916 -1.2574 -1.2566 -0.7052 -0.7042 0.1450 0.1459 0.9500 0.9511 1.1632 1.1636 5.0307 5.0308 8.5185 8.5186 9.8992 9.8995 11.2162 11.2173 k = 0.4255-0.0669-0.0256 ( 12192 PWs) bands (ev): -41.7214 -41.7214 -21.6909 -21.6909 -20.2150 -20.2150 -19.5225 -19.5225 -19.0073 -19.0073 -17.1809 -17.1809 -10.4090 -10.4089 -7.6512 -7.6509 -7.5465 -7.5462 -5.5077 -5.5068 -5.1718 -5.1709 -4.7538 -4.7533 -3.7022 -3.7002 -3.4297 -3.4281 -3.3067 -3.3066 -2.9652 -2.9641 -1.6828 -1.6826 -1.2547 -1.2537 -0.7031 -0.7020 0.1484 0.1494 0.9461 0.9474 1.1559 1.1563 5.0270 5.0271 8.5159 8.5160 9.8338 9.8342 11.2331 11.2342 k = 0.4149-0.0652-0.0250 ( 12189 PWs) bands (ev): -41.7215 -41.7215 -21.6939 -21.6939 -20.2152 -20.2152 -19.5211 -19.5211 -19.0086 -19.0086 -17.1824 -17.1824 -10.4164 -10.4163 -7.6502 -7.6499 -7.5346 -7.5343 -5.5082 -5.5071 -5.1554 -5.1544 -4.7544 -4.7537 -3.7039 -3.7017 -3.4220 -3.4203 -3.3025 -3.3023 -2.9659 -2.9646 -1.6725 -1.6723 -1.2515 -1.2504 -0.7007 -0.6995 0.1523 0.1534 0.9416 0.9430 1.1477 1.1482 5.0227 5.0228 8.5129 8.5129 9.7644 9.7648 11.2447 11.2458 k = 0.4043-0.0635-0.0243 ( 12194 PWs) bands (ev): -41.7215 -41.7215 -21.6973 -21.6973 -20.2155 -20.2155 -19.5195 -19.5195 -19.0101 -19.0101 -17.1840 -17.1840 -10.4247 -10.4246 -7.6497 -7.6494 -7.5207 -7.5204 -5.5085 -5.5074 -5.1371 -5.1361 -4.7549 -4.7542 -3.7058 -3.7034 -3.4138 -3.4122 -3.2972 -3.2970 -2.9666 -2.9652 -1.6610 -1.6608 -1.2480 -1.2468 -0.6980 -0.6966 0.1566 0.1579 0.9363 0.9379 1.1387 1.1392 5.0177 5.0178 8.5093 8.5094 9.6920 9.6924 11.2505 11.2516 k = 0.3936-0.0618-0.0237 ( 12197 PWs) bands (ev): -41.7216 -41.7216 -21.7011 -21.7011 -20.2158 -20.2158 -19.5178 -19.5177 -19.0117 -19.0117 -17.1858 -17.1858 -10.4337 -10.4336 -7.6496 -7.6494 -7.5049 -7.5046 -5.5087 -5.5075 -5.1171 -5.1160 -4.7555 -4.7546 -3.7078 -3.7053 -3.4055 -3.4039 -3.2908 -3.2905 -2.9673 -2.9657 -1.6482 -1.6480 -1.2441 -1.2428 -0.6950 -0.6935 0.1614 0.1628 0.9301 0.9319 1.1291 1.1296 5.0121 5.0122 8.5054 8.5055 9.6174 9.6177 11.2509 11.2520 k = 0.3830-0.0602-0.0230 ( 12195 PWs) bands (ev): -41.7216 -41.7216 -21.7051 -21.7051 -20.2161 -20.2161 -19.5159 -19.5158 -19.0134 -19.0134 -17.1878 -17.1878 -10.4435 -10.4433 -7.6500 -7.6497 -7.4874 -7.4871 -5.5088 -5.5076 -5.0953 -5.0942 -4.7559 -4.7550 -3.7099 -3.7073 -3.3973 -3.3959 -3.2829 -3.2825 -2.9681 -2.9663 -1.6343 -1.6340 -1.2400 -1.2386 -0.6917 -0.6901 0.1665 0.1681 0.9232 0.9251 1.1189 1.1194 5.0058 5.0060 8.5009 8.5010 9.5412 9.5416 11.2466 11.2477 k = 0.3723-0.0585-0.0224 ( 12197 PWs) bands (ev): -41.7217 -41.7217 -21.7095 -21.7095 -20.2164 -20.2164 -19.5138 -19.5138 -19.0153 -19.0153 -17.1899 -17.1899 -10.4538 -10.4537 -7.6507 -7.6505 -7.4683 -7.4679 -5.5087 -5.5074 -5.0720 -5.0710 -4.7563 -4.7552 -3.7122 -3.7095 -3.3895 -3.3883 -3.2736 -3.2730 -2.9689 -2.9669 -1.6192 -1.6189 -1.2355 -1.2340 -0.6882 -0.6864 0.1720 0.1737 0.9152 0.9173 1.1082 1.1088 4.9989 4.9990 8.4958 8.4960 9.4639 9.4644 11.2385 11.2396 k = 0.3617-0.0568-0.0218 ( 12198 PWs) bands (ev): -41.7218 -41.7218 -21.7141 -21.7141 -20.2168 -20.2168 -19.5116 -19.5116 -19.0173 -19.0173 -17.1922 -17.1922 -10.4648 -10.4646 -7.6517 -7.6515 -7.4477 -7.4473 -5.5085 -5.5072 -5.0473 -5.0462 -4.7566 -4.7553 -3.7145 -3.7117 -3.3823 -3.3813 -3.2625 -3.2618 -2.9696 -2.9674 -1.6030 -1.6027 -1.2308 -1.2292 -0.6844 -0.6825 0.1777 0.1796 0.9062 0.9085 1.0974 1.0979 4.9913 4.9914 8.4902 8.4904 9.3862 9.3866 11.2274 11.2284 k = 0.3511-0.0552-0.0211 ( 12202 PWs) bands (ev): -41.7218 -41.7218 -21.7190 -21.7190 -20.2172 -20.2172 -19.5094 -19.5093 -19.0195 -19.0194 -17.1946 -17.1946 -10.4762 -10.4761 -7.6531 -7.6528 -7.4257 -7.4253 -5.5081 -5.5068 -5.0213 -5.0203 -4.7566 -4.7551 -3.7168 -3.7140 -3.3759 -3.3751 -3.2497 -3.2489 -2.9702 -2.9678 -1.5857 -1.5854 -1.2259 -1.2242 -0.6803 -0.6783 0.1838 0.1858 0.8962 0.8986 1.0864 1.0869 4.9829 4.9831 8.4839 8.4842 9.3082 9.3088 11.2139 11.2150 k = 0.3404-0.0535-0.0205 ( 12203 PWs) bands (ev): -41.7219 -41.7219 -21.7241 -21.7241 -20.2176 -20.2176 -19.5069 -19.5069 -19.0217 -19.0217 -17.1971 -17.1971 -10.4881 -10.4880 -7.6546 -7.6544 -7.4026 -7.4021 -5.5076 -5.5062 -4.9942 -4.9932 -4.7562 -4.7545 -3.7192 -3.7163 -3.3703 -3.3697 -3.2353 -3.2344 -2.9708 -2.9681 -1.5675 -1.5672 -1.2207 -1.2190 -0.6760 -0.6739 0.1901 0.1922 0.8849 0.8874 1.0754 1.0760 4.9739 4.9741 8.4769 8.4772 9.2306 9.2312 11.1987 11.1997 k = 0.3298-0.0518-0.0198 ( 12202 PWs) bands (ev): -41.7220 -41.7220 -21.7294 -21.7294 -20.2181 -20.2181 -19.5044 -19.5044 -19.0241 -19.0240 -17.1997 -17.1997 -10.5004 -10.5002 -7.6564 -7.6562 -7.3783 -7.3778 -5.5069 -5.5055 -4.9663 -4.9653 -4.7554 -4.7534 -3.7217 -3.7187 -3.3656 -3.3650 -3.2194 -3.2184 -2.9711 -2.9682 -1.5484 -1.5481 -1.2155 -1.2136 -0.6715 -0.6693 0.1965 0.1988 0.8725 0.8751 1.0646 1.0651 4.9642 4.9644 8.4690 8.4694 9.1535 9.1542 11.1822 11.1831 k = 0.3191-0.0501-0.0192 ( 12203 PWs) bands (ev): -41.7221 -41.7221 -21.7349 -21.7349 -20.2186 -20.2185 -19.5018 -19.5018 -19.0265 -19.0265 -17.2024 -17.2024 -10.5129 -10.5128 -7.6583 -7.6581 -7.3531 -7.3526 -5.5062 -5.5048 -4.9380 -4.9369 -4.7537 -4.7514 -3.7241 -3.7211 -3.3616 -3.3610 -3.2024 -3.2013 -2.9712 -2.9680 -1.5285 -1.5281 -1.2101 -1.2082 -0.6667 -0.6644 0.2031 0.2055 0.8588 0.8615 1.0541 1.0546 4.9538 4.9540 8.4600 8.4605 9.0775 9.0783 11.1647 11.1656 k = 0.3085-0.0485-0.0186 ( 12209 PWs) bands (ev): -41.7221 -41.7221 -21.7406 -21.7405 -20.2191 -20.2191 -19.4992 -19.4991 -19.0290 -19.0290 -17.2052 -17.2052 -10.5257 -10.5256 -7.6604 -7.6602 -7.3272 -7.3266 -5.5053 -5.5039 -4.9099 -4.9086 -4.7507 -4.7479 -3.7264 -3.7234 -3.3584 -3.3577 -3.1844 -3.1832 -2.9709 -2.9673 -1.5078 -1.5074 -1.2046 -1.2027 -0.6618 -0.6594 0.2098 0.2123 0.8439 0.8466 1.0439 1.0443 4.9427 4.9429 8.4499 8.4505 9.0030 9.0039 11.1465 11.1474 k = 0.2979-0.0468-0.0179 ( 12215 PWs) bands (ev): -41.7222 -41.7222 -21.7463 -21.7463 -20.2196 -20.2196 -19.4964 -19.4964 -19.0316 -19.0316 -17.2081 -17.2081 -10.5387 -10.5385 -7.6626 -7.6625 -7.3005 -7.2999 -5.5044 -5.5029 -4.8829 -4.8812 -4.7456 -4.7423 -3.7288 -3.7257 -3.3557 -3.3548 -3.1659 -3.1647 -2.9700 -2.9661 -1.4864 -1.4860 -1.1992 -1.1972 -0.6566 -0.6542 0.2165 0.2192 0.8279 0.8306 1.0341 1.0345 4.9310 4.9312 8.4381 8.4388 8.9305 8.9316 11.1280 11.1288 k = 0.2872-0.0451-0.0173 ( 12219 PWs) bands (ev): -41.7223 -41.7223 -21.7522 -21.7521 -20.2202 -20.2202 -19.4937 -19.4936 -19.0342 -19.0342 -17.2110 -17.2110 -10.5518 -10.5516 -7.6650 -7.6648 -7.2733 -7.2727 -5.5033 -5.5018 -4.8584 -4.8562 -4.7371 -4.7331 -3.7310 -3.7280 -3.3535 -3.3525 -3.1473 -3.1459 -2.9683 -2.9640 -1.4644 -1.4640 -1.1937 -1.1917 -0.6513 -0.6488 0.2232 0.2260 0.8107 0.8135 1.0247 1.0251 4.9187 4.9189 8.4242 8.4251 8.8607 8.8620 11.1092 11.1100 k = 0.2766-0.0435-0.0166 ( 12213 PWs) bands (ev): -41.7224 -41.7224 -21.7581 -21.7581 -20.2208 -20.2207 -19.4908 -19.4908 -19.0369 -19.0369 -17.2140 -17.2140 -10.5649 -10.5647 -7.6674 -7.6672 -7.2457 -7.2451 -5.5023 -5.5007 -4.8381 -4.8354 -4.7234 -4.7190 -3.7332 -3.7301 -3.3517 -3.3506 -3.1291 -3.1275 -2.9655 -2.9608 -1.4419 -1.4414 -1.1883 -1.1862 -0.6459 -0.6433 0.2298 0.2327 0.7925 0.7953 1.0157 1.0161 4.9057 4.9059 8.4075 8.4086 8.7946 8.7960 11.0904 11.0912 k = 0.2660-0.0418-0.0160 ( 12207 PWs) bands (ev): -41.7225 -41.7225 -21.7640 -21.7640 -20.2214 -20.2214 -19.4880 -19.4879 -19.0397 -19.0397 -17.2170 -17.2170 -10.5780 -10.5778 -7.6698 -7.6697 -7.2178 -7.2172 -5.5011 -5.4995 -4.8229 -4.8202 -4.7034 -4.6988 -3.7352 -3.7322 -3.3502 -3.3490 -3.1118 -3.1101 -2.9611 -2.9560 -1.4190 -1.4185 -1.1829 -1.1809 -0.6403 -0.6376 0.2362 0.2393 0.7735 0.7763 1.0071 1.0076 4.8922 4.8925 8.3871 8.3884 8.7332 8.7349 11.0717 11.0725 k = 0.2553-0.0401-0.0154 ( 12206 PWs) bands (ev): -41.7226 -41.7226 -21.7700 -21.7700 -20.2220 -20.2220 -19.4851 -19.4851 -19.0424 -19.0424 -17.2200 -17.2200 -10.5910 -10.5909 -7.6723 -7.6722 -7.1898 -7.1891 -5.4999 -5.4983 -4.8128 -4.8101 -4.6775 -4.6729 -3.7371 -3.7341 -3.3491 -3.3478 -3.0962 -3.0942 -2.9546 -2.9491 -1.3958 -1.3952 -1.1777 -1.1757 -0.6345 -0.6318 0.2425 0.2457 0.7537 0.7565 0.9989 0.9995 4.8783 4.8785 8.3619 8.3633 8.6779 8.6798 11.0532 11.0540 k = 0.2447-0.0384-0.0147 ( 12203 PWs) bands (ev): -41.7227 -41.7227 -21.7760 -21.7759 -20.2226 -20.2226 -19.4823 -19.4822 -19.0452 -19.0452 -17.2230 -17.2230 -10.6040 -10.6038 -7.6749 -7.6747 -7.1617 -7.1610 -5.4987 -5.4971 -4.8062 -4.8039 -4.6472 -4.6430 -3.7389 -3.7359 -3.3483 -3.3468 -3.0829 -3.0805 -2.9455 -2.9397 -1.3724 -1.3718 -1.1726 -1.1706 -0.6287 -0.6259 0.2486 0.2518 0.7334 0.7361 0.9910 0.9917 4.8639 4.8641 8.3307 8.3322 8.6300 8.6320 11.0351 11.0358 k = 0.2340-0.0368-0.0141 ( 12205 PWs) bands (ev): -41.7228 -41.7228 -21.7819 -21.7819 -20.2233 -20.2232 -19.4794 -19.4794 -19.0480 -19.0480 -17.2260 -17.2260 -10.6167 -10.6165 -7.6774 -7.6773 -7.1337 -7.1330 -5.4975 -5.4958 -4.8020 -4.8000 -4.6142 -4.6102 -3.7406 -3.7376 -3.3477 -3.3461 -3.0721 -3.0697 -2.9334 -2.9275 -1.3488 -1.3482 -1.1677 -1.1657 -0.6227 -0.6199 0.2543 0.2577 0.7126 0.7153 0.9835 0.9842 4.8491 4.8493 8.2931 8.2947 8.5901 8.5921 11.0174 11.0181 k = 0.2234-0.0351-0.0134 ( 12203 PWs) bands (ev): -41.7229 -41.7229 -21.7877 -21.7877 -20.2239 -20.2239 -19.4766 -19.4766 -19.0507 -19.0507 -17.2290 -17.2290 -10.6292 -10.6290 -7.6800 -7.6799 -7.1059 -7.1052 -5.4963 -5.4946 -4.7992 -4.7975 -4.5794 -4.5757 -3.7421 -3.7391 -3.3473 -3.3456 -3.0640 -3.0616 -2.9185 -2.9126 -1.3253 -1.3246 -1.1630 -1.1610 -0.6167 -0.6139 0.2597 0.2632 0.6916 0.6942 0.9763 0.9771 4.8341 4.8343 8.2497 8.2512 8.5580 8.5599 11.0003 11.0010 k = 0.2128-0.0334-0.0128 ( 12202 PWs) bands (ev): -41.7229 -41.7229 -21.7935 -21.7935 -20.2245 -20.2245 -19.4738 -19.4738 -19.0535 -19.0535 -17.2320 -17.2320 -10.6414 -10.6412 -7.6825 -7.6824 -7.0785 -7.0778 -5.4952 -5.4934 -4.7974 -4.7959 -4.5436 -4.5402 -3.7435 -3.7405 -3.3471 -3.3452 -3.0584 -3.0560 -2.9011 -2.8954 -1.3019 -1.3012 -1.1585 -1.1565 -0.6106 -0.6077 0.2647 0.2682 0.6705 0.6731 0.9693 0.9702 4.8189 4.8191 8.2017 8.2031 8.5324 8.5342 10.9837 10.9845 k = 0.2021-0.0318-0.0122 ( 12208 PWs) bands (ev): -41.7230 -41.7230 -21.7991 -21.7991 -20.2252 -20.2252 -19.4711 -19.4710 -19.0562 -19.0562 -17.2349 -17.2349 -10.6533 -10.6531 -7.6850 -7.6849 -7.0515 -7.0508 -5.4940 -5.4923 -4.7961 -4.7948 -4.5074 -4.5041 -3.7447 -3.7417 -3.3470 -3.3450 -3.0548 -3.0525 -2.8818 -2.8765 -1.2788 -1.2781 -1.1542 -1.1523 -0.6044 -0.6016 0.2692 0.2728 0.6494 0.6519 0.9627 0.9636 4.8036 4.8038 8.1508 8.1521 8.5118 8.5135 10.9679 10.9686 k = 0.1915-0.0301-0.0115 ( 12210 PWs) bands (ev): -41.7231 -41.7231 -21.8046 -21.8046 -20.2258 -20.2258 -19.4684 -19.4684 -19.0588 -19.0588 -17.2377 -17.2377 -10.6648 -10.6647 -7.6875 -7.6874 -7.0251 -7.0244 -5.4929 -5.4911 -4.7952 -4.7940 -4.4710 -4.4678 -3.7458 -3.7429 -3.3470 -3.3449 -3.0528 -3.0506 -2.8614 -2.8563 -1.2562 -1.2554 -1.1501 -1.1482 -0.5982 -0.5954 0.2732 0.2769 0.6286 0.6311 0.9562 0.9573 4.7883 4.7885 8.0985 8.0996 8.4950 8.4966 10.9528 10.9535 k = 0.1809-0.0284-0.0109 ( 12208 PWs) bands (ev): -41.7232 -41.7232 -21.8100 -21.8100 -20.2265 -20.2265 -19.4658 -19.4658 -19.0614 -19.0614 -17.2405 -17.2405 -10.6759 -10.6758 -7.6899 -7.6898 -6.9994 -6.9987 -5.4918 -5.4901 -4.7945 -4.7934 -4.4348 -4.4317 -3.7467 -3.7439 -3.3470 -3.3448 -3.0520 -3.0498 -2.8402 -2.8354 -1.2341 -1.2333 -1.1461 -1.1442 -0.5920 -0.5892 0.2766 0.2803 0.6081 0.6106 0.9501 0.9511 4.7731 4.7733 8.0459 8.0469 8.4808 8.4823 10.9385 10.9392 k = 0.1702-0.0267-0.0102 ( 12211 PWs) bands (ev): -41.7233 -41.7233 -21.8151 -21.8151 -20.2271 -20.2271 -19.4633 -19.4632 -19.0640 -19.0639 -17.2432 -17.2432 -10.6866 -10.6865 -7.6922 -7.6921 -6.9745 -6.9738 -5.4907 -5.4890 -4.7940 -4.7930 -4.3989 -4.3960 -3.7476 -3.7449 -3.3470 -3.3448 -3.0521 -3.0499 -2.8187 -2.8143 -1.2130 -1.2121 -1.1421 -1.1402 -0.5858 -0.5830 0.2793 0.2831 0.5883 0.5906 0.9441 0.9452 4.7581 4.7583 7.9940 7.9948 8.4687 8.4700 10.9251 10.9258 k = 0.1596-0.0251-0.0096 ( 12209 PWs) bands (ev): -41.7234 -41.7234 -21.8201 -21.8201 -20.2277 -20.2277 -19.4608 -19.4608 -19.0664 -19.0664 -17.2458 -17.2458 -10.6968 -10.6967 -7.6945 -7.6944 -6.9505 -6.9498 -5.4898 -5.4881 -4.7936 -4.7927 -4.3637 -4.3609 -3.7485 -3.7458 -3.3470 -3.3447 -3.0529 -3.0508 -2.7973 -2.7932 -1.1931 -1.1923 -1.1377 -1.1359 -0.5797 -0.5769 0.2814 0.2852 0.5692 0.5715 0.9384 0.9396 4.7434 4.7436 7.9433 7.9441 8.4580 8.4592 10.9125 10.9133 k = 0.1489-0.0234-0.0090 ( 12214 PWs) bands (ev): -41.7234 -41.7234 -21.8248 -21.8248 -20.2283 -20.2283 -19.4585 -19.4585 -19.0687 -19.0687 -17.2483 -17.2483 -10.7065 -10.7064 -7.6966 -7.6966 -6.9275 -6.9268 -5.4888 -5.4872 -4.7933 -4.7925 -4.3294 -4.3267 -3.7493 -3.7467 -3.3468 -3.3445 -3.0542 -3.0521 -2.7763 -2.7724 -1.1752 -1.1744 -1.1324 -1.1307 -0.5736 -0.5709 0.2827 0.2864 0.5511 0.5533 0.9330 0.9342 4.7292 4.7294 7.8945 7.8951 8.4485 8.4496 10.9010 10.9017 k = 0.1383-0.0217-0.0083 ( 12210 PWs) bands (ev): -41.7235 -41.7235 -21.8293 -21.8293 -20.2289 -20.2289 -19.4563 -19.4563 -19.0710 -19.0710 -17.2506 -17.2506 -10.7156 -10.7155 -7.6987 -7.6986 -6.9056 -6.9049 -5.4879 -5.4864 -4.7930 -4.7922 -4.2961 -4.2935 -3.7501 -3.7476 -3.3466 -3.3442 -3.0560 -3.0539 -2.7558 -2.7523 -1.1606 -1.1601 -1.1247 -1.1233 -0.5676 -0.5650 0.2832 0.2869 0.5341 0.5361 0.9279 0.9290 4.7154 4.7156 7.8478 7.8484 8.4399 8.4409 10.8904 10.8911 k = 0.1277-0.0201-0.0077 ( 12210 PWs) bands (ev): -41.7236 -41.7236 -21.8335 -21.8335 -20.2294 -20.2294 -19.4542 -19.4542 -19.0731 -19.0731 -17.2528 -17.2528 -10.7242 -10.7241 -7.7006 -7.7006 -6.8849 -6.8843 -5.4871 -5.4856 -4.7927 -4.7921 -4.2641 -4.2616 -3.7509 -3.7485 -3.3462 -3.3438 -3.0580 -3.0559 -2.7361 -2.7329 -1.1506 -1.1504 -1.1137 -1.1128 -0.5617 -0.5592 0.2829 0.2865 0.5184 0.5203 0.9230 0.9241 4.7023 4.7024 7.8036 7.8041 8.4322 8.4331 10.8808 10.8815 k = 0.1170-0.0184-0.0070 ( 12209 PWs) bands (ev): -41.7236 -41.7236 -21.8375 -21.8375 -20.2299 -20.2299 -19.4523 -19.4522 -19.0751 -19.0751 -17.2549 -17.2549 -10.7322 -10.7321 -7.7025 -7.7024 -6.8655 -6.8649 -5.4864 -5.4849 -4.7925 -4.7919 -4.2335 -4.2312 -3.7519 -3.7496 -3.3455 -3.3432 -3.0603 -3.0583 -2.7174 -2.7144 -1.1447 -1.1444 -1.1001 -1.0996 -0.5561 -0.5536 0.2817 0.2852 0.5041 0.5059 0.9184 0.9195 4.6898 4.6900 7.7622 7.7626 8.4252 8.4260 10.8723 10.8730 k = 0.1064-0.0167-0.0064 ( 12204 PWs) bands (ev): -41.7237 -41.7237 -21.8411 -21.8411 -20.2304 -20.2304 -19.4504 -19.4504 -19.0769 -19.0769 -17.2569 -17.2569 -10.7395 -10.7395 -7.7042 -7.7041 -6.8475 -6.8469 -5.4856 -5.4843 -4.7923 -4.7917 -4.2046 -4.2024 -3.7529 -3.7508 -3.3447 -3.3424 -3.0628 -3.0608 -2.6998 -2.6971 -1.1412 -1.1407 -1.0858 -1.0855 -0.5506 -0.5483 0.2798 0.2830 0.4914 0.4930 0.9141 0.9152 4.6782 4.6783 7.7237 7.7241 8.4189 8.4196 10.8649 10.8655 k = 0.0957-0.0150-0.0058 ( 12203 PWs) bands (ev): -41.7237 -41.7237 -21.8445 -21.8445 -20.2309 -20.2309 -19.4488 -19.4487 -19.0787 -19.0786 -17.2586 -17.2586 -10.7463 -10.7462 -7.7057 -7.7057 -6.8309 -6.8304 -5.4850 -5.4837 -4.7921 -4.7916 -4.1776 -4.1755 -3.7541 -3.7521 -3.3437 -3.3414 -3.0654 -3.0634 -2.6835 -2.6810 -1.1388 -1.1383 -1.0718 -1.0715 -0.5454 -0.5433 0.2771 0.2801 0.4802 0.4816 0.9102 0.9112 4.6674 4.6675 7.6884 7.6887 8.4131 8.4138 10.8585 10.8592 k = 0.0851-0.0134-0.0051 ( 12207 PWs) bands (ev): -41.7238 -41.7238 -21.8475 -21.8475 -20.2313 -20.2313 -19.4472 -19.4472 -19.0802 -19.0802 -17.2602 -17.2602 -10.7523 -10.7523 -7.7071 -7.7071 -6.8159 -6.8155 -5.4844 -5.4833 -4.7919 -4.7914 -4.1526 -4.1507 -3.7554 -3.7535 -3.3424 -3.3403 -3.0680 -3.0661 -2.6685 -2.6664 -1.1372 -1.1366 -1.0587 -1.0584 -0.5406 -0.5386 0.2739 0.2766 0.4707 0.4719 0.9066 0.9075 4.6576 4.6577 7.6563 7.6566 8.4080 8.4086 10.8533 10.8539 k = 0.0745-0.0117-0.0045 ( 12216 PWs) bands (ev): -41.7238 -41.7238 -21.8502 -21.8502 -20.2316 -20.2316 -19.4459 -19.4459 -19.0816 -19.0816 -17.2617 -17.2617 -10.7577 -10.7577 -7.7084 -7.7084 -6.8025 -6.8021 -5.4839 -5.4829 -4.7917 -4.7913 -4.1299 -4.1281 -3.7568 -3.7551 -3.3411 -3.3391 -3.0705 -3.0687 -2.6551 -2.6531 -1.1359 -1.1354 -1.0467 -1.0464 -0.5361 -0.5343 0.2702 0.2726 0.4627 0.4637 0.9034 0.9042 4.6487 4.6488 7.6278 7.6280 8.4035 8.4040 10.8492 10.8497 k = 0.0638-0.0100-0.0038 ( 12210 PWs) bands (ev): -41.7239 -41.7239 -21.8526 -21.8526 -20.2319 -20.2319 -19.4447 -19.4447 -19.0828 -19.0828 -17.2629 -17.2629 -10.7624 -10.7624 -7.7095 -7.7095 -6.7907 -6.7904 -5.4834 -5.4825 -4.7915 -4.7912 -4.1096 -4.1080 -3.7583 -3.7568 -3.3396 -3.3378 -3.0729 -3.0713 -2.6432 -2.6415 -1.1350 -1.1346 -1.0361 -1.0358 -0.5320 -0.5304 0.2664 0.2685 0.4562 0.4570 0.9006 0.9013 4.6410 4.6411 7.6027 7.6029 8.3995 8.4000 10.8461 10.8466 k = 0.0532-0.0084-0.0032 ( 12205 PWs) bands (ev): -41.7239 -41.7239 -21.8546 -21.8546 -20.2322 -20.2322 -19.4437 -19.4437 -19.0839 -19.0839 -17.2640 -17.2640 -10.7664 -10.7664 -7.7105 -7.7104 -6.7807 -6.7804 -5.4830 -5.4823 -4.7914 -4.7911 -4.0919 -4.0905 -3.7598 -3.7585 -3.3381 -3.3365 -3.0751 -3.0737 -2.6329 -2.6316 -1.1344 -1.1339 -1.0269 -1.0267 -0.5284 -0.5271 0.2626 0.2644 0.4509 0.4516 0.8981 0.8988 4.6343 4.6344 7.5814 7.5816 8.3962 8.3966 10.8441 10.8446 k = 0.0426-0.0067-0.0026 ( 12209 PWs) bands (ev): -41.7239 -41.7239 -21.8563 -21.8563 -20.2324 -20.2324 -19.4429 -19.4428 -19.0847 -19.0847 -17.2649 -17.2649 -10.7697 -10.7697 -7.7112 -7.7112 -6.7724 -6.7722 -5.4827 -5.4821 -4.7912 -4.7910 -4.0771 -4.0759 -3.7612 -3.7601 -3.3366 -3.3353 -3.0770 -3.0758 -2.6244 -2.6233 -1.1339 -1.1335 -1.0193 -1.0191 -0.5254 -0.5243 0.2591 0.2606 0.4469 0.4474 0.8962 0.8967 4.6288 4.6289 7.5638 7.5639 8.3935 8.3938 10.8431 10.8434 k = 0.0319-0.0050-0.0019 ( 12208 PWs) bands (ev): -41.7240 -41.7240 -21.8576 -21.8576 -20.2326 -20.2326 -19.4422 -19.4422 -19.0854 -19.0854 -17.2656 -17.2656 -10.7723 -10.7723 -7.7119 -7.7118 -6.7659 -6.7657 -5.4824 -5.4819 -4.7911 -4.7909 -4.0652 -4.0643 -3.7624 -3.7616 -3.3354 -3.3343 -3.0785 -3.0776 -2.6178 -2.6169 -1.1335 -1.1332 -1.0133 -1.0132 -0.5229 -0.5221 0.2562 0.2573 0.4439 0.4443 0.8946 0.8950 4.6245 4.6246 7.5500 7.5501 8.3913 8.3916 10.8427 10.8430 k = 0.0213-0.0033-0.0013 ( 12209 PWs) bands (ev): -41.7240 -41.7240 -21.8585 -21.8585 -20.2328 -20.2328 -19.4417 -19.4417 -19.0859 -19.0859 -17.2661 -17.2661 -10.7741 -10.7741 -7.7123 -7.7123 -6.7612 -6.7611 -5.4822 -5.4819 -4.7910 -4.7909 -4.0565 -4.0559 -3.7634 -3.7628 -3.3343 -3.3336 -3.0796 -3.0790 -2.6129 -2.6123 -1.1332 -1.1331 -1.0090 -1.0089 -0.5211 -0.5205 0.2541 0.2548 0.4419 0.4421 0.8935 0.8938 4.6214 4.6215 7.5402 7.5403 8.3898 8.3900 10.8429 10.8431 k = 0.0106-0.0017-0.0006 ( 12211 PWs) bands (ev): -41.7240 -41.7240 -21.8590 -21.8590 -20.2328 -20.2328 -19.4414 -19.4414 -19.0862 -19.0862 -17.2664 -17.2664 -10.7752 -10.7752 -7.7126 -7.7125 -6.7584 -6.7584 -5.4820 -5.4819 -4.7909 -4.7909 -4.0512 -4.0509 -3.7639 -3.7636 -3.3336 -3.3332 -3.0802 -3.0799 -2.6099 -2.6096 -1.1331 -1.1330 -1.0064 -1.0064 -0.5199 -0.5197 0.2528 0.2532 0.4407 0.4408 0.8929 0.8930 4.6196 4.6196 7.5343 7.5343 8.3889 8.3890 10.8432 10.8433 k = 0.0000 0.0000 0.0000 ( 12209 PWs) bands (ev): -41.7240 -41.7240 -21.8592 -21.8592 -20.2329 -20.2329 -19.4414 -19.4414 -19.0863 -19.0863 -17.2665 -17.2665 -10.7756 -10.7756 -7.7126 -7.7126 -6.7575 -6.7575 -5.4819 -5.4819 -4.7909 -4.7909 -4.0493 -4.0493 -3.7640 -3.7640 -3.3332 -3.3332 -3.0803 -3.0803 -2.6088 -2.6088 -1.1330 -1.1330 -1.0055 -1.0055 -0.5195 -0.5195 0.2525 0.2525 0.4404 0.4404 0.8927 0.8927 4.6189 4.6189 7.5323 7.5323 8.3887 8.3887 10.8433 10.8433 k = 0.0000 0.0000 0.0000 ( 12209 PWs) bands (ev): -41.7240 -41.7240 -21.8592 -21.8592 -20.2329 -20.2329 -19.4414 -19.4414 -19.0863 -19.0863 -17.2665 -17.2665 -10.7756 -10.7756 -7.7126 -7.7126 -6.7575 -6.7575 -5.4819 -5.4819 -4.7909 -4.7909 -4.0493 -4.0493 -3.7640 -3.7640 -3.3332 -3.3332 -3.0803 -3.0803 -2.6088 -2.6088 -1.1330 -1.1330 -1.0055 -1.0055 -0.5195 -0.5195 0.2525 0.2525 0.4404 0.4404 0.8927 0.8927 4.6189 4.6189 7.5323 7.5323 8.3887 8.3887 10.8433 10.8433 k = 0.0000 0.0103-0.0020 ( 12210 PWs) bands (ev): -41.7240 -41.7240 -21.8591 -21.8591 -20.2329 -20.2329 -19.4419 -19.4419 -19.0861 -19.0861 -17.2663 -17.2663 -10.7747 -10.7747 -7.7127 -7.7127 -6.7591 -6.7590 -5.4824 -5.4821 -4.7909 -4.7908 -4.0496 -4.0495 -3.7645 -3.7641 -3.3329 -3.3328 -3.0798 -3.0796 -2.6088 -2.6086 -1.1331 -1.1331 -1.0055 -1.0055 -0.5202 -0.5199 0.2527 0.2529 0.4414 0.4419 0.8932 0.8934 4.6192 4.6192 7.5336 7.5336 8.3881 8.3882 10.8409 10.8410 k = 0.0000 0.0207-0.0039 ( 12211 PWs) bands (ev): -41.7240 -41.7240 -21.8586 -21.8586 -20.2330 -20.2330 -19.4435 -19.4435 -19.0856 -19.0856 -17.2657 -17.2657 -10.7722 -10.7721 -7.7129 -7.7129 -6.7640 -6.7639 -5.4835 -5.4830 -4.7909 -4.7907 -4.0503 -4.0502 -3.7655 -3.7648 -3.3318 -3.3316 -3.0782 -3.0778 -2.6086 -2.6083 -1.1333 -1.1333 -1.0056 -1.0055 -0.5221 -0.5215 0.2537 0.2540 0.4450 0.4459 0.8950 0.8954 4.6198 4.6198 7.5374 7.5374 8.3866 8.3867 10.8333 10.8335 k = 0.0000 0.0310-0.0059 ( 12208 PWs) bands (ev): -41.7240 -41.7240 -21.8579 -21.8579 -20.2332 -20.2332 -19.4461 -19.4461 -19.0847 -19.0847 -17.2648 -17.2648 -10.7679 -10.7679 -7.7132 -7.7131 -6.7721 -6.7719 -5.4852 -5.4845 -4.7909 -4.7906 -4.0515 -4.0514 -3.7670 -3.7661 -3.3299 -3.3296 -3.0754 -3.0749 -2.6083 -2.6077 -1.1337 -1.1336 -1.0056 -1.0054 -0.5252 -0.5242 0.2553 0.2558 0.4511 0.4525 0.8980 0.8986 4.6209 4.6210 7.5438 7.5438 8.3842 8.3842 10.8204 10.8207 k = 0.0000 0.0414-0.0079 ( 12207 PWs) bands (ev): -41.7240 -41.7240 -21.8569 -21.8569 -20.2334 -20.2334 -19.4497 -19.4497 -19.0835 -19.0835 -17.2634 -17.2634 -10.7619 -10.7619 -7.7136 -7.7136 -6.7834 -6.7831 -5.4876 -5.4866 -4.7908 -4.7904 -4.0532 -4.0530 -3.7690 -3.7678 -3.3272 -3.3268 -3.0716 -3.0709 -2.6077 -2.6070 -1.1343 -1.1341 -1.0055 -1.0054 -0.5293 -0.5281 0.2575 0.2581 0.4597 0.4615 0.9023 0.9030 4.6225 4.6225 7.5528 7.5528 8.3807 8.3808 10.8017 10.8021 k = 0.0000 0.0517-0.0099 ( 12208 PWs) bands (ev): -41.7240 -41.7240 -21.8556 -21.8556 -20.2337 -20.2337 -19.4542 -19.4542 -19.0820 -19.0820 -17.2618 -17.2618 -10.7543 -10.7543 -7.7142 -7.7141 -6.7977 -6.7973 -5.4905 -5.4894 -4.7907 -4.7903 -4.0553 -4.0551 -3.7715 -3.7700 -3.3238 -3.3233 -3.0669 -3.0661 -2.6070 -2.6061 -1.1349 -1.1347 -1.0055 -1.0054 -0.5345 -0.5331 0.2601 0.2608 0.4708 0.4730 0.9077 0.9085 4.6244 4.6245 7.5642 7.5642 8.3764 8.3765 10.7771 10.7776 k = 0.0000 0.0621-0.0118 ( 12210 PWs) bands (ev): -41.7240 -41.7240 -21.8540 -21.8540 -20.2340 -20.2340 -19.4596 -19.4596 -19.0803 -19.0803 -17.2598 -17.2598 -10.7451 -10.7451 -7.7148 -7.7147 -6.8149 -6.8144 -5.4939 -5.4926 -4.7905 -4.7901 -4.0578 -4.0576 -3.7742 -3.7726 -3.3195 -3.3189 -3.0614 -3.0604 -2.6061 -2.6051 -1.1357 -1.1355 -1.0055 -1.0053 -0.5407 -0.5391 0.2632 0.2639 0.4844 0.4869 0.9142 0.9153 4.6268 4.6269 7.5781 7.5782 8.3712 8.3714 10.7466 10.7472 k = 0.0000 0.0724-0.0138 ( 12212 PWs) bands (ev): -41.7240 -41.7240 -21.8522 -21.8522 -20.2345 -20.2345 -19.4658 -19.4658 -19.0784 -19.0783 -17.2574 -17.2574 -10.7343 -10.7343 -7.7156 -7.7155 -6.8349 -6.8344 -5.4978 -5.4963 -4.7904 -4.7899 -4.0608 -4.0605 -3.7773 -3.7754 -3.3143 -3.3138 -3.0552 -3.0542 -2.6050 -2.6039 -1.1365 -1.1363 -1.0055 -1.0052 -0.5479 -0.5460 0.2666 0.2673 0.5002 0.5030 0.9219 0.9231 4.6296 4.6297 7.5945 7.5946 8.3652 8.3654 10.7105 10.7113 k = 0.0000 0.0828-0.0158 ( 12214 PWs) bands (ev): -41.7240 -41.7240 -21.8501 -21.8501 -20.2350 -20.2350 -19.4727 -19.4727 -19.0762 -19.0762 -17.2548 -17.2548 -10.7221 -10.7220 -7.7165 -7.7164 -6.8576 -6.8570 -5.5021 -5.5004 -4.7903 -4.7898 -4.0642 -4.0638 -3.7806 -3.7785 -3.3084 -3.3078 -3.0486 -3.0475 -2.6039 -2.6026 -1.1374 -1.1372 -1.0054 -1.0052 -0.5559 -0.5539 0.2701 0.2709 0.5181 0.5212 0.9306 0.9319 4.6327 4.6328 7.6133 7.6133 8.3584 8.3587 10.6693 10.6701 k = 0.0000 0.0931-0.0178 ( 12209 PWs) bands (ev): -41.7240 -41.7240 -21.8479 -21.8479 -20.2355 -20.2355 -19.4803 -19.4802 -19.0740 -19.0740 -17.2520 -17.2520 -10.7084 -10.7083 -7.7175 -7.7174 -6.8827 -6.8821 -5.5067 -5.5049 -4.7902 -4.7897 -4.0679 -4.0675 -3.7839 -3.7818 -3.3017 -3.3010 -3.0416 -3.0404 -2.6026 -2.6012 -1.1384 -1.1382 -1.0054 -1.0051 -0.5647 -0.5625 0.2739 0.2746 0.5381 0.5414 0.9404 0.9418 4.6362 4.6363 7.6344 7.6345 8.3510 8.3513 10.6234 10.6243 k = 0.0000 0.1035-0.0197 ( 12203 PWs) bands (ev): -41.7240 -41.7240 -21.8454 -21.8454 -20.2361 -20.2361 -19.4883 -19.4883 -19.0716 -19.0716 -17.2489 -17.2489 -10.6933 -10.6933 -7.7186 -7.7185 -6.9101 -6.9095 -5.5115 -5.5097 -4.7902 -4.7896 -4.0719 -4.0715 -3.7873 -3.7851 -3.2942 -3.2935 -3.0343 -3.0332 -2.6012 -2.5998 -1.1394 -1.1391 -1.0053 -1.0050 -0.5741 -0.5719 0.2777 0.2784 0.5597 0.5632 0.9511 0.9527 4.6400 4.6402 7.6578 7.6579 8.3431 8.3433 10.5733 10.5743 k = 0.0000 0.1138-0.0217 ( 12203 PWs) bands (ev): -41.7240 -41.7240 -21.8427 -21.8427 -20.2368 -20.2368 -19.4969 -19.4968 -19.0692 -19.0692 -17.2456 -17.2456 -10.6770 -10.6770 -7.7199 -7.7198 -6.9395 -6.9389 -5.5166 -5.5147 -4.7902 -4.7895 -4.0762 -4.0758 -3.7908 -3.7884 -3.2860 -3.2853 -3.0270 -3.0259 -2.5997 -2.5982 -1.1404 -1.1401 -1.0053 -1.0050 -0.5842 -0.5819 0.2815 0.2822 0.5828 0.5864 0.9628 0.9645 4.6442 4.6443 7.6833 7.6834 8.3346 8.3349 10.5195 10.5204 k = 0.0000 0.1242-0.0237 ( 12198 PWs) bands (ev): -41.7240 -41.7240 -21.8398 -21.8398 -20.2375 -20.2375 -19.5057 -19.5057 -19.0668 -19.0667 -17.2421 -17.2421 -10.6595 -10.6595 -7.7213 -7.7211 -6.9707 -6.9701 -5.5218 -5.5199 -4.7902 -4.7896 -4.0807 -4.0802 -3.7941 -3.7918 -3.2771 -3.2763 -3.0198 -3.0187 -2.5982 -2.5967 -1.1414 -1.1411 -1.0052 -1.0049 -0.5947 -0.5924 0.2853 0.2859 0.6071 0.6108 0.9754 0.9771 4.6486 4.6487 7.7110 7.7111 8.3258 8.3261 10.4623 10.4633 k = 0.0000 0.1345-0.0257 ( 12200 PWs) bands (ev): -41.7240 -41.7240 -21.8368 -21.8368 -20.2383 -20.2382 -19.5149 -19.5148 -19.0643 -19.0643 -17.2385 -17.2385 -10.6410 -10.6410 -7.7228 -7.7227 -7.0034 -7.0028 -5.5271 -5.5251 -4.7903 -4.7897 -4.0854 -4.0849 -3.7974 -3.7950 -3.2676 -3.2667 -3.0127 -3.0116 -2.5967 -2.5951 -1.1424 -1.1421 -1.0051 -1.0048 -0.6056 -0.6033 0.2891 0.2897 0.6322 0.6360 0.9888 0.9906 4.6532 4.6534 7.7407 7.7408 8.3168 8.3171 10.4022 10.4033 k = 0.0000 0.1449-0.0276 ( 12201 PWs) bands (ev): -41.7240 -41.7240 -21.8337 -21.8337 -20.2391 -20.2391 -19.5242 -19.5241 -19.0619 -19.0618 -17.2348 -17.2348 -10.6215 -10.6215 -7.7245 -7.7243 -7.0374 -7.0367 -5.5324 -5.5305 -4.7904 -4.7898 -4.0902 -4.0897 -3.8005 -3.7981 -3.2575 -3.2566 -3.0058 -3.0048 -2.5951 -2.5935 -1.1434 -1.1431 -1.0050 -1.0047 -0.6168 -0.6145 0.2928 0.2933 0.6579 0.6617 1.0030 1.0049 4.6580 4.6582 7.7722 7.7724 8.3077 8.3081 10.3397 10.3408 k = 0.0000 0.1552-0.0296 ( 12199 PWs) bands (ev): -41.7240 -41.7240 -21.8305 -21.8305 -20.2399 -20.2399 -19.5336 -19.5335 -19.0595 -19.0595 -17.2311 -17.2311 -10.6013 -10.6013 -7.7263 -7.7261 -7.0723 -7.0716 -5.5377 -5.5358 -4.7906 -4.7900 -4.0951 -4.0946 -3.8035 -3.8011 -3.2469 -3.2460 -2.9993 -2.9984 -2.5936 -2.5920 -1.1443 -1.1440 -1.0049 -1.0046 -0.6281 -0.6259 0.2965 0.2969 0.6837 0.6874 1.0181 1.0200 4.6630 4.6632 7.8055 7.8056 8.2988 8.2992 10.2752 10.2763 k = 0.0000 0.1656-0.0316 ( 12203 PWs) bands (ev): -41.7240 -41.7240 -21.8273 -21.8273 -20.2408 -20.2408 -19.5430 -19.5430 -19.0572 -19.0571 -17.2273 -17.2273 -10.5804 -10.5804 -7.7283 -7.7281 -7.1078 -7.1072 -5.5429 -5.5410 -4.7909 -4.7903 -4.1001 -4.0995 -3.8063 -3.8040 -3.2359 -3.2349 -2.9932 -2.9924 -2.5920 -2.5905 -1.1452 -1.1449 -1.0048 -1.0044 -0.6395 -0.6373 0.3000 0.3004 0.7093 0.7130 1.0338 1.0357 4.6681 4.6683 7.8402 7.8403 8.2901 8.2906 10.2089 10.2100 k = 0.0000 0.1759-0.0336 ( 12198 PWs) bands (ev): -41.7240 -41.7240 -21.8240 -21.8240 -20.2417 -20.2417 -19.5523 -19.5523 -19.0549 -19.0549 -17.2235 -17.2235 -10.5591 -10.5591 -7.7305 -7.7303 -7.1436 -7.1430 -5.5480 -5.5462 -4.7912 -4.7906 -4.1050 -4.1044 -3.8089 -3.8066 -3.2246 -3.2235 -2.9876 -2.9868 -2.5905 -2.5890 -1.1460 -1.1457 -1.0046 -1.0043 -0.6509 -0.6488 0.3034 0.3038 0.7345 0.7381 1.0502 1.0521 4.6733 4.6735 7.8760 7.8762 8.2822 8.2827 10.1413 10.1424 k = 0.0000 0.1863-0.0355 ( 12208 PWs) bands (ev): -41.7240 -41.7240 -21.8207 -21.8207 -20.2426 -20.2426 -19.5615 -19.5615 -19.0528 -19.0527 -17.2198 -17.2198 -10.5375 -10.5374 -7.7328 -7.7326 -7.1794 -7.1788 -5.5530 -5.5513 -4.7915 -4.7910 -4.1098 -4.1092 -3.8113 -3.8091 -3.2130 -3.2119 -2.9825 -2.9818 -2.5891 -2.5877 -1.1467 -1.1464 -1.0045 -1.0042 -0.6622 -0.6601 0.3067 0.3070 0.7589 0.7623 1.0671 1.0690 4.6785 4.6787 7.9126 7.9129 8.2753 8.2758 10.0727 10.0738 k = 0.0000 0.1966-0.0375 ( 12201 PWs) bands (ev): -41.7240 -41.7240 -21.8174 -21.8174 -20.2436 -20.2436 -19.5704 -19.5704 -19.0507 -19.0507 -17.2162 -17.2162 -10.5157 -10.5156 -7.7354 -7.7351 -7.2147 -7.2142 -5.5578 -5.5561 -4.7919 -4.7914 -4.1145 -4.1139 -3.8135 -3.8114 -3.2013 -3.2002 -2.9779 -2.9773 -2.5878 -2.5864 -1.1474 -1.1471 -1.0044 -1.0041 -0.6732 -0.6712 0.3098 0.3101 0.7822 0.7854 1.0846 1.0863 4.6837 4.6839 7.9494 7.9497 8.2700 8.2706 10.0034 10.0045 k = 0.0000 0.2069-0.0395 ( 12201 PWs) bands (ev): -41.7240 -41.7240 -21.8142 -21.8142 -20.2445 -20.2445 -19.5791 -19.5790 -19.0488 -19.0488 -17.2126 -17.2126 -10.4940 -10.4940 -7.7381 -7.7379 -7.2494 -7.2488 -5.5623 -5.5608 -4.7923 -4.7918 -4.1191 -4.1185 -3.8155 -3.8135 -3.1895 -3.1883 -2.9739 -2.9734 -2.5865 -2.5852 -1.1480 -1.1478 -1.0042 -1.0039 -0.6838 -0.6820 0.3128 0.3131 0.8042 0.8073 1.1023 1.1040 4.6888 4.6890 7.9855 7.9858 8.2671 8.2678 9.9337 9.9348 k = 0.0000 0.2173-0.0415 ( 12200 PWs) bands (ev): -41.7240 -41.7240 -21.8111 -21.8111 -20.2455 -20.2454 -19.5873 -19.5873 -19.0470 -19.0470 -17.2092 -17.2092 -10.4726 -10.4726 -7.7411 -7.7408 -7.2829 -7.2823 -5.5667 -5.5652 -4.7928 -4.7923 -4.1234 -4.1229 -3.8173 -3.8154 -3.1778 -3.1766 -2.9705 -2.9701 -2.5854 -2.5841 -1.1486 -1.1483 -1.0041 -1.0038 -0.6941 -0.6924 0.3156 0.3158 0.8247 0.8276 1.1202 1.1217 4.6938 4.6940 8.0197 8.0200 8.2678 8.2686 9.8640 9.8651 k = 0.0000 0.2276-0.0434 ( 12205 PWs) bands (ev): -41.7240 -41.7240 -21.8081 -21.8081 -20.2464 -20.2464 -19.5952 -19.5952 -19.0453 -19.0453 -17.2060 -17.2060 -10.4518 -10.4517 -7.7443 -7.7440 -7.3149 -7.3144 -5.5707 -5.5694 -4.7932 -4.7928 -4.1275 -4.1270 -3.8189 -3.8172 -3.1663 -3.1650 -2.9677 -2.9674 -2.5844 -2.5832 -1.1490 -1.1488 -1.0040 -1.0037 -0.7038 -0.7022 0.3182 0.3184 0.8437 0.8463 1.1380 1.1394 4.6986 4.6988 8.0500 8.0505 8.2739 8.2747 9.7947 9.7958 k = 0.0000 0.2380-0.0454 ( 12199 PWs) bands (ev): -41.7240 -41.7240 -21.8052 -21.8052 -20.2473 -20.2473 -19.6026 -19.6025 -19.0438 -19.0437 -17.2029 -17.2029 -10.4316 -10.4316 -7.7477 -7.7475 -7.3452 -7.3447 -5.5745 -5.5732 -4.7937 -4.7932 -4.1314 -4.1309 -3.8204 -3.8188 -3.1550 -3.1537 -2.9656 -2.9653 -2.5834 -2.5823 -1.1495 -1.1493 -1.0038 -1.0036 -0.7130 -0.7116 0.3207 0.3209 0.8609 0.8633 1.1555 1.1568 4.7032 4.7034 8.0747 8.0752 8.2870 8.2879 9.7261 9.7271 k = 0.0000 0.2483-0.0474 ( 12196 PWs) bands (ev): -41.7240 -41.7240 -21.8025 -21.8025 -20.2481 -20.2481 -19.6094 -19.6093 -19.0424 -19.0423 -17.2001 -17.2001 -10.4125 -10.4125 -7.7513 -7.7511 -7.3733 -7.3729 -5.5780 -5.5768 -4.7941 -4.7937 -4.1350 -4.1345 -3.8216 -3.8202 -3.1440 -3.1428 -2.9640 -2.9637 -2.5826 -2.5816 -1.1498 -1.1496 -1.0037 -1.0034 -0.7215 -0.7202 0.3229 0.3231 0.8765 0.8786 1.1724 1.1735 4.7076 4.7077 8.0925 8.0930 8.3083 8.3092 9.6586 9.6597 k = 0.0000 0.2587-0.0494 ( 12197 PWs) bands (ev): -41.7240 -41.7240 -21.8001 -21.8001 -20.2489 -20.2489 -19.6156 -19.6156 -19.0411 -19.0411 -17.1975 -17.1975 -10.3946 -10.3945 -7.7551 -7.7549 -7.3990 -7.3986 -5.5811 -5.5801 -4.7945 -4.7942 -4.1382 -4.1377 -3.8228 -3.8214 -3.1336 -3.1324 -2.9630 -2.9627 -2.5819 -2.5810 -1.1501 -1.1500 -1.0036 -1.0033 -0.7294 -0.7282 0.3249 0.3251 0.8903 0.8922 1.1884 1.1894 4.7116 4.7117 8.1036 8.1040 8.3370 8.3380 9.5929 9.5939 k = 0.0000 0.2690-0.0513 ( 12203 PWs) bands (ev): -41.7240 -41.7240 -21.7978 -21.7978 -20.2496 -20.2496 -19.6212 -19.6212 -19.0400 -19.0400 -17.1952 -17.1952 -10.3780 -10.3780 -7.7590 -7.7588 -7.4220 -7.4216 -5.5839 -5.5830 -4.7949 -4.7946 -4.1411 -4.1407 -3.8237 -3.8225 -3.1238 -3.1226 -2.9624 -2.9621 -2.5813 -2.5805 -1.1504 -1.1502 -1.0034 -1.0032 -0.7364 -0.7353 0.3267 0.3269 0.9024 0.9041 1.2032 1.2041 4.7152 4.7153 8.1096 8.1099 8.3713 8.3722 9.5295 9.5304 k = 0.0000 0.2794-0.0533 ( 12198 PWs) bands (ev): -41.7240 -41.7240 -21.7958 -21.7958 -20.2503 -20.2503 -19.6261 -19.6261 -19.0390 -19.0390 -17.1931 -17.1931 -10.3632 -10.3632 -7.7629 -7.7627 -7.4422 -7.4418 -5.5863 -5.5855 -4.7952 -4.7950 -4.1436 -4.1433 -3.8245 -3.8235 -3.1148 -3.1137 -2.9623 -2.9619 -2.5807 -2.5801 -1.1506 -1.1505 -1.0033 -1.0031 -0.7426 -0.7417 0.3283 0.3284 0.9128 0.9142 1.2167 1.2174 4.7185 4.7186 8.1122 8.1125 8.4086 8.4094 9.4692 9.4700 k = 0.0000 0.2897-0.0553 ( 12198 PWs) bands (ev): -41.7240 -41.7240 -21.7941 -21.7940 -20.2509 -20.2509 -19.6304 -19.6303 -19.0382 -19.0382 -17.1913 -17.1913 -10.3502 -10.3502 -7.7666 -7.7664 -7.4593 -7.4590 -5.5884 -5.5877 -4.7956 -4.7953 -4.1458 -4.1455 -3.8251 -3.8243 -3.1068 -3.1058 -2.9625 -2.9621 -2.5803 -2.5798 -1.1508 -1.1507 -1.0032 -1.0031 -0.7479 -0.7471 0.3296 0.3297 0.9216 0.9227 1.2286 1.2291 4.7213 4.7214 8.1129 8.1131 8.4465 8.4472 9.4131 9.4139 k = 0.0000 0.3001-0.0573 ( 12200 PWs) bands (ev): -41.7240 -41.7240 -21.7926 -21.7926 -20.2514 -20.2514 -19.6339 -19.6338 -19.0375 -19.0375 -17.1899 -17.1899 -10.3393 -10.3393 -7.7700 -7.7698 -7.4733 -7.4731 -5.5901 -5.5895 -4.7958 -4.7956 -4.1476 -4.1473 -3.8256 -3.8249 -3.0998 -3.0990 -2.9629 -2.9625 -2.5799 -2.5795 -1.1509 -1.1508 -1.0031 -1.0030 -0.7523 -0.7517 0.3308 0.3308 0.9287 0.9296 1.2386 1.2390 4.7237 4.7237 8.1125 8.1127 8.4829 8.4835 9.3627 9.3634 k = 0.0000 0.3104-0.0592 ( 12198 PWs) bands (ev): -41.7240 -41.7240 -21.7915 -21.7915 -20.2518 -20.2518 -19.6366 -19.6366 -19.0370 -19.0370 -17.1887 -17.1887 -10.3307 -10.3307 -7.7729 -7.7728 -7.4842 -7.4840 -5.5914 -5.5910 -4.7960 -4.7959 -4.1490 -4.1488 -3.8260 -3.8255 -3.0941 -3.0934 -2.9634 -2.9631 -2.5797 -2.5793 -1.1510 -1.1509 -1.0031 -1.0030 -0.7557 -0.7552 0.3316 0.3317 0.9343 0.9349 1.2465 1.2469 4.7255 4.7256 8.1118 8.1120 8.5154 8.5159 9.3197 9.3203 k = 0.0000 0.3208-0.0612 ( 12202 PWs) bands (ev): -41.7240 -41.7240 -21.7906 -21.7906 -20.2520 -20.2520 -19.6386 -19.6386 -19.0366 -19.0366 -17.1879 -17.1879 -10.3244 -10.3244 -7.7751 -7.7750 -7.4919 -7.4918 -5.5923 -5.5920 -4.7962 -4.7961 -4.1500 -4.1498 -3.8262 -3.8259 -3.0899 -3.0894 -2.9638 -2.9636 -2.5795 -2.5792 -1.1511 -1.1510 -1.0030 -1.0029 -0.7581 -0.7578 0.3323 0.3323 0.9382 0.9387 1.2523 1.2525 4.7269 4.7269 8.1111 8.1112 8.5414 8.5418 9.2864 9.2868 k = 0.0000 0.3311-0.0632 ( 12213 PWs) bands (ev): -41.7240 -41.7240 -21.7901 -21.7901 -20.2522 -20.2522 -19.6398 -19.6398 -19.0364 -19.0364 -17.1874 -17.1874 -10.3206 -10.3205 -7.7765 -7.7764 -7.4965 -7.4965 -5.5928 -5.5927 -4.7962 -4.7962 -4.1505 -4.1505 -3.8263 -3.8262 -3.0872 -3.0870 -2.9641 -2.9640 -2.5793 -2.5792 -1.1511 -1.1511 -1.0030 -1.0029 -0.7596 -0.7594 0.3326 0.3327 0.9407 0.9409 1.2559 1.2560 4.7277 4.7277 8.1106 8.1106 8.5585 8.5587 9.2651 9.2653 k = 0.0000 0.3415-0.0652 ( 12212 PWs) bands (ev): -41.7240 -41.7240 -21.7900 -21.7900 -20.2523 -20.2523 -19.6402 -19.6402 -19.0363 -19.0363 -17.1872 -17.1872 -10.3193 -10.3193 -7.7769 -7.7769 -7.4981 -7.4981 -5.5930 -5.5930 -4.7962 -4.7962 -4.1507 -4.1507 -3.8263 -3.8263 -3.0862 -3.0862 -2.9642 -2.9642 -2.5792 -2.5792 -1.1511 -1.1511 -1.0029 -1.0029 -0.7600 -0.7600 0.3328 0.3328 0.9415 0.9415 1.2571 1.2571 4.7280 4.7280 8.1104 8.1104 8.5645 8.5645 9.2578 9.2578 k = 0.5000 0.2629-0.0952 ( 12162 PWs) bands (ev): -41.7213 -41.7213 -21.7139 -21.7139 -20.1943 -20.1943 -19.3744 -19.3744 -19.0578 -19.0578 -17.2700 -17.2700 -10.7895 -10.7895 -7.6169 -7.6169 -6.8201 -6.8201 -5.5476 -5.5476 -5.3897 -5.3897 -4.8166 -4.8166 -3.7593 -3.7593 -3.3696 -3.3696 -2.9992 -2.9992 -2.9093 -2.9093 -1.7190 -1.7190 -1.3120 -1.3120 -0.6104 -0.6104 0.1656 0.1656 0.4684 0.4684 0.9362 0.9362 4.6691 4.6691 8.6743 8.6743 10.7491 10.7491 11.1749 11.1749 k = 0.4906 0.2579-0.0934 ( 12161 PWs) bands (ev): -41.7213 -41.7213 -21.7140 -21.7140 -20.1943 -20.1943 -19.3744 -19.3744 -19.0579 -19.0579 -17.2700 -17.2700 -10.7895 -10.7895 -7.6170 -7.6170 -6.8201 -6.8200 -5.5468 -5.5466 -5.3896 -5.3895 -4.8166 -4.8166 -3.7592 -3.7592 -3.3698 -3.3696 -2.9992 -2.9991 -2.9095 -2.9091 -1.7185 -1.7184 -1.3118 -1.3117 -0.6104 -0.6103 0.1656 0.1657 0.4683 0.4684 0.9362 0.9362 4.6693 4.6693 8.6740 8.6740 10.7414 10.7416 11.1760 11.1763 k = 0.4811 0.2530-0.0917 ( 12163 PWs) bands (ev): -41.7213 -41.7213 -21.7144 -21.7144 -20.1945 -20.1945 -19.3746 -19.3746 -19.0579 -19.0579 -17.2699 -17.2699 -10.7894 -10.7894 -7.6173 -7.6173 -6.8199 -6.8198 -5.5441 -5.5438 -5.3892 -5.3890 -4.8164 -4.8163 -3.7591 -3.7590 -3.3701 -3.3697 -2.9992 -2.9990 -2.9095 -2.9089 -1.7171 -1.7169 -1.3110 -1.3109 -0.6101 -0.6100 0.1658 0.1659 0.4681 0.4685 0.9361 0.9362 4.6699 4.6699 8.6733 8.6734 10.7192 10.7196 11.1791 11.1796 k = 0.4717 0.2480-0.0899 ( 12162 PWs) bands (ev): -41.7213 -41.7213 -21.7151 -21.7151 -20.1946 -20.1946 -19.3749 -19.3749 -19.0581 -19.0581 -17.2699 -17.2699 -10.7892 -10.7892 -7.6178 -7.6177 -6.8197 -6.8196 -5.5396 -5.5392 -5.3885 -5.3882 -4.8161 -4.8160 -3.7588 -3.7586 -3.3705 -3.3700 -2.9992 -2.9988 -2.9095 -2.9085 -1.7146 -1.7143 -1.3097 -1.3094 -0.6098 -0.6096 0.1661 0.1663 0.4680 0.4685 0.9359 0.9361 4.6710 4.6710 8.6721 8.6722 10.6844 10.6850 11.1830 11.1836 k = 0.4623 0.2431-0.0881 ( 12163 PWs) bands (ev): -41.7213 -41.7213 -21.7160 -21.7160 -20.1949 -20.1949 -19.3754 -19.3754 -19.0583 -19.0582 -17.2699 -17.2699 -10.7890 -10.7890 -7.6184 -7.6184 -6.8193 -6.8192 -5.5335 -5.5329 -5.3874 -5.3869 -4.8157 -4.8155 -3.7584 -3.7582 -3.3711 -3.3704 -2.9991 -2.9986 -2.9094 -2.9081 -1.7111 -1.7108 -1.3079 -1.3075 -0.6092 -0.6090 0.1666 0.1668 0.4678 0.4684 0.9358 0.9360 4.6724 4.6724 8.6704 8.6706 10.6394 10.6401 11.1865 11.1872 k = 0.4528 0.2381-0.0863 ( 12162 PWs) bands (ev): -41.7213 -41.7213 -21.7171 -21.7171 -20.1952 -20.1952 -19.3760 -19.3760 -19.0585 -19.0585 -17.2698 -17.2698 -10.7888 -10.7887 -7.6193 -7.6193 -6.8189 -6.8187 -5.5258 -5.5251 -5.3858 -5.3851 -4.8151 -4.8149 -3.7579 -3.7576 -3.3717 -3.3709 -2.9990 -2.9984 -2.9092 -2.9076 -1.7067 -1.7062 -1.3055 -1.3050 -0.6085 -0.6082 0.1672 0.1675 0.4676 0.4684 0.9355 0.9358 4.6742 4.6742 8.6683 8.6685 10.5862 10.5869 11.1888 11.1896 k = 0.4434 0.2331-0.0845 ( 12159 PWs) bands (ev): -41.7213 -41.7213 -21.7185 -21.7185 -20.1956 -20.1956 -19.3766 -19.3766 -19.0588 -19.0587 -17.2698 -17.2698 -10.7885 -10.7884 -7.6204 -7.6203 -6.8183 -6.8181 -5.5168 -5.5159 -5.3834 -5.3826 -4.8144 -4.8141 -3.7573 -3.7570 -3.3725 -3.3715 -2.9989 -2.9981 -2.9089 -2.9069 -1.7012 -1.7007 -1.3026 -1.3021 -0.6077 -0.6073 0.1680 0.1683 0.4673 0.4683 0.9352 0.9355 4.6763 4.6763 8.6658 8.6660 10.5266 10.5274 11.1896 11.1903 k = 0.4340 0.2282-0.0827 ( 12157 PWs) bands (ev): -41.7214 -41.7214 -21.7201 -21.7201 -20.1960 -20.1960 -19.3774 -19.3774 -19.0591 -19.0591 -17.2697 -17.2697 -10.7881 -10.7881 -7.6216 -7.6215 -6.8176 -6.8173 -5.5069 -5.5058 -5.3799 -5.3790 -4.8135 -4.8132 -3.7566 -3.7562 -3.3733 -3.3721 -2.9988 -2.9979 -2.9084 -2.9062 -1.6948 -1.6942 -1.2992 -1.2986 -0.6066 -0.6063 0.1689 0.1693 0.4670 0.4681 0.9349 0.9353 4.6787 4.6787 8.6627 8.6630 10.4619 10.4627 11.1886 11.1894 k = 0.4245 0.2232-0.0809 ( 12164 PWs) bands (ev): -41.7214 -41.7214 -21.7220 -21.7220 -20.1965 -20.1965 -19.3784 -19.3784 -19.0594 -19.0594 -17.2696 -17.2696 -10.7877 -10.7876 -7.6230 -7.6229 -6.8169 -6.8165 -5.4964 -5.4952 -5.3751 -5.3740 -4.8125 -4.8121 -3.7559 -3.7553 -3.3742 -3.3729 -2.9987 -2.9978 -2.9077 -2.9052 -1.6874 -1.6867 -1.2954 -1.2947 -0.6055 -0.6051 0.1700 0.1705 0.4666 0.4679 0.9346 0.9350 4.6813 4.6813 8.6592 8.6595 10.3932 10.3940 11.1860 11.1868 k = 0.4151 0.2183-0.0791 ( 12157 PWs) bands (ev): -41.7214 -41.7214 -21.7241 -21.7241 -20.1971 -20.1971 -19.3794 -19.3794 -19.0599 -19.0598 -17.2695 -17.2695 -10.7873 -10.7872 -7.6246 -7.6245 -6.8160 -6.8156 -5.4860 -5.4846 -5.3683 -5.3671 -4.8114 -4.8109 -3.7550 -3.7544 -3.3752 -3.3737 -2.9987 -2.9977 -2.9068 -2.9041 -1.6790 -1.6783 -1.2912 -1.2904 -0.6042 -0.6037 0.1713 0.1719 0.4662 0.4676 0.9341 0.9346 4.6840 4.6841 8.6552 8.6556 10.3212 10.3220 11.1819 11.1826 k = 0.4057 0.2133-0.0773 ( 12160 PWs) bands (ev): -41.7215 -41.7215 -21.7264 -21.7264 -20.1977 -20.1977 -19.3805 -19.3805 -19.0603 -19.0603 -17.2695 -17.2694 -10.7868 -10.7867 -7.6263 -7.6262 -6.8150 -6.8146 -5.4762 -5.4747 -5.3589 -5.3576 -4.8100 -4.8096 -3.7540 -3.7534 -3.3761 -3.3746 -2.9988 -2.9977 -2.9057 -2.9027 -1.6697 -1.6689 -1.2865 -1.2857 -0.6028 -0.6022 0.1729 0.1735 0.4658 0.4673 0.9337 0.9342 4.6869 4.6869 8.6508 8.6512 10.2466 10.2473 11.1765 11.1771 k = 0.3962 0.2083-0.0755 ( 12167 PWs) bands (ev): -41.7215 -41.7215 -21.7290 -21.7289 -20.1984 -20.1984 -19.3818 -19.3818 -19.0608 -19.0608 -17.2694 -17.2693 -10.7862 -10.7861 -7.6282 -7.6281 -6.8139 -6.8135 -5.4677 -5.4661 -5.3465 -5.3452 -4.8086 -4.8080 -3.7530 -3.7523 -3.3772 -3.3754 -2.9990 -2.9978 -2.9043 -2.9011 -1.6594 -1.6585 -1.2815 -1.2806 -0.6012 -0.6006 0.1746 0.1753 0.4652 0.4668 0.9332 0.9337 4.6898 4.6898 8.6459 8.6464 10.1697 10.1705 11.1698 11.1704 k = 0.3868 0.2034-0.0737 ( 12168 PWs) bands (ev): -41.7216 -41.7216 -21.7317 -21.7317 -20.1992 -20.1992 -19.3831 -19.3831 -19.0613 -19.0613 -17.2693 -17.2692 -10.7857 -10.7856 -7.6302 -7.6301 -6.8128 -6.8123 -5.4607 -5.4592 -5.3307 -5.3294 -4.8069 -4.8063 -3.7519 -3.7511 -3.3781 -3.3763 -2.9993 -2.9980 -2.9026 -2.8992 -1.6482 -1.6473 -1.2762 -1.2752 -0.5995 -0.5989 0.1765 0.1773 0.4646 0.4663 0.9326 0.9332 4.6926 4.6927 8.6406 8.6411 10.0910 10.0918 11.1621 11.1627 k = 0.3774 0.1984-0.0719 ( 12172 PWs) bands (ev): -41.7216 -41.7216 -21.7346 -21.7346 -20.2000 -20.2000 -19.3845 -19.3845 -19.0619 -19.0619 -17.2691 -17.2691 -10.7851 -10.7850 -7.6323 -7.6322 -6.8115 -6.8111 -5.4554 -5.4540 -5.3116 -5.3104 -4.8050 -4.8044 -3.7507 -3.7499 -3.3791 -3.3772 -2.9997 -2.9984 -2.9006 -2.8969 -1.6361 -1.6351 -1.2706 -1.2695 -0.5977 -0.5970 0.1787 0.1795 0.4639 0.4657 0.9320 0.9327 4.6954 4.6955 8.6349 8.6354 10.0108 10.0116 11.1535 11.1540 k = 0.3679 0.1935-0.0701 ( 12180 PWs) bands (ev): -41.7217 -41.7217 -21.7377 -21.7377 -20.2008 -20.2008 -19.3860 -19.3860 -19.0625 -19.0625 -17.2690 -17.2690 -10.7845 -10.7844 -7.6346 -7.6345 -6.8102 -6.8097 -5.4516 -5.4502 -5.2894 -5.2883 -4.8030 -4.8022 -3.7496 -3.7487 -3.3800 -3.3780 -3.0003 -2.9990 -2.8981 -2.8944 -1.6231 -1.6221 -1.2647 -1.2635 -0.5958 -0.5951 0.1812 0.1821 0.4631 0.4650 0.9314 0.9321 4.6980 4.6981 8.6287 8.6292 9.9294 9.9301 11.1440 11.1446 k = 0.3585 0.1885-0.0683 ( 12182 PWs) bands (ev): -41.7218 -41.7218 -21.7410 -21.7410 -20.2017 -20.2017 -19.3876 -19.3876 -19.0632 -19.0632 -17.2689 -17.2689 -10.7839 -10.7838 -7.6369 -7.6368 -6.8088 -6.8083 -5.4490 -5.4478 -5.2646 -5.2637 -4.8007 -4.7998 -3.7484 -3.7475 -3.3809 -3.3788 -3.0010 -2.9997 -2.8954 -2.8915 -1.6093 -1.6082 -1.2586 -1.2573 -0.5937 -0.5930 0.1839 0.1848 0.4622 0.4642 0.9307 0.9315 4.7005 4.7005 8.6221 8.6226 9.8469 9.8477 11.1338 11.1343 k = 0.3491 0.1835-0.0665 ( 12182 PWs) bands (ev): -41.7218 -41.7218 -21.7445 -21.7444 -20.2027 -20.2026 -19.3893 -19.3893 -19.0638 -19.0638 -17.2688 -17.2688 -10.7833 -10.7831 -7.6394 -7.6393 -6.8073 -6.8068 -5.4473 -5.4462 -5.2375 -5.2367 -4.7981 -4.7972 -3.7472 -3.7462 -3.3817 -3.3795 -3.0018 -3.0005 -2.8921 -2.8882 -1.5946 -1.5935 -1.2523 -1.2510 -0.5916 -0.5909 0.1868 0.1879 0.4612 0.4633 0.9300 0.9308 4.7026 4.7027 8.6150 8.6156 9.7636 9.7644 11.1228 11.1234 k = 0.3396 0.1786-0.0647 ( 12181 PWs) bands (ev): -41.7219 -41.7219 -21.7480 -21.7480 -20.2036 -20.2036 -19.3910 -19.3910 -19.0646 -19.0645 -17.2687 -17.2687 -10.7827 -10.7825 -7.6420 -7.6418 -6.8057 -6.8052 -5.4464 -5.4454 -5.2085 -5.2079 -4.7952 -4.7941 -3.7460 -3.7450 -3.3824 -3.3801 -3.0028 -3.0016 -2.8885 -2.8845 -1.5792 -1.5780 -1.2459 -1.2446 -0.5894 -0.5886 0.1900 0.1912 0.4600 0.4622 0.9292 0.9301 4.7045 4.7045 8.6076 8.6082 9.6797 9.6806 11.1113 11.1118 k = 0.3302 0.1736-0.0629 ( 12174 PWs) bands (ev): -41.7220 -41.7220 -21.7518 -21.7518 -20.2046 -20.2046 -19.3928 -19.3928 -19.0653 -19.0653 -17.2685 -17.2685 -10.7820 -10.7819 -7.6446 -7.6445 -6.8041 -6.8036 -5.4461 -5.4452 -5.1780 -5.1775 -4.7919 -4.7907 -3.7448 -3.7437 -3.3830 -3.3806 -3.0040 -3.0028 -2.8844 -2.8804 -1.5630 -1.5618 -1.2394 -1.2380 -0.5871 -0.5863 0.1935 0.1947 0.4587 0.4610 0.9284 0.9294 4.7060 4.7060 8.5997 8.6004 9.5954 9.5963 11.0991 11.0995 k = 0.3208 0.1686-0.0611 ( 12175 PWs) bands (ev): -41.7220 -41.7220 -21.7556 -21.7556 -20.2057 -20.2057 -19.3946 -19.3946 -19.0660 -19.0660 -17.2684 -17.2684 -10.7814 -10.7813 -7.6473 -7.6471 -6.8024 -6.8019 -5.4462 -5.4454 -5.1462 -5.1459 -4.7881 -4.7868 -3.7436 -3.7425 -3.3835 -3.3810 -3.0053 -3.0041 -2.8798 -2.8758 -1.5461 -1.5449 -1.2329 -1.2314 -0.5847 -0.5839 0.1972 0.1985 0.4573 0.4596 0.9275 0.9286 4.7071 4.7071 8.5914 8.5922 9.5108 9.5117 11.0862 11.0867 k = 0.3113 0.1637-0.0593 ( 12177 PWs) bands (ev): -41.7221 -41.7221 -21.7596 -21.7596 -20.2067 -20.2067 -19.3965 -19.3965 -19.0668 -19.0668 -17.2683 -17.2683 -10.7808 -10.7807 -7.6500 -7.6499 -6.8007 -6.8001 -5.4467 -5.4459 -5.1136 -5.1133 -4.7838 -4.7823 -3.7425 -3.7414 -3.3839 -3.3813 -3.0067 -3.0056 -2.8748 -2.8708 -1.5286 -1.5273 -1.2264 -1.2248 -0.5823 -0.5814 0.2012 0.2026 0.4558 0.4581 0.9266 0.9278 4.7078 4.7078 8.5828 8.5836 9.4261 9.4271 11.0727 11.0732 k = 0.3019 0.1587-0.0575 ( 12181 PWs) bands (ev): -41.7222 -41.7222 -21.7636 -21.7636 -20.2078 -20.2078 -19.3984 -19.3984 -19.0676 -19.0676 -17.2682 -17.2682 -10.7802 -10.7801 -7.6528 -7.6527 -6.7989 -6.7984 -5.4474 -5.4467 -5.0805 -5.0801 -4.7786 -4.7769 -3.7415 -3.7403 -3.3842 -3.3815 -3.0083 -3.0072 -2.8693 -2.8653 -1.5105 -1.5091 -1.2199 -1.2183 -0.5798 -0.5789 0.2054 0.2069 0.4541 0.4565 0.9256 0.9269 4.7080 4.7080 8.5737 8.5746 9.3415 9.3426 11.0586 11.0590 k = 0.2925 0.1538-0.0557 ( 12188 PWs) bands (ev): -41.7223 -41.7223 -21.7678 -21.7677 -20.2089 -20.2089 -19.4003 -19.4003 -19.0684 -19.0684 -17.2681 -17.2680 -10.7796 -10.7795 -7.6556 -7.6555 -6.7971 -6.7965 -5.4483 -5.4477 -5.0473 -5.0467 -4.7724 -4.7705 -3.7405 -3.7392 -3.3843 -3.3816 -3.0100 -3.0089 -2.8632 -2.8593 -1.4918 -1.4904 -1.2134 -1.2118 -0.5772 -0.5763 0.2099 0.2114 0.4522 0.4546 0.9246 0.9260 4.7078 4.7078 8.5642 8.5652 9.2572 9.2584 11.0439 11.0443 k = 0.2830 0.1488-0.0539 ( 12183 PWs) bands (ev): -41.7223 -41.7223 -21.7720 -21.7719 -20.2101 -20.2101 -19.4023 -19.4023 -19.0692 -19.0692 -17.2679 -17.2679 -10.7791 -10.7789 -7.6585 -7.6583 -6.7953 -6.7947 -5.4494 -5.4488 -5.0145 -5.0137 -4.7648 -4.7626 -3.7396 -3.7383 -3.3843 -3.3815 -3.0118 -3.0107 -2.8567 -2.8528 -1.4726 -1.4712 -1.2071 -1.2054 -0.5746 -0.5737 0.2145 0.2162 0.4502 0.4527 0.9236 0.9250 4.7071 4.7071 8.5543 8.5554 9.1734 9.1746 11.0286 11.0289 k = 0.2736 0.1438-0.0521 ( 12185 PWs) bands (ev): -41.7224 -41.7224 -21.7762 -21.7762 -20.2112 -20.2112 -19.4043 -19.4043 -19.0700 -19.0700 -17.2678 -17.2678 -10.7786 -10.7784 -7.6613 -7.6612 -6.7934 -6.7928 -5.4507 -5.4501 -4.9828 -4.9817 -4.7553 -4.7528 -3.7387 -3.7374 -3.3841 -3.3813 -3.0137 -3.0126 -2.8496 -2.8459 -1.4530 -1.4516 -1.2009 -1.1992 -0.5720 -0.5711 0.2193 0.2211 0.4481 0.4505 0.9225 0.9240 4.7059 4.7059 8.5438 8.5450 9.0903 9.0917 11.0127 11.0130 k = 0.2642 0.1389-0.0503 ( 12192 PWs) bands (ev): -41.7225 -41.7225 -21.7805 -21.7805 -20.2123 -20.2123 -19.4063 -19.4063 -19.0709 -19.0709 -17.2677 -17.2677 -10.7781 -10.7779 -7.6642 -7.6640 -6.7915 -6.7910 -5.4520 -5.4515 -4.9530 -4.9516 -4.7432 -4.7404 -3.7380 -3.7367 -3.3838 -3.3810 -3.0157 -3.0146 -2.8421 -2.8384 -1.4331 -1.4317 -1.1948 -1.1931 -0.5693 -0.5684 0.2243 0.2261 0.4458 0.4482 0.9214 0.9229 4.7043 4.7043 8.5326 8.5341 9.0082 9.0098 10.9964 10.9966 k = 0.2547 0.1339-0.0485 ( 12190 PWs) bands (ev): -41.7226 -41.7226 -21.7848 -21.7848 -20.2135 -20.2135 -19.4083 -19.4083 -19.0717 -19.0717 -17.2676 -17.2676 -10.7776 -10.7775 -7.6670 -7.6669 -6.7896 -6.7891 -5.4534 -5.4530 -4.9259 -4.9243 -4.7278 -4.7247 -3.7374 -3.7360 -3.3834 -3.3805 -3.0178 -3.0167 -2.8340 -2.8305 -1.4129 -1.4115 -1.1889 -1.1872 -0.5666 -0.5656 0.2293 0.2313 0.4433 0.4458 0.9202 0.9218 4.7022 4.7022 8.5206 8.5223 8.9276 8.9294 10.9797 10.9799 k = 0.2453 0.1290-0.0467 ( 12184 PWs) bands (ev): -41.7227 -41.7227 -21.7891 -21.7891 -20.2146 -20.2146 -19.4103 -19.4103 -19.0725 -19.0725 -17.2675 -17.2675 -10.7772 -10.7770 -7.6698 -7.6697 -6.7877 -6.7872 -5.4549 -5.4545 -4.9024 -4.9005 -4.7084 -4.7051 -3.7369 -3.7355 -3.3828 -3.3799 -3.0201 -3.0188 -2.8255 -2.8220 -1.3925 -1.3911 -1.1832 -1.1814 -0.5639 -0.5629 0.2345 0.2365 0.4408 0.4432 0.9190 0.9207 4.6997 4.6997 8.5073 8.5093 8.8490 8.8511 10.9627 10.9629 k = 0.2358 0.1240-0.0449 ( 12191 PWs) bands (ev): -41.7227 -41.7227 -21.7934 -21.7934 -20.2158 -20.2158 -19.4122 -19.4122 -19.0734 -19.0734 -17.2674 -17.2674 -10.7768 -10.7767 -7.6726 -7.6725 -6.7859 -6.7853 -5.4564 -5.4560 -4.8827 -4.8808 -4.6848 -4.6813 -3.7365 -3.7351 -3.3820 -3.3791 -3.0224 -3.0210 -2.8165 -2.8132 -1.3720 -1.3706 -1.1777 -1.1758 -0.5611 -0.5602 0.2396 0.2418 0.4382 0.4406 0.9178 0.9196 4.6968 4.6969 8.4920 8.4943 8.7733 8.7758 10.9457 10.9459 k = 0.2264 0.1190-0.0431 ( 12192 PWs) bands (ev): -41.7228 -41.7228 -21.7977 -21.7976 -20.2169 -20.2169 -19.4142 -19.4142 -19.0742 -19.0742 -17.2673 -17.2673 -10.7765 -10.7763 -7.6754 -7.6752 -6.7840 -6.7835 -5.4580 -5.4576 -4.8669 -4.8649 -4.6571 -4.6537 -3.7363 -3.7348 -3.3812 -3.3782 -3.0247 -3.0233 -2.8070 -2.8038 -1.3515 -1.3501 -1.1723 -1.1704 -0.5584 -0.5575 0.2448 0.2470 0.4355 0.4378 0.9165 0.9184 4.6936 4.6936 8.4733 8.4760 8.7022 8.7051 10.9288 10.9290 k = 0.2170 0.1141-0.0413 ( 12194 PWs) bands (ev): -41.7229 -41.7229 -21.8019 -21.8019 -20.2180 -20.2180 -19.4161 -19.4161 -19.0750 -19.0750 -17.2672 -17.2672 -10.7762 -10.7760 -7.6781 -7.6779 -6.7821 -6.7816 -5.4596 -5.4592 -4.8543 -4.8524 -4.6262 -4.6228 -3.7362 -3.7347 -3.3801 -3.3772 -3.0272 -3.0256 -2.7971 -2.7941 -1.3311 -1.3297 -1.1670 -1.1652 -0.5557 -0.5548 0.2498 0.2521 0.4328 0.4351 0.9152 0.9171 4.6900 4.6901 8.4485 8.4518 8.6385 8.6419 10.9122 10.9123 k = 0.2075 0.1091-0.0395 ( 12200 PWs) bands (ev): -41.7230 -41.7230 -21.8061 -21.8060 -20.2191 -20.2191 -19.4180 -19.4180 -19.0759 -19.0758 -17.2672 -17.2671 -10.7759 -10.7758 -7.6807 -7.6806 -6.7803 -6.7798 -5.4612 -5.4608 -4.8443 -4.8426 -4.5928 -4.5895 -3.7363 -3.7347 -3.3790 -3.3759 -3.0297 -3.0280 -2.7869 -2.7839 -1.3109 -1.3095 -1.1619 -1.1600 -0.5530 -0.5521 0.2546 0.2569 0.4301 0.4324 0.9139 0.9159 4.6862 4.6863 8.4141 8.4176 8.5862 8.5899 10.8961 10.8963 k = 0.1981 0.1042-0.0377 ( 12202 PWs) bands (ev): -41.7231 -41.7231 -21.8102 -21.8102 -20.2202 -20.2202 -19.4199 -19.4198 -19.0767 -19.0766 -17.2671 -17.2671 -10.7757 -10.7755 -7.6833 -7.6832 -6.7785 -6.7781 -5.4627 -5.4624 -4.8363 -4.8348 -4.5578 -4.5546 -3.7365 -3.7349 -3.3776 -3.3746 -3.0323 -3.0305 -2.7763 -2.7735 -1.2910 -1.2896 -1.1568 -1.1550 -0.5504 -0.5495 0.2591 0.2616 0.4276 0.4297 0.9126 0.9146 4.6822 4.6822 8.3681 8.3713 8.5480 8.5514 10.8807 10.8809 k = 0.1887 0.0992-0.0359 ( 12202 PWs) bands (ev): -41.7231 -41.7231 -21.8142 -21.8142 -20.2212 -20.2212 -19.4217 -19.4217 -19.0774 -19.0774 -17.2670 -17.2670 -10.7755 -10.7753 -7.6858 -7.6857 -6.7768 -6.7763 -5.4643 -5.4640 -4.8298 -4.8284 -4.5218 -4.5188 -3.7368 -3.7353 -3.3761 -3.3731 -3.0350 -3.0331 -2.7654 -2.7627 -1.2717 -1.2703 -1.1517 -1.1499 -0.5478 -0.5469 0.2633 0.2658 0.4252 0.4273 0.9112 0.9133 4.6780 4.6780 8.3126 8.3152 8.5216 8.5244 10.8662 10.8664 k = 0.1792 0.0942-0.0341 ( 12205 PWs) bands (ev): -41.7232 -41.7232 -21.8181 -21.8181 -20.2223 -20.2222 -19.4234 -19.4234 -19.0782 -19.0782 -17.2670 -17.2669 -10.7753 -10.7752 -7.6882 -7.6881 -6.7751 -6.7746 -5.4658 -5.4655 -4.8244 -4.8231 -4.4854 -4.4826 -3.7373 -3.7358 -3.3745 -3.3714 -3.0377 -3.0357 -2.7543 -2.7518 -1.2529 -1.2516 -1.1465 -1.1447 -0.5453 -0.5444 0.2670 0.2696 0.4231 0.4251 0.9099 0.9119 4.6736 4.6737 8.2519 8.2540 8.5025 8.5048 10.8528 10.8530 k = 0.1698 0.0893-0.0323 ( 12213 PWs) bands (ev): -41.7233 -41.7233 -21.8219 -21.8219 -20.2232 -20.2232 -19.4251 -19.4251 -19.0789 -19.0789 -17.2669 -17.2669 -10.7752 -10.7751 -7.6906 -7.6905 -6.7735 -6.7730 -5.4673 -5.4670 -4.8198 -4.8186 -4.4491 -4.4463 -3.7380 -3.7364 -3.3727 -3.3696 -3.0405 -3.0384 -2.7431 -2.7407 -1.2351 -1.2338 -1.1410 -1.1393 -0.5428 -0.5419 0.2702 0.2728 0.4213 0.4232 0.9085 0.9106 4.6692 4.6693 8.1894 8.1911 8.4877 8.4896 10.8406 10.8408 k = 0.1604 0.0843-0.0306 ( 12206 PWs) bands (ev): -41.7234 -41.7234 -21.8256 -21.8256 -20.2242 -20.2242 -19.4267 -19.4267 -19.0797 -19.0797 -17.2668 -17.2668 -10.7751 -10.7750 -7.6928 -7.6927 -6.7719 -6.7714 -5.4688 -5.4685 -4.8159 -4.8148 -4.4131 -4.4104 -3.7389 -3.7373 -3.3707 -3.3677 -3.0434 -3.0412 -2.7318 -2.7295 -1.2184 -1.2172 -1.1350 -1.1334 -0.5404 -0.5396 0.2728 0.2753 0.4199 0.4218 0.9071 0.9092 4.6648 4.6648 8.1270 8.1284 8.4753 8.4769 10.8297 10.8299 k = 0.1509 0.0794-0.0288 ( 12211 PWs) bands (ev): -41.7234 -41.7234 -21.8292 -21.8292 -20.2251 -20.2251 -19.4283 -19.4283 -19.0804 -19.0803 -17.2668 -17.2668 -10.7751 -10.7749 -7.6950 -7.6949 -6.7703 -6.7699 -5.4702 -5.4699 -4.8124 -4.8115 -4.3777 -4.3752 -3.7399 -3.7383 -3.3686 -3.3656 -3.0463 -3.0440 -2.7205 -2.7183 -1.2032 -1.2021 -1.1283 -1.1268 -0.5381 -0.5373 0.2746 0.2772 0.4190 0.4208 0.9058 0.9079 4.6603 4.6604 8.0658 8.0670 8.4646 8.4659 10.8203 10.8205 k = 0.1415 0.0744-0.0270 ( 12213 PWs) bands (ev): -41.7235 -41.7235 -21.8326 -21.8326 -20.2260 -20.2260 -19.4298 -19.4298 -19.0810 -19.0810 -17.2667 -17.2667 -10.7750 -10.7749 -7.6970 -7.6969 -6.7689 -6.7685 -5.4715 -5.4713 -4.8094 -4.8086 -4.3433 -4.3408 -3.7411 -3.7395 -3.3663 -3.3633 -3.0492 -3.0469 -2.7093 -2.7073 -1.1898 -1.1889 -1.1205 -1.1192 -0.5360 -0.5352 0.2757 0.2782 0.4186 0.4204 0.9044 0.9065 4.6560 4.6560 8.0066 8.0075 8.4549 8.4561 10.8125 10.8127 k = 0.1321 0.0694-0.0252 ( 12212 PWs) bands (ev): -41.7235 -41.7235 -21.8358 -21.8358 -20.2268 -20.2268 -19.4312 -19.4312 -19.0817 -19.0817 -17.2667 -17.2667 -10.7750 -10.7749 -7.6990 -7.6989 -6.7675 -6.7671 -5.4728 -5.4726 -4.8067 -4.8060 -4.3099 -4.3075 -3.7424 -3.7408 -3.3639 -3.3609 -3.0522 -3.0498 -2.6983 -2.6964 -1.1784 -1.1778 -1.1115 -1.1105 -0.5339 -0.5331 0.2760 0.2785 0.4188 0.4205 0.9031 0.9052 4.6517 4.6518 7.9497 7.9505 8.4462 8.4472 10.8062 10.8064 k = 0.1226 0.0645-0.0234 ( 12210 PWs) bands (ev): -41.7236 -41.7236 -21.8389 -21.8389 -20.2276 -20.2276 -19.4326 -19.4326 -19.0823 -19.0823 -17.2667 -17.2667 -10.7750 -10.7749 -7.7008 -7.7007 -6.7662 -6.7658 -5.4740 -5.4738 -4.8044 -4.8037 -4.2778 -4.2756 -3.7439 -3.7423 -3.3613 -3.3584 -3.0551 -3.0527 -2.6876 -2.6858 -1.1691 -1.1687 -1.1014 -1.1007 -0.5320 -0.5312 0.2756 0.2780 0.4195 0.4212 0.9018 0.9038 4.6476 4.6476 7.8956 7.8963 8.4382 8.4390 10.8016 10.8018 k = 0.1132 0.0595-0.0216 ( 12212 PWs) bands (ev): -41.7237 -41.7237 -21.8418 -21.8418 -20.2284 -20.2284 -19.4338 -19.4338 -19.0828 -19.0828 -17.2666 -17.2666 -10.7751 -10.7750 -7.7025 -7.7024 -6.7649 -6.7646 -5.4751 -5.4749 -4.8022 -4.8016 -4.2472 -4.2451 -3.7456 -3.7440 -3.3586 -3.3558 -3.0581 -3.0557 -2.6772 -2.6756 -1.1616 -1.1615 -1.0905 -1.0900 -0.5302 -0.5295 0.2745 0.2768 0.4207 0.4223 0.9006 0.9025 4.6436 4.6437 7.8445 7.8451 8.4309 8.4316 10.7986 10.7988 k = 0.1038 0.0546-0.0198 ( 12215 PWs) bands (ev): -41.7237 -41.7237 -21.8445 -21.8445 -20.2291 -20.2291 -19.4350 -19.4350 -19.0834 -19.0834 -17.2666 -17.2666 -10.7751 -10.7750 -7.7041 -7.7040 -6.7638 -6.7635 -5.4762 -5.4760 -4.8003 -4.7998 -4.2183 -4.2162 -3.7474 -3.7458 -3.3559 -3.3531 -3.0610 -3.0586 -2.6673 -2.6658 -1.1558 -1.1556 -1.0792 -1.0789 -0.5285 -0.5278 0.2729 0.2750 0.4223 0.4239 0.8994 0.9013 4.6399 4.6400 7.7967 7.7972 8.4241 8.4248 10.7972 10.7975 k = 0.0943 0.0496-0.0180 ( 12217 PWs) bands (ev): -41.7238 -41.7238 -21.8470 -21.8469 -20.2297 -20.2297 -19.4361 -19.4361 -19.0839 -19.0838 -17.2666 -17.2666 -10.7752 -10.7751 -7.7056 -7.7055 -6.7627 -6.7625 -5.4771 -5.4770 -4.7987 -4.7982 -4.1911 -4.1892 -3.7493 -3.7478 -3.3531 -3.3504 -3.0639 -3.0616 -2.6579 -2.6566 -1.1511 -1.1509 -1.0680 -1.0679 -0.5269 -0.5263 0.2708 0.2728 0.4243 0.4257 0.8983 0.9000 4.6364 4.6365 7.7524 7.7528 8.4180 8.4186 10.7975 10.7977 k = 0.0849 0.0446-0.0162 ( 12214 PWs) bands (ev): -41.7238 -41.7238 -21.8492 -21.8492 -20.2303 -20.2303 -19.4371 -19.4371 -19.0843 -19.0843 -17.2666 -17.2666 -10.7752 -10.7751 -7.7069 -7.7068 -6.7618 -6.7615 -5.4780 -5.4779 -4.7972 -4.7967 -4.1659 -4.1641 -3.7513 -3.7498 -3.3502 -3.3477 -3.0666 -3.0644 -2.6492 -2.6480 -1.1473 -1.1470 -1.0572 -1.0571 -0.5255 -0.5250 0.2683 0.2702 0.4264 0.4278 0.8972 0.8989 4.6332 4.6333 7.7117 7.7120 8.4125 8.4129 10.7992 10.7995 k = 0.0755 0.0397-0.0144 ( 12210 PWs) bands (ev): -41.7238 -41.7238 -21.8513 -21.8513 -20.2308 -20.2308 -19.4380 -19.4379 -19.0847 -19.0847 -17.2665 -17.2665 -10.7753 -10.7752 -7.7081 -7.7080 -6.7609 -6.7607 -5.4788 -5.4787 -4.7958 -4.7954 -4.1428 -4.1411 -3.7533 -3.7520 -3.3474 -3.3451 -3.0693 -3.0672 -2.6412 -2.6401 -1.1441 -1.1437 -1.0471 -1.0470 -0.5243 -0.5238 0.2657 0.2674 0.4287 0.4299 0.8962 0.8978 4.6303 4.6304 7.6748 7.6751 8.4075 8.4079 10.8024 10.8026 k = 0.0660 0.0347-0.0126 ( 12204 PWs) bands (ev): -41.7239 -41.7239 -21.8531 -21.8531 -20.2313 -20.2313 -19.4387 -19.4387 -19.0851 -19.0851 -17.2665 -17.2665 -10.7753 -10.7753 -7.7091 -7.7091 -6.7601 -6.7599 -5.4796 -5.4795 -4.7947 -4.7943 -4.1219 -4.1203 -3.7554 -3.7541 -3.3447 -3.3425 -3.0717 -3.0698 -2.6339 -2.6329 -1.1414 -1.1411 -1.0378 -1.0377 -0.5232 -0.5227 0.2631 0.2646 0.4309 0.4321 0.8954 0.8967 4.6277 4.6277 7.6420 7.6422 8.4031 8.4034 10.8068 10.8071 k = 0.0566 0.0298-0.0108 ( 12207 PWs) bands (ev): -41.7239 -41.7239 -21.8547 -21.8547 -20.2317 -20.2317 -19.4394 -19.4394 -19.0854 -19.0854 -17.2665 -17.2665 -10.7754 -10.7753 -7.7101 -7.7100 -6.7594 -6.7593 -5.4802 -5.4801 -4.7937 -4.7934 -4.1034 -4.1020 -3.7574 -3.7562 -3.3421 -3.3402 -3.0740 -3.0722 -2.6275 -2.6266 -1.1392 -1.1388 -1.0296 -1.0294 -0.5222 -0.5218 0.2606 0.2619 0.4331 0.4341 0.8946 0.8958 4.6254 4.6254 7.6132 7.6134 8.3993 8.3996 10.8123 10.8125 k = 0.0472 0.0248-0.0090 ( 12210 PWs) bands (ev): -41.7239 -41.7239 -21.8561 -21.8561 -20.2321 -20.2321 -19.4400 -19.4400 -19.0857 -19.0856 -17.2665 -17.2665 -10.7755 -10.7754 -7.7109 -7.7108 -6.7588 -6.7587 -5.4807 -5.4806 -4.7928 -4.7926 -4.0874 -4.0862 -3.7592 -3.7582 -3.3397 -3.3381 -3.0759 -3.0744 -2.6219 -2.6212 -1.1373 -1.1370 -1.0224 -1.0222 -0.5214 -0.5211 0.2582 0.2593 0.4351 0.4360 0.8939 0.8950 4.6234 4.6235 7.5887 7.5889 8.3960 8.3963 10.8185 10.8188 k = 0.0377 0.0198-0.0072 ( 12212 PWs) bands (ev): -41.7240 -41.7240 -21.8572 -21.8572 -20.2323 -20.2323 -19.4405 -19.4405 -19.0859 -19.0859 -17.2665 -17.2665 -10.7755 -10.7755 -7.7115 -7.7115 -6.7584 -6.7582 -5.4812 -5.4811 -4.7922 -4.7920 -4.0740 -4.0730 -3.7609 -3.7600 -3.3376 -3.3363 -3.0776 -3.0763 -2.6173 -2.6168 -1.1358 -1.1355 -1.0164 -1.0163 -0.5207 -0.5205 0.2562 0.2571 0.4368 0.4376 0.8934 0.8943 4.6218 4.6219 7.5685 7.5686 8.3933 8.3935 10.8252 10.8255 k = 0.0283 0.0149-0.0054 ( 12207 PWs) bands (ev): -41.7240 -41.7240 -21.8581 -21.8581 -20.2326 -20.2326 -19.4409 -19.4409 -19.0860 -19.0860 -17.2665 -17.2665 -10.7755 -10.7755 -7.7120 -7.7120 -6.7580 -6.7579 -5.4815 -5.4814 -4.7916 -4.7915 -4.0634 -4.0626 -3.7623 -3.7616 -3.3359 -3.3348 -3.0789 -3.0779 -2.6137 -2.6133 -1.1346 -1.1344 -1.0117 -1.0116 -0.5202 -0.5200 0.2545 0.2552 0.4383 0.4388 0.8930 0.8937 4.6206 4.6206 7.5527 7.5528 8.3913 8.3914 10.8319 10.8320 k = 0.0189 0.0099-0.0036 ( 12205 PWs) bands (ev): -41.7240 -41.7240 -21.8587 -21.8587 -20.2327 -20.2327 -19.4411 -19.4411 -19.0862 -19.0862 -17.2665 -17.2665 -10.7756 -10.7755 -7.7124 -7.7123 -6.7577 -6.7576 -5.4817 -5.4817 -4.7912 -4.7911 -4.0557 -4.0552 -3.7633 -3.7628 -3.3345 -3.3338 -3.0798 -3.0791 -2.6110 -2.6108 -1.1337 -1.1336 -1.0083 -1.0082 -0.5198 -0.5197 0.2533 0.2538 0.4394 0.4398 0.8928 0.8932 4.6197 4.6197 7.5414 7.5414 8.3898 8.3899 10.8377 10.8378 k = 0.0094 0.0050-0.0018 ( 12211 PWs) bands (ev): -41.7240 -41.7240 -21.8591 -21.8591 -20.2328 -20.2328 -19.4413 -19.4413 -19.0862 -19.0862 -17.2665 -17.2665 -10.7756 -10.7756 -7.7126 -7.7126 -6.7575 -6.7575 -5.4819 -5.4819 -4.7910 -4.7910 -4.0510 -4.0507 -3.7639 -3.7637 -3.3336 -3.3333 -3.0803 -3.0799 -2.6094 -2.6093 -1.1332 -1.1331 -1.0062 -1.0062 -0.5196 -0.5195 0.2526 0.2529 0.4401 0.4403 0.8927 0.8929 4.6191 4.6191 7.5346 7.5346 8.3889 8.3890 10.8418 10.8419 k = 0.0000 0.0000 0.0000 ( 12209 PWs) bands (ev): -41.7240 -41.7240 -21.8592 -21.8592 -20.2329 -20.2329 -19.4414 -19.4414 -19.0863 -19.0863 -17.2665 -17.2665 -10.7756 -10.7756 -7.7126 -7.7126 -6.7575 -6.7575 -5.4819 -5.4819 -4.7909 -4.7909 -4.0493 -4.0493 -3.7640 -3.7640 -3.3332 -3.3332 -3.0803 -3.0803 -2.6088 -2.6088 -1.1330 -1.1330 -1.0055 -1.0055 -0.5195 -0.5195 0.2525 0.2525 0.4404 0.4404 0.8927 0.8927 4.6189 4.6189 7.5323 7.5323 8.3887 8.3887 10.8433 10.8433 k = 0.0000 0.0000 0.0000 ( 12209 PWs) bands (ev): -41.7240 -41.7240 -21.8592 -21.8592 -20.2329 -20.2329 -19.4414 -19.4414 -19.0863 -19.0863 -17.2665 -17.2665 -10.7756 -10.7756 -7.7126 -7.7126 -6.7575 -6.7575 -5.4819 -5.4819 -4.7909 -4.7909 -4.0493 -4.0493 -3.7640 -3.7640 -3.3332 -3.3332 -3.0803 -3.0803 -2.6088 -2.6088 -1.1330 -1.1330 -1.0055 -1.0055 -0.5195 -0.5195 0.2525 0.2525 0.4404 0.4404 0.8927 0.8927 4.6189 4.6189 7.5323 7.5323 8.3887 8.3887 10.8433 10.8433 k = 0.0000 0.0000 0.0105 ( 12211 PWs) bands (ev): -41.7240 -41.7240 -21.8592 -21.8592 -20.2329 -20.2329 -19.4414 -19.4414 -19.0863 -19.0863 -17.2664 -17.2664 -10.7756 -10.7756 -7.7126 -7.7125 -6.7575 -6.7575 -5.4821 -5.4820 -4.7907 -4.7905 -4.0494 -4.0494 -3.7648 -3.7646 -3.3355 -3.3348 -3.0780 -3.0774 -2.6087 -2.6086 -1.1336 -1.1336 -1.0051 -1.0050 -0.5198 -0.5197 0.2522 0.2525 0.4399 0.4403 0.8931 0.8932 4.6191 4.6191 7.5338 7.5339 8.3884 8.3884 10.7880 10.7881 k = 0.0000 0.0000 0.0210 ( 12207 PWs) bands (ev): -41.7240 -41.7240 -21.8592 -21.8592 -20.2328 -20.2328 -19.4417 -19.4417 -19.0862 -19.0862 -17.2662 -17.2662 -10.7756 -10.7756 -7.7123 -7.7123 -6.7577 -6.7577 -5.4825 -5.4823 -4.7900 -4.7896 -4.0497 -4.0495 -3.7670 -3.7667 -3.3413 -3.3399 -3.0705 -3.0695 -2.6083 -2.6081 -1.1354 -1.1353 -1.0036 -1.0034 -0.5208 -0.5205 0.2518 0.2524 0.4388 0.4395 0.8944 0.8945 4.6194 4.6195 7.5385 7.5386 8.3875 8.3876 10.7002 10.7003 k = 0.0000 0.0000 0.0315 ( 12200 PWs) bands (ev): -41.7240 -41.7240 -21.8591 -21.8591 -20.2328 -20.2328 -19.4421 -19.4421 -19.0861 -19.0861 -17.2659 -17.2659 -10.7756 -10.7756 -7.7120 -7.7119 -6.7580 -6.7580 -5.4832 -5.4829 -4.7887 -4.7881 -4.0501 -4.0499 -3.7707 -3.7702 -3.3498 -3.3479 -3.0588 -3.0574 -2.6076 -2.6073 -1.1383 -1.1381 -1.0012 -1.0010 -0.5223 -0.5219 0.2511 0.2521 0.4371 0.4382 0.8965 0.8967 4.6201 4.6201 7.5464 7.5465 8.3862 8.3864 10.6079 10.6079 k = 0.0000 0.0000 0.0421 ( 12190 PWs) bands (ev): -41.7240 -41.7240 -21.8590 -21.8590 -20.2328 -20.2328 -19.4427 -19.4427 -19.0860 -19.0860 -17.2654 -17.2654 -10.7756 -10.7756 -7.7114 -7.7113 -6.7585 -6.7584 -5.4842 -5.4837 -4.7868 -4.7860 -4.0507 -4.0504 -3.7757 -3.7750 -3.3601 -3.3578 -3.0438 -3.0420 -2.6065 -2.6061 -1.1420 -1.1419 -0.9981 -0.9978 -0.5244 -0.5239 0.2503 0.2515 0.4349 0.4364 0.8995 0.8997 4.6209 4.6210 7.5573 7.5575 8.3844 8.3846 10.5144 10.5144 k = 0.0000 0.0000 0.0526 ( 12188 PWs) bands (ev): -41.7240 -41.7240 -21.8589 -21.8589 -20.2328 -20.2328 -19.4434 -19.4434 -19.0859 -19.0858 -17.2648 -17.2648 -10.7756 -10.7756 -7.7107 -7.7106 -6.7590 -6.7589 -5.4854 -5.4848 -4.7844 -4.7834 -4.0515 -4.0511 -3.7820 -3.7812 -3.3714 -3.3688 -3.0263 -3.0244 -2.6051 -2.6047 -1.1466 -1.1463 -0.9945 -0.9941 -0.5270 -0.5264 0.2493 0.2509 0.4322 0.4340 0.9032 0.9035 4.6221 4.6222 7.5712 7.5715 8.3821 8.3824 10.4206 10.4207 k = 0.0000 0.0000 0.0631 ( 12194 PWs) bands (ev): -41.7240 -41.7240 -21.8587 -21.8587 -20.2328 -20.2328 -19.4442 -19.4442 -19.0857 -19.0857 -17.2641 -17.2641 -10.7756 -10.7756 -7.7099 -7.7097 -6.7597 -6.7595 -5.4868 -5.4862 -4.7814 -4.7803 -4.0524 -4.0519 -3.7896 -3.7886 -3.3829 -3.3801 -3.0073 -3.0052 -2.6035 -2.6029 -1.1516 -1.1514 -0.9904 -0.9900 -0.5301 -0.5294 0.2482 0.2500 0.4290 0.4311 0.9077 0.9080 4.6234 4.6235 7.5882 7.5884 8.3794 8.3797 10.3272 10.3273 k = 0.0000 0.0000 0.0736 ( 12189 PWs) bands (ev): -41.7240 -41.7240 -21.8586 -21.8586 -20.2328 -20.2328 -19.4452 -19.4452 -19.0855 -19.0855 -17.2633 -17.2633 -10.7756 -10.7755 -7.7089 -7.7087 -6.7604 -6.7602 -5.4884 -5.4877 -4.7780 -4.7766 -4.0535 -4.0530 -3.7983 -3.7972 -3.3942 -3.3913 -2.9873 -2.9851 -2.6015 -2.6008 -1.1571 -1.1569 -0.9861 -0.9856 -0.5337 -0.5330 0.2470 0.2491 0.4254 0.4278 0.9128 0.9131 4.6249 4.6250 7.6080 7.6083 8.3763 8.3767 10.2344 10.2345 k = 0.0000 0.0000 0.0841 ( 12188 PWs) bands (ev): -41.7240 -41.7240 -21.8584 -21.8584 -20.2328 -20.2328 -19.4463 -19.4463 -19.0852 -19.0852 -17.2624 -17.2624 -10.7755 -10.7755 -7.7078 -7.7076 -6.7613 -6.7611 -5.4902 -5.4895 -4.7740 -4.7725 -4.0548 -4.0543 -3.8081 -3.8069 -3.4049 -3.4018 -2.9669 -2.9646 -2.5991 -2.5984 -1.1629 -1.1626 -0.9816 -0.9811 -0.5378 -0.5369 0.2457 0.2481 0.4214 0.4241 0.9185 0.9188 4.6266 4.6268 7.6307 7.6310 8.3729 8.3733 10.1424 10.1425 k = 0.0000 0.0000 0.0946 ( 12189 PWs) bands (ev): -41.7240 -41.7240 -21.8582 -21.8582 -20.2327 -20.2327 -19.4475 -19.4475 -19.0850 -19.0850 -17.2614 -17.2614 -10.7755 -10.7755 -7.7066 -7.7064 -6.7622 -6.7620 -5.4922 -5.4914 -4.7695 -4.7679 -4.0565 -4.0559 -3.8187 -3.8174 -3.4146 -3.4116 -2.9464 -2.9442 -2.5965 -2.5956 -1.1688 -1.1686 -0.9772 -0.9766 -0.5423 -0.5413 0.2445 0.2470 0.4172 0.4201 0.9246 0.9250 4.6285 4.6287 7.6561 7.6565 8.3692 8.3697 10.0515 10.0516 k = 0.0000 0.0000 0.1051 ( 12182 PWs) bands (ev): -41.7240 -41.7240 -21.8579 -21.8579 -20.2327 -20.2327 -19.4488 -19.4488 -19.0847 -19.0847 -17.2604 -17.2604 -10.7755 -10.7755 -7.7054 -7.7051 -6.7632 -6.7630 -5.4944 -5.4935 -4.7646 -4.7628 -4.0584 -4.0579 -3.8300 -3.8286 -3.4234 -3.4203 -2.9263 -2.9240 -2.5935 -2.5926 -1.1749 -1.1746 -0.9728 -0.9722 -0.5471 -0.5460 0.2432 0.2460 0.4127 0.4159 0.9312 0.9316 4.6305 4.6307 7.6841 7.6845 8.3653 8.3659 9.9617 9.9618 k = 0.0000 0.0000 0.1157 ( 12188 PWs) bands (ev): -41.7240 -41.7240 -21.8577 -21.8577 -20.2327 -20.2327 -19.4502 -19.4502 -19.0844 -19.0844 -17.2593 -17.2593 -10.7755 -10.7755 -7.7040 -7.7037 -6.7643 -6.7641 -5.4968 -5.4958 -4.7592 -4.7573 -4.0607 -4.0602 -3.8418 -3.8403 -3.4311 -3.4281 -2.9067 -2.9045 -2.5901 -2.5892 -1.1808 -1.1806 -0.9686 -0.9679 -0.5521 -0.5511 0.2419 0.2449 0.4082 0.4115 0.9381 0.9385 4.6326 4.6328 7.7146 7.7151 8.3613 8.3619 9.8731 9.8733 k = 0.0000 0.0000 0.1262 ( 12187 PWs) bands (ev): -41.7240 -41.7240 -21.8575 -21.8575 -20.2327 -20.2327 -19.4516 -19.4516 -19.0841 -19.0841 -17.2581 -17.2581 -10.7755 -10.7754 -7.7026 -7.7023 -6.7655 -6.7652 -5.4992 -5.4982 -4.7534 -4.7514 -4.0634 -4.0629 -3.8538 -3.8523 -3.4376 -3.4347 -2.8880 -2.8858 -2.5865 -2.5855 -1.1867 -1.1864 -0.9646 -0.9639 -0.5574 -0.5563 0.2407 0.2438 0.4035 0.4070 0.9451 0.9456 4.6348 4.6350 7.7475 7.7480 8.3572 8.3579 9.7860 9.7862 k = 0.0000 0.0000 0.1367 ( 12185 PWs) bands (ev): -41.7240 -41.7240 -21.8572 -21.8572 -20.2326 -20.2326 -19.4530 -19.4530 -19.0837 -19.0837 -17.2570 -17.2570 -10.7754 -10.7754 -7.7012 -7.7009 -6.7667 -6.7664 -5.5017 -5.5007 -4.7472 -4.7452 -4.0666 -4.0662 -3.8657 -3.8642 -3.4431 -3.4403 -2.8703 -2.8681 -2.5825 -2.5815 -1.1924 -1.1922 -0.9608 -0.9601 -0.5629 -0.5617 0.2397 0.2429 0.3988 0.4024 0.9523 0.9528 4.6371 4.6372 7.7826 7.7832 8.3530 8.3538 9.7004 9.7006 k = 0.0000 0.0000 0.1472 ( 12184 PWs) bands (ev): -41.7240 -41.7240 -21.8570 -21.8570 -20.2326 -20.2326 -19.4545 -19.4545 -19.0834 -19.0834 -17.2558 -17.2558 -10.7754 -10.7754 -7.6997 -7.6994 -6.7679 -6.7677 -5.5043 -5.5033 -4.7407 -4.7386 -4.0704 -4.0700 -3.8774 -3.8758 -3.4476 -3.4449 -2.8537 -2.8516 -2.5783 -2.5772 -1.1980 -1.1977 -0.9574 -0.9567 -0.5684 -0.5672 0.2387 0.2420 0.3942 0.3978 0.9595 0.9600 4.6393 4.6395 7.8197 7.8204 8.3490 8.3499 9.6164 9.6167 k = 0.0000 0.0000 0.1577 ( 12188 PWs) bands (ev): -41.7240 -41.7240 -21.8567 -21.8567 -20.2326 -20.2326 -19.4560 -19.4560 -19.0831 -19.0831 -17.2547 -17.2547 -10.7754 -10.7753 -7.6982 -7.6979 -6.7691 -6.7689 -5.5069 -5.5059 -4.7339 -4.7318 -4.0749 -4.0745 -3.8885 -3.8869 -3.4512 -3.4486 -2.8384 -2.8364 -2.5739 -2.5727 -1.2032 -1.2030 -0.9542 -0.9535 -0.5739 -0.5728 0.2379 0.2412 0.3897 0.3933 0.9667 0.9671 4.6416 4.6417 7.8588 7.8595 8.3451 8.3460 9.5342 9.5345 k = 0.0000 0.0000 0.1682 ( 12193 PWs) bands (ev): -41.7240 -41.7240 -21.8565 -21.8565 -20.2325 -20.2325 -19.4574 -19.4574 -19.0827 -19.0827 -17.2535 -17.2535 -10.7753 -10.7753 -7.6968 -7.6965 -6.7704 -6.7701 -5.5095 -5.5086 -4.7270 -4.7249 -4.0800 -4.0797 -3.8988 -3.8973 -3.4539 -3.4515 -2.8244 -2.8225 -2.5692 -2.5681 -1.2082 -1.2080 -0.9515 -0.9507 -0.5793 -0.5782 0.2372 0.2405 0.3853 0.3889 0.9736 0.9740 4.6438 4.6439 7.8994 7.9002 8.3414 8.3425 9.4539 9.4542 k = 0.0000 0.0000 0.1787 ( 12197 PWs) bands (ev): -41.7240 -41.7240 -21.8562 -21.8562 -20.2325 -20.2325 -19.4588 -19.4588 -19.0824 -19.0824 -17.2524 -17.2524 -10.7753 -10.7753 -7.6954 -7.6951 -6.7716 -6.7714 -5.5120 -5.5111 -4.7199 -4.7178 -4.0858 -4.0855 -3.9082 -3.9067 -3.4559 -3.4536 -2.8118 -2.8100 -2.5645 -2.5634 -1.2128 -1.2126 -0.9490 -0.9483 -0.5846 -0.5835 0.2367 0.2399 0.3812 0.3847 0.9803 0.9807 4.6459 4.6461 7.9415 7.9424 8.3380 8.3392 9.3757 9.3760 k = 0.0000 0.0000 0.1893 ( 12200 PWs) bands (ev): -41.7240 -41.7240 -21.8560 -21.8560 -20.2324 -20.2324 -19.4601 -19.4601 -19.0821 -19.0821 -17.2514 -17.2514 -10.7753 -10.7752 -7.6940 -7.6938 -6.7728 -6.7725 -5.5145 -5.5136 -4.7128 -4.7108 -4.0922 -4.0918 -3.9165 -3.9151 -3.4572 -3.4552 -2.8006 -2.7989 -2.5598 -2.5587 -1.2171 -1.2169 -0.9469 -0.9462 -0.5896 -0.5885 0.2364 0.2395 0.3773 0.3807 0.9866 0.9870 4.6480 4.6481 7.9846 7.9856 8.3351 8.3364 9.2997 9.3001 k = 0.0000 0.0000 0.1998 ( 12202 PWs) bands (ev): -41.7240 -41.7240 -21.8558 -21.8558 -20.2324 -20.2324 -19.4613 -19.4613 -19.0818 -19.0818 -17.2504 -17.2504 -10.7752 -10.7752 -7.6928 -7.6925 -6.7739 -6.7737 -5.5168 -5.5160 -4.7058 -4.7040 -4.0990 -4.0986 -3.9236 -3.9223 -3.4581 -3.4563 -2.7907 -2.7892 -2.5551 -2.5541 -1.2209 -1.2208 -0.9451 -0.9445 -0.5943 -0.5933 0.2362 0.2391 0.3738 0.3770 0.9925 0.9928 4.6499 4.6500 8.0283 8.0294 8.3327 8.3343 9.2264 9.2268 k = 0.0000 0.0000 0.2103 ( 12197 PWs) bands (ev): -41.7240 -41.7240 -21.8556 -21.8556 -20.2324 -20.2324 -19.4625 -19.4625 -19.0815 -19.0815 -17.2496 -17.2496 -10.7752 -10.7752 -7.6916 -7.6914 -6.7749 -6.7747 -5.5189 -5.5182 -4.6991 -4.6974 -4.1059 -4.1055 -3.9296 -3.9285 -3.4585 -3.4569 -2.7822 -2.7808 -2.5506 -2.5497 -1.2244 -1.2243 -0.9436 -0.9430 -0.5986 -0.5977 0.2361 0.2388 0.3706 0.3735 0.9979 0.9982 4.6516 4.6517 8.0720 8.0733 8.3312 8.3329 9.1560 9.1564 k = 0.0000 0.0000 0.2208 ( 12203 PWs) bands (ev): -41.7240 -41.7240 -21.8554 -21.8554 -20.2323 -20.2323 -19.4635 -19.4635 -19.0813 -19.0813 -17.2488 -17.2488 -10.7752 -10.7751 -7.6906 -7.6904 -6.7758 -6.7757 -5.5209 -5.5203 -4.6928 -4.6912 -4.1128 -4.1124 -3.9346 -3.9335 -3.4587 -3.4573 -2.7750 -2.7737 -2.5465 -2.5457 -1.2274 -1.2273 -0.9424 -0.9418 -0.6024 -0.6016 0.2362 0.2386 0.3677 0.3704 1.0027 1.0030 4.6532 4.6533 8.1148 8.1163 8.3307 8.3327 9.0891 9.0896 k = 0.0000 0.0000 0.2313 ( 12209 PWs) bands (ev): -41.7240 -41.7240 -21.8553 -21.8553 -20.2323 -20.2323 -19.4644 -19.4644 -19.0811 -19.0811 -17.2481 -17.2481 -10.7751 -10.7751 -7.6897 -7.6895 -6.7767 -6.7765 -5.5226 -5.5220 -4.6870 -4.6857 -4.1193 -4.1189 -3.9385 -3.9376 -3.4586 -3.4574 -2.7689 -2.7679 -2.5427 -2.5420 -1.2300 -1.2299 -0.9414 -0.9410 -0.6057 -0.6050 0.2363 0.2384 0.3653 0.3676 1.0069 1.0071 4.6545 4.6546 8.1553 8.1570 8.3319 8.3341 9.0266 9.0271 k = 0.0000 0.0000 0.2418 ( 12213 PWs) bands (ev): -41.7240 -41.7240 -21.8552 -21.8552 -20.2323 -20.2323 -19.4651 -19.4651 -19.0809 -19.0809 -17.2475 -17.2475 -10.7751 -10.7751 -7.6889 -7.6887 -6.7774 -6.7772 -5.5240 -5.5236 -4.6820 -4.6809 -4.1252 -4.1248 -3.9415 -3.9408 -3.4584 -3.4575 -2.7641 -2.7633 -2.5395 -2.5389 -1.2322 -1.2321 -0.9407 -0.9403 -0.6085 -0.6079 0.2366 0.2383 0.3634 0.3653 1.0104 1.0106 4.6557 4.6557 8.1915 8.1934 8.3356 8.3380 8.9698 8.9703 k = 0.0000 0.0000 0.2523 ( 12218 PWs) bands (ev): -41.7240 -41.7240 -21.8551 -21.8551 -20.2323 -20.2323 -19.4657 -19.4657 -19.0807 -19.0807 -17.2471 -17.2471 -10.7751 -10.7751 -7.6883 -7.6882 -6.7779 -6.7778 -5.5251 -5.5248 -4.6779 -4.6770 -4.1300 -4.1297 -3.9437 -3.9432 -3.4582 -3.4574 -2.7604 -2.7597 -2.5369 -2.5365 -1.2338 -1.2338 -0.9401 -0.9398 -0.6107 -0.6102 0.2368 0.2382 0.3619 0.3634 1.0132 1.0133 4.6566 4.6566 8.2209 8.2228 8.3426 8.3450 8.9204 8.9209 k = 0.0000 0.0000 0.2629 ( 12215 PWs) bands (ev): -41.7240 -41.7240 -21.8550 -21.8550 -20.2323 -20.2323 -19.4662 -19.4662 -19.0806 -19.0806 -17.2467 -17.2467 -10.7751 -10.7751 -7.6878 -7.6877 -6.7783 -6.7782 -5.5259 -5.5257 -4.6748 -4.6742 -4.1337 -4.1335 -3.9452 -3.9448 -3.4579 -3.4574 -2.7577 -2.7573 -2.5350 -2.5346 -1.2350 -1.2350 -0.9397 -0.9395 -0.6122 -0.6119 0.2371 0.2380 0.3609 0.3619 1.0152 1.0153 4.6572 4.6573 8.2413 8.2429 8.3525 8.3544 8.8812 8.8816 k = 0.0000 0.0000 0.2734 ( 12216 PWs) bands (ev): -41.7240 -41.7240 -21.8550 -21.8550 -20.2322 -20.2322 -19.4664 -19.4664 -19.0806 -19.0806 -17.2465 -17.2465 -10.7750 -10.7750 -7.6875 -7.6875 -6.7785 -6.7785 -5.5264 -5.5263 -4.6728 -4.6725 -4.1359 -4.1358 -3.9460 -3.9458 -3.4577 -3.4574 -2.7561 -2.7559 -2.5337 -2.5336 -1.2357 -1.2357 -0.9395 -0.9394 -0.6131 -0.6130 0.2373 0.2378 0.3604 0.3609 1.0164 1.0165 4.6576 4.6577 8.2528 8.2536 8.3620 8.3631 8.8555 8.8557 k = 0.0000 0.0000 0.2839 ( 12220 PWs) bands (ev): -41.7240 -41.7240 -21.8549 -21.8549 -20.2322 -20.2322 -19.4665 -19.4665 -19.0805 -19.0805 -17.2465 -17.2465 -10.7750 -10.7750 -7.6874 -7.6874 -6.7786 -6.7786 -5.5265 -5.5265 -4.6720 -4.6720 -4.1366 -4.1366 -3.9462 -3.9462 -3.4575 -3.4575 -2.7555 -2.7555 -2.5333 -2.5333 -1.2360 -1.2360 -0.9393 -0.9393 -0.6134 -0.6134 0.2376 0.2376 0.3604 0.3604 1.0168 1.0168 4.6578 4.6578 8.2566 8.2566 8.3663 8.3663 8.8466 8.8466 k = 0.5000-0.0786 0.2538 ( 12192 PWs) bands (ev): -41.7213 -41.7213 -21.6812 -21.6812 -20.1875 -20.1875 -19.5612 -19.5612 -19.0133 -19.0133 -17.1537 -17.1537 -10.3704 -10.3704 -7.8852 -7.8852 -7.3168 -7.3168 -5.5281 -5.5281 -5.1859 -5.1859 -4.9233 -4.9233 -3.7042 -3.7042 -3.4396 -3.4396 -3.3441 -3.3441 -2.8954 -2.8954 -1.6231 -1.6231 -1.2779 -1.2779 -0.7576 -0.7576 0.1773 0.1773 0.9701 0.9701 1.1250 1.1250 5.1864 5.1864 8.2266 8.2266 10.5737 10.5737 10.9212 10.9212 k = 0.4906-0.0771 0.2490 ( 12191 PWs) bands (ev): -41.7213 -41.7213 -21.6814 -21.6814 -20.1876 -20.1875 -19.5611 -19.5611 -19.0133 -19.0133 -17.1538 -17.1538 -10.3709 -10.3709 -7.8846 -7.8845 -7.3169 -7.3168 -5.5282 -5.5281 -5.1851 -5.1850 -4.9228 -4.9227 -3.7041 -3.7039 -3.4413 -3.4402 -3.3438 -3.3430 -2.8950 -2.8948 -1.6227 -1.6227 -1.2779 -1.2777 -0.7576 -0.7574 0.1774 0.1774 0.9696 0.9702 1.1243 1.1247 5.1861 5.1861 8.2269 8.2269 10.5659 10.5661 10.9237 10.9241 k = 0.4811-0.0756 0.2442 ( 12187 PWs) bands (ev): -41.7213 -41.7213 -21.6819 -21.6819 -20.1878 -20.1878 -19.5607 -19.5607 -19.0135 -19.0135 -17.1541 -17.1541 -10.3722 -10.3722 -7.8826 -7.8825 -7.3172 -7.3170 -5.5284 -5.5281 -5.1827 -5.1826 -4.9212 -4.9209 -3.7035 -3.7030 -3.4450 -3.4429 -3.3421 -3.3405 -2.8937 -2.8932 -1.6214 -1.6214 -1.2776 -1.2773 -0.7573 -0.7569 0.1777 0.1779 0.9687 0.9698 1.1228 1.1236 5.1852 5.1852 8.2278 8.2279 10.5439 10.5444 10.9301 10.9309 k = 0.4717-0.0741 0.2394 ( 12194 PWs) bands (ev): -41.7213 -41.7213 -21.6827 -21.6827 -20.1882 -20.1882 -19.5600 -19.5600 -19.0137 -19.0137 -17.1546 -17.1546 -10.3745 -10.3744 -7.8793 -7.8792 -7.3177 -7.3174 -5.5286 -5.5282 -5.1786 -5.1785 -4.9184 -4.9180 -3.7025 -3.7018 -3.4505 -3.4476 -3.3390 -3.3368 -2.8915 -2.8907 -1.6193 -1.6192 -1.2772 -1.2767 -0.7567 -0.7561 0.1784 0.1787 0.9674 0.9690 1.1204 1.1216 5.1837 5.1837 8.2294 8.2294 10.5104 10.5110 10.9374 10.9385 k = 0.4623-0.0726 0.2347 ( 12194 PWs) bands (ev): -41.7213 -41.7213 -21.6838 -21.6838 -20.1887 -20.1887 -19.5591 -19.5590 -19.0140 -19.0140 -17.1554 -17.1554 -10.3776 -10.3775 -7.8747 -7.8745 -7.3182 -7.3179 -5.5288 -5.5283 -5.1729 -5.1728 -4.9145 -4.9140 -3.7011 -3.7002 -3.4575 -3.4539 -3.3348 -3.3322 -2.8884 -2.8874 -1.6163 -1.6161 -1.2765 -1.2758 -0.7559 -0.7550 0.1793 0.1797 0.9656 0.9677 1.1171 1.1188 5.1815 5.1816 8.2315 8.2316 10.4680 10.4686 10.9421 10.9433 k = 0.4528-0.0712 0.2299 ( 12196 PWs) bands (ev): -41.7213 -41.7213 -21.6852 -21.6852 -20.1894 -20.1893 -19.5579 -19.5578 -19.0145 -19.0145 -17.1563 -17.1563 -10.3816 -10.3815 -7.8688 -7.8687 -7.3189 -7.3185 -5.5291 -5.5285 -5.1656 -5.1654 -4.9096 -4.9089 -3.6995 -3.6983 -3.4656 -3.4615 -3.3296 -3.3267 -2.8846 -2.8834 -1.6124 -1.6123 -1.2755 -1.2748 -0.7548 -0.7537 0.1805 0.1810 0.9634 0.9660 1.1130 1.1151 5.1788 5.1788 8.2342 8.2343 10.4187 10.4193 10.9416 10.9427 k = 0.4434-0.0697 0.2251 ( 12193 PWs) bands (ev): -41.7214 -41.7214 -21.6870 -21.6870 -20.1901 -20.1901 -19.5564 -19.5564 -19.0150 -19.0150 -17.1574 -17.1574 -10.3864 -10.3863 -7.8618 -7.8616 -7.3197 -7.3192 -5.5294 -5.5286 -5.1568 -5.1566 -4.9037 -4.9028 -3.6977 -3.6964 -3.4744 -3.4700 -3.3236 -3.3206 -2.8802 -2.8787 -1.6077 -1.6075 -1.2744 -1.2734 -0.7534 -0.7521 0.1820 0.1825 0.9607 0.9638 1.1081 1.1107 5.1754 5.1755 8.2375 8.2376 10.3639 10.3645 10.9344 10.9356 k = 0.4340-0.0682 0.2203 ( 12197 PWs) bands (ev): -41.7214 -41.7214 -21.6890 -21.6890 -20.1911 -20.1911 -19.5547 -19.5547 -19.0156 -19.0156 -17.1588 -17.1588 -10.3920 -10.3919 -7.8537 -7.8535 -7.3204 -7.3198 -5.5296 -5.5288 -5.1464 -5.1461 -4.8967 -4.8957 -3.6961 -3.6945 -3.4837 -3.4790 -3.3168 -3.3137 -2.8753 -2.8736 -1.6022 -1.6019 -1.2730 -1.2719 -0.7517 -0.7502 0.1837 0.1843 0.9574 0.9610 1.1026 1.1055 5.1715 5.1715 8.2412 8.2413 10.3047 10.3053 10.9207 10.9217 k = 0.4245-0.0667 0.2155 ( 12195 PWs) bands (ev): -41.7214 -41.7214 -21.6914 -21.6914 -20.1921 -20.1921 -19.5528 -19.5528 -19.0163 -19.0163 -17.1603 -17.1603 -10.3983 -10.3982 -7.8446 -7.8444 -7.3211 -7.3204 -5.5299 -5.5289 -5.1345 -5.1341 -4.8889 -4.8877 -3.6948 -3.6931 -3.4929 -3.4880 -3.3093 -3.3062 -2.8700 -2.8681 -1.5958 -1.5956 -1.2713 -1.2701 -0.7497 -0.7480 0.1857 0.1864 0.9535 0.9577 1.0964 1.0998 5.1668 5.1669 8.2455 8.2456 10.2417 10.2423 10.9012 10.9022 k = 0.4151-0.0652 0.2107 ( 12199 PWs) bands (ev): -41.7215 -41.7215 -21.6940 -21.6940 -20.1933 -20.1933 -19.5507 -19.5506 -19.0171 -19.0171 -17.1620 -17.1620 -10.4054 -10.4053 -7.8346 -7.8343 -7.3216 -7.3209 -5.5301 -5.5290 -5.1210 -5.1207 -4.8802 -4.8789 -3.6942 -3.6923 -3.5018 -3.4968 -3.3011 -3.2980 -2.8644 -2.8624 -1.5886 -1.5884 -1.2694 -1.2680 -0.7474 -0.7456 0.1879 0.1887 0.9490 0.9536 1.0897 1.0934 5.1615 5.1616 8.2501 8.2502 10.1754 10.1760 10.8775 10.8784 k = 0.4057-0.0637 0.2059 ( 12203 PWs) bands (ev): -41.7215 -41.7215 -21.6969 -21.6969 -20.1945 -20.1945 -19.5483 -19.5483 -19.0180 -19.0180 -17.1639 -17.1639 -10.4132 -10.4131 -7.8238 -7.8235 -7.3219 -7.3211 -5.5302 -5.5290 -5.1062 -5.1058 -4.8708 -4.8693 -3.6946 -3.6925 -3.5098 -3.5048 -3.2922 -3.2892 -2.8587 -2.8566 -1.5807 -1.5804 -1.2672 -1.2657 -0.7448 -0.7429 0.1903 0.1912 0.9437 0.9488 1.0825 1.0867 5.1556 5.1556 8.2551 8.2552 10.1062 10.1068 10.8509 10.8518 k = 0.3962-0.0623 0.2011 ( 12210 PWs) bands (ev): -41.7216 -41.7216 -21.7000 -21.7000 -20.1958 -20.1958 -19.5458 -19.5458 -19.0190 -19.0190 -17.1660 -17.1660 -10.4216 -10.4215 -7.8124 -7.8120 -7.3219 -7.3209 -5.5302 -5.5289 -5.0899 -5.0895 -4.8606 -4.8590 -3.6964 -3.6942 -3.5164 -3.5115 -3.2826 -3.2796 -2.8531 -2.8509 -1.5720 -1.5716 -1.2647 -1.2631 -0.7420 -0.7398 0.1930 0.1940 0.9377 0.9432 1.0750 1.0795 5.1489 5.1490 8.2604 8.2606 10.0344 10.0350 10.8227 10.8236 k = 0.3868-0.0608 0.1963 ( 12204 PWs) bands (ev): -41.7216 -41.7216 -21.7035 -21.7034 -20.1972 -20.1972 -19.5431 -19.5431 -19.0201 -19.0201 -17.1682 -17.1682 -10.4306 -10.4304 -7.8005 -7.8001 -7.3214 -7.3204 -5.5301 -5.5288 -5.0723 -5.0718 -4.8499 -4.8481 -3.6999 -3.6977 -3.5213 -3.5166 -3.2722 -3.2693 -2.8476 -2.8452 -1.5625 -1.5622 -1.2620 -1.2603 -0.7388 -0.7365 0.1958 0.1969 0.9308 0.9367 1.0674 1.0722 5.1416 5.1417 8.2660 8.2661 9.9603 9.9609 10.7939 10.7948 k = 0.3774-0.0593 0.1916 ( 12202 PWs) bands (ev): -41.7217 -41.7217 -21.7071 -21.7071 -20.1987 -20.1987 -19.5403 -19.5402 -19.0213 -19.0212 -17.1706 -17.1706 -10.4401 -10.4400 -7.7882 -7.7878 -7.3202 -7.3192 -5.5299 -5.5285 -5.0533 -5.0528 -4.8386 -4.8367 -3.7053 -3.7031 -3.5241 -3.5198 -3.2611 -3.2583 -2.8423 -2.8399 -1.5523 -1.5520 -1.2589 -1.2571 -0.7353 -0.7329 0.1989 0.2001 0.9230 0.9292 1.0597 1.0647 5.1336 5.1337 8.2718 8.2719 9.8843 9.8848 10.7653 10.7663 k = 0.3679-0.0578 0.1868 ( 12199 PWs) bands (ev): -41.7217 -41.7217 -21.7110 -21.7110 -20.2002 -20.2002 -19.5373 -19.5372 -19.0225 -19.0225 -17.1731 -17.1731 -10.4501 -10.4499 -7.7759 -7.7754 -7.3184 -7.3173 -5.5296 -5.5281 -5.0331 -5.0325 -4.8269 -4.8248 -3.7127 -3.7104 -3.5249 -3.5209 -3.2493 -3.2465 -2.8373 -2.8348 -1.5414 -1.5411 -1.2555 -1.2537 -0.7316 -0.7291 0.2021 0.2034 0.9142 0.9206 1.0521 1.0572 5.1249 5.1250 8.2777 8.2779 9.8065 9.8070 10.7375 10.7384 k = 0.3585-0.0563 0.1820 ( 12200 PWs) bands (ev): -41.7218 -41.7218 -21.7151 -21.7150 -20.2017 -20.2017 -19.5342 -19.5341 -19.0239 -19.0238 -17.1757 -17.1757 -10.4605 -10.4604 -7.7635 -7.7630 -7.3157 -7.3145 -5.5292 -5.5276 -5.0118 -5.0111 -4.8148 -4.8125 -3.7220 -3.7196 -3.5236 -3.5201 -3.2366 -3.2340 -2.8327 -2.8302 -1.5299 -1.5295 -1.2519 -1.2499 -0.7275 -0.7249 0.2055 0.2069 0.9043 0.9109 1.0446 1.0498 5.1154 5.1155 8.2837 8.2839 9.7273 9.7277 10.7107 10.7116 k = 0.3491-0.0548 0.1772 ( 12205 PWs) bands (ev): -41.7218 -41.7218 -21.7193 -21.7193 -20.2033 -20.2033 -19.5310 -19.5309 -19.0253 -19.0253 -17.1785 -17.1785 -10.4713 -10.4712 -7.7514 -7.7509 -7.3119 -7.3106 -5.5286 -5.5269 -4.9893 -4.9885 -4.8024 -4.8000 -3.7328 -3.7304 -3.5206 -3.5175 -3.2233 -3.2207 -2.8286 -2.8260 -1.5177 -1.5173 -1.2478 -1.2458 -0.7231 -0.7204 0.2090 0.2106 0.8934 0.9000 1.0374 1.0426 5.1053 5.1054 8.2897 8.2899 9.6469 9.6473 10.6853 10.6862 k = 0.3396-0.0534 0.1724 ( 12212 PWs) bands (ev): -41.7219 -41.7219 -21.7238 -21.7238 -20.2049 -20.2049 -19.5277 -19.5276 -19.0268 -19.0268 -17.1814 -17.1814 -10.4825 -10.4823 -7.7398 -7.7393 -7.3069 -7.3056 -5.5279 -5.5262 -4.9659 -4.9650 -4.7898 -4.7871 -3.7447 -3.7422 -3.5162 -3.5135 -3.2091 -3.2066 -2.8250 -2.8224 -1.5050 -1.5045 -1.2435 -1.2414 -0.7185 -0.7157 0.2126 0.2143 0.8814 0.8879 1.0306 1.0356 5.0944 5.0945 8.2957 8.2959 9.5655 9.5659 10.6614 10.6623 k = 0.3302-0.0519 0.1676 ( 12209 PWs) bands (ev): -41.7220 -41.7220 -21.7284 -21.7284 -20.2065 -20.2065 -19.5243 -19.5242 -19.0284 -19.0283 -17.1844 -17.1844 -10.4939 -10.4937 -7.7288 -7.7283 -7.3006 -7.2993 -5.5271 -5.5253 -4.9415 -4.9405 -4.7770 -4.7742 -3.7575 -3.7549 -3.5106 -3.5083 -3.1942 -3.1917 -2.8220 -2.8193 -1.4917 -1.4912 -1.2388 -1.2367 -0.7136 -0.7107 0.2164 0.2182 0.8683 0.8747 1.0240 1.0288 5.0828 5.0829 8.3016 8.3018 9.4835 9.4838 10.6392 10.6401 k = 0.3208-0.0504 0.1628 ( 12212 PWs) bands (ev): -41.7220 -41.7220 -21.7332 -21.7332 -20.2081 -20.2081 -19.5209 -19.5208 -19.0300 -19.0300 -17.1874 -17.1874 -10.5055 -10.5054 -7.7187 -7.7182 -7.2928 -7.2914 -5.5261 -5.5242 -4.9165 -4.9153 -4.7641 -4.7611 -3.7707 -3.7680 -3.5042 -3.5023 -3.1785 -3.1761 -2.8197 -2.8169 -1.4778 -1.4774 -1.2338 -1.2317 -0.7083 -0.7055 0.2202 0.2221 0.8542 0.8604 1.0178 1.0224 5.0705 5.0706 8.3073 8.3076 9.4011 9.4013 10.6187 10.6195 k = 0.3113-0.0489 0.1580 ( 12208 PWs) bands (ev): -41.7221 -41.7221 -21.7381 -21.7381 -20.2096 -20.2096 -19.5174 -19.5173 -19.0317 -19.0317 -17.1906 -17.1906 -10.5174 -10.5172 -7.7095 -7.7090 -7.2834 -7.2820 -5.5250 -5.5231 -4.8909 -4.8894 -4.7512 -4.7478 -3.7840 -3.7813 -3.4973 -3.4956 -3.1622 -3.1598 -2.8179 -2.8151 -1.4636 -1.4631 -1.2285 -1.2264 -0.7029 -0.7000 0.2240 0.2261 0.8392 0.8451 1.0119 1.0162 5.0575 5.0576 8.3128 8.3131 9.3184 9.3186 10.5999 10.6007 k = 0.3019-0.0474 0.1532 ( 12209 PWs) bands (ev): -41.7222 -41.7222 -21.7431 -21.7431 -20.2112 -20.2112 -19.5139 -19.5138 -19.0335 -19.0335 -17.1938 -17.1938 -10.5293 -10.5291 -7.7013 -7.7009 -7.2723 -7.2710 -5.5238 -5.5218 -4.8650 -4.8633 -4.7380 -4.7343 -3.7972 -3.7943 -3.4900 -3.4885 -3.1452 -3.1429 -2.8169 -2.8140 -1.4489 -1.4484 -1.2228 -1.2207 -0.6971 -0.6942 0.2279 0.2302 0.8233 0.8290 1.0063 1.0103 5.0438 5.0439 8.3180 8.3184 9.2357 9.2360 10.5828 10.5837 k = 0.2925-0.0460 0.1485 ( 12208 PWs) bands (ev): -41.7223 -41.7223 -21.7482 -21.7482 -20.2127 -20.2127 -19.5103 -19.5103 -19.0354 -19.0354 -17.1971 -17.1971 -10.5413 -10.5412 -7.6944 -7.6939 -7.2596 -7.2583 -5.5225 -5.5204 -4.8392 -4.8371 -4.7245 -4.7205 -3.8099 -3.8069 -3.4825 -3.4812 -3.1276 -3.1253 -2.8165 -2.8136 -1.4338 -1.4333 -1.2169 -1.2148 -0.6911 -0.6882 0.2318 0.2343 0.8066 0.8120 1.0010 1.0046 5.0295 5.0296 8.3229 8.3233 9.1533 9.1536 10.5675 10.5683 k = 0.2830-0.0445 0.1437 ( 12210 PWs) bands (ev): -41.7224 -41.7224 -21.7533 -21.7533 -20.2142 -20.2142 -19.5068 -19.5068 -19.0373 -19.0373 -17.2004 -17.2004 -10.5534 -10.5532 -7.6886 -7.6882 -7.2453 -7.2440 -5.5211 -5.5190 -4.8140 -4.8116 -4.7104 -4.7059 -3.8219 -3.8189 -3.4750 -3.4738 -3.1095 -3.1073 -2.8167 -2.8137 -1.4185 -1.4180 -1.2106 -1.2085 -0.6849 -0.6820 0.2357 0.2383 0.7893 0.7944 0.9958 0.9991 5.0145 5.0146 8.3274 8.3279 9.0714 9.0718 10.5540 10.5547 k = 0.2736-0.0430 0.1389 ( 12209 PWs) bands (ev): -41.7224 -41.7224 -21.7586 -21.7585 -20.2156 -20.2156 -19.5033 -19.5033 -19.0393 -19.0393 -17.2037 -17.2037 -10.5655 -10.5653 -7.6839 -7.6836 -7.2294 -7.2282 -5.5196 -5.5174 -4.7902 -4.7874 -4.6950 -4.6901 -3.8330 -3.8300 -3.4675 -3.4665 -3.0909 -3.0887 -2.8175 -2.8145 -1.4029 -1.4024 -1.2040 -1.2020 -0.6785 -0.6755 0.2396 0.2423 0.7714 0.7763 0.9908 0.9938 4.9989 4.9991 8.3314 8.3320 8.9902 8.9907 10.5421 10.5428 k = 0.2642-0.0415 0.1341 ( 12211 PWs) bands (ev): -41.7225 -41.7225 -21.7638 -21.7638 -20.2170 -20.2170 -19.4998 -19.4998 -19.0413 -19.0413 -17.2071 -17.2070 -10.5775 -10.5773 -7.6804 -7.6801 -7.2121 -7.2109 -5.5180 -5.5158 -4.7688 -4.7657 -4.6774 -4.6723 -3.8430 -3.8400 -3.4602 -3.4593 -3.0721 -3.0699 -2.8189 -2.8157 -1.3872 -1.3866 -1.1972 -1.1952 -0.6718 -0.6689 0.2434 0.2463 0.7531 0.7577 0.9860 0.9887 4.9828 4.9830 8.3348 8.3354 8.9100 8.9107 10.5319 10.5326 k = 0.2547-0.0400 0.1293 ( 12211 PWs) bands (ev): -41.7226 -41.7226 -21.7691 -21.7691 -20.2183 -20.2183 -19.4963 -19.4963 -19.0434 -19.0434 -17.2104 -17.2104 -10.5894 -10.5892 -7.6779 -7.6776 -7.1936 -7.1924 -5.5164 -5.5141 -4.7505 -4.7474 -4.6569 -4.6517 -3.8518 -3.8488 -3.4532 -3.4523 -3.0531 -3.0509 -2.8208 -2.8175 -1.3713 -1.3707 -1.1901 -1.1882 -0.6650 -0.6621 0.2470 0.2501 0.7345 0.7388 0.9812 0.9836 4.9662 4.9664 8.3374 8.3382 8.8312 8.8321 10.5234 10.5240 k = 0.2453-0.0385 0.1245 ( 12208 PWs) bands (ev): -41.7227 -41.7227 -21.7744 -21.7744 -20.2196 -20.2196 -19.4929 -19.4929 -19.0455 -19.0455 -17.2138 -17.2137 -10.6011 -10.6010 -7.6763 -7.6761 -7.1738 -7.1727 -5.5147 -5.5124 -4.7358 -4.7330 -4.6332 -4.6283 -3.8591 -3.8562 -3.4465 -3.4456 -3.0341 -3.0319 -2.8230 -2.8195 -1.3554 -1.3547 -1.1828 -1.1810 -0.6579 -0.6551 0.2506 0.2538 0.7156 0.7198 0.9766 0.9787 4.9492 4.9493 8.3389 8.3400 8.7541 8.7553 10.5165 10.5170 k = 0.2358-0.0371 0.1197 ( 12211 PWs) bands (ev): -41.7228 -41.7228 -21.7796 -21.7796 -20.2208 -20.2208 -19.4895 -19.4895 -19.0476 -19.0476 -17.2171 -17.2171 -10.6127 -10.6126 -7.6755 -7.6754 -7.1532 -7.1521 -5.5129 -5.5106 -4.7247 -4.7223 -4.6067 -4.6022 -3.8650 -3.8621 -3.4401 -3.4393 -3.0154 -3.0132 -2.8254 -2.8216 -1.3395 -1.3388 -1.1753 -1.1736 -0.6508 -0.6480 0.2540 0.2574 0.6967 0.7006 0.9720 0.9739 4.9318 4.9319 8.3389 8.3403 8.6793 8.6809 10.5111 10.5116 k = 0.2264-0.0356 0.1149 ( 12204 PWs) bands (ev): -41.7228 -41.7228 -21.7849 -21.7848 -20.2219 -20.2219 -19.4862 -19.4862 -19.0498 -19.0498 -17.2204 -17.2204 -10.6241 -10.6240 -7.6755 -7.6753 -7.1317 -7.1307 -5.5112 -5.5089 -4.7166 -4.7145 -4.5782 -4.5742 -3.8693 -3.8665 -3.4341 -3.4334 -2.9974 -2.9950 -2.8276 -2.8236 -1.3237 -1.3230 -1.1676 -1.1660 -0.6434 -0.6407 0.2572 0.2608 0.6777 0.6815 0.9674 0.9692 4.9141 4.9142 8.3365 8.3383 8.6080 8.6100 10.5074 10.5078 k = 0.2170-0.0341 0.1101 ( 12203 PWs) bands (ev): -41.7229 -41.7229 -21.7900 -21.7900 -20.2230 -20.2230 -19.4830 -19.4829 -19.0520 -19.0520 -17.2236 -17.2236 -10.6353 -10.6352 -7.6760 -7.6759 -7.1097 -7.1087 -5.5094 -5.5071 -4.7111 -4.7093 -4.5484 -4.5447 -3.8719 -3.8692 -3.4286 -3.4279 -2.9804 -2.9779 -2.8293 -2.8250 -1.3081 -1.3074 -1.1597 -1.1582 -0.6360 -0.6334 0.2602 0.2640 0.6589 0.6625 0.9629 0.9645 4.8961 4.8963 8.3298 8.3323 8.5420 8.5447 10.5051 10.5055 k = 0.2075-0.0326 0.1054 ( 12206 PWs) bands (ev): -41.7230 -41.7230 -21.7951 -21.7951 -20.2240 -20.2240 -19.4798 -19.4798 -19.0542 -19.0542 -17.2268 -17.2268 -10.6462 -10.6461 -7.6771 -7.6770 -7.0872 -7.0862 -5.5077 -5.5053 -4.7077 -4.7061 -4.5177 -4.5144 -3.8729 -3.8703 -3.4235 -3.4228 -2.9653 -2.9626 -2.8299 -2.8252 -1.2929 -1.2920 -1.1517 -1.1503 -0.6286 -0.6259 0.2630 0.2669 0.6402 0.6437 0.9584 0.9599 4.8780 4.8782 8.3151 8.3183 8.4853 8.4888 10.5044 10.5048 k = 0.1981-0.0311 0.1006 ( 12199 PWs) bands (ev): -41.7231 -41.7231 -21.8001 -21.8001 -20.2250 -20.2249 -19.4767 -19.4767 -19.0564 -19.0564 -17.2299 -17.2299 -10.6568 -10.6567 -7.6785 -7.6785 -7.0645 -7.0636 -5.5059 -5.5035 -4.7061 -4.7047 -4.4867 -4.4836 -3.8723 -3.8697 -3.4189 -3.4181 -2.9527 -2.9498 -2.8285 -2.8234 -1.2780 -1.2771 -1.1436 -1.1423 -0.6210 -0.6184 0.2654 0.2696 0.6219 0.6253 0.9540 0.9553 4.8598 4.8600 8.2870 8.2907 8.4439 8.4478 10.5052 10.5055 k = 0.1887-0.0296 0.0958 ( 12205 PWs) bands (ev): -41.7231 -41.7231 -21.8050 -21.8050 -20.2258 -20.2258 -19.4737 -19.4737 -19.0586 -19.0586 -17.2330 -17.2330 -10.6671 -10.6670 -7.6803 -7.6803 -7.0417 -7.0408 -5.5041 -5.5018 -4.7062 -4.7049 -4.4554 -4.4526 -3.8701 -3.8676 -3.4146 -3.4138 -2.9436 -2.9407 -2.8242 -2.8190 -1.2635 -1.2626 -1.1353 -1.1342 -0.6135 -0.6110 0.2676 0.2719 0.6041 0.6073 0.9496 0.9509 4.8417 4.8419 8.2441 8.2474 8.4198 8.4235 10.5074 10.5078 k = 0.1792-0.0282 0.0910 ( 12200 PWs) bands (ev): -41.7232 -41.7232 -21.8097 -21.8097 -20.2267 -20.2266 -19.4708 -19.4708 -19.0608 -19.0608 -17.2360 -17.2360 -10.6770 -10.6769 -7.6824 -7.6823 -7.0189 -7.0181 -5.5024 -5.5001 -4.7077 -4.7064 -4.4243 -4.4216 -3.8665 -3.8641 -3.4108 -3.4098 -2.9385 -2.9357 -2.8165 -2.8114 -1.2496 -1.2486 -1.1269 -1.1259 -0.6060 -0.6035 0.2694 0.2739 0.5867 0.5900 0.9452 0.9464 4.8237 4.8239 8.1914 8.1941 8.4077 8.4107 10.5112 10.5115 k = 0.1698-0.0267 0.0862 ( 12199 PWs) bands (ev): -41.7233 -41.7233 -21.8144 -21.8143 -20.2274 -20.2274 -19.4680 -19.4680 -19.0630 -19.0629 -17.2389 -17.2388 -10.6866 -10.6864 -7.6846 -7.6845 -6.9964 -6.9957 -5.5007 -5.4984 -4.7104 -4.7091 -4.3934 -4.3909 -3.8616 -3.8592 -3.4072 -3.4062 -2.9373 -2.9347 -2.8055 -2.8008 -1.2364 -1.2354 -1.1184 -1.1175 -0.5985 -0.5961 0.2709 0.2755 0.5701 0.5733 0.9409 0.9421 4.8059 4.8061 8.1347 8.1368 8.4015 8.4041 10.5165 10.5168 k = 0.1604-0.0252 0.0814 ( 12202 PWs) bands (ev): -41.7234 -41.7234 -21.8188 -21.8188 -20.2281 -20.2281 -19.4653 -19.4653 -19.0651 -19.0651 -17.2416 -17.2416 -10.6957 -10.6956 -7.6869 -7.6868 -6.9743 -6.9735 -5.4990 -5.4968 -4.7141 -4.7128 -4.3630 -4.3606 -3.8554 -3.8532 -3.4040 -3.4027 -2.9395 -2.9372 -2.7921 -2.7877 -1.2239 -1.2228 -1.1098 -1.1090 -0.5912 -0.5888 0.2720 0.2767 0.5542 0.5574 0.9367 0.9378 4.7885 4.7886 8.0773 8.0790 8.3982 8.4003 10.5233 10.5236 k = 0.1509-0.0237 0.0766 ( 12197 PWs) bands (ev): -41.7234 -41.7234 -21.8231 -21.8231 -20.2287 -20.2287 -19.4627 -19.4627 -19.0672 -19.0671 -17.2443 -17.2443 -10.7045 -10.7044 -7.6892 -7.6891 -6.9526 -6.9519 -5.4974 -5.4952 -4.7187 -4.7174 -4.3332 -4.3309 -3.8484 -3.8463 -3.4009 -3.3995 -2.9443 -2.9422 -2.7770 -2.7731 -1.2122 -1.2111 -1.1012 -1.1004 -0.5840 -0.5817 0.2726 0.2774 0.5392 0.5424 0.9325 0.9336 4.7714 4.7716 8.0208 8.0222 8.3962 8.3981 10.5316 10.5319 k = 0.1415-0.0222 0.0718 ( 12196 PWs) bands (ev): -41.7235 -41.7235 -21.8272 -21.8272 -20.2293 -20.2293 -19.4603 -19.4603 -19.0692 -19.0692 -17.2468 -17.2468 -10.7128 -10.7127 -7.6916 -7.6915 -6.9316 -6.9309 -5.4958 -5.4937 -4.7239 -4.7227 -4.3041 -4.3019 -3.8406 -3.8386 -3.3979 -3.3963 -2.9510 -2.9490 -2.7611 -2.7575 -1.2013 -1.2002 -1.0925 -1.0918 -0.5770 -0.5747 0.2729 0.2777 0.5252 0.5283 0.9284 0.9294 4.7548 4.7550 7.9660 7.9673 8.3950 8.3966 10.5414 10.5417 k = 0.1321-0.0208 0.0670 ( 12194 PWs) bands (ev): -41.7235 -41.7235 -21.8311 -21.8311 -20.2298 -20.2298 -19.4580 -19.4579 -19.0711 -19.0711 -17.2493 -17.2492 -10.7206 -10.7205 -7.6940 -7.6939 -6.9112 -6.9106 -5.4943 -5.4922 -4.7297 -4.7285 -4.2759 -4.2738 -3.8323 -3.8303 -3.3949 -3.3930 -2.9592 -2.9572 -2.7449 -2.7417 -1.1913 -1.1903 -1.0838 -1.0831 -0.5702 -0.5681 0.2727 0.2775 0.5123 0.5153 0.9244 0.9254 4.7389 4.7390 7.9136 7.9146 8.3941 8.3956 10.5528 10.5531 k = 0.1226-0.0193 0.0623 ( 12195 PWs) bands (ev): -41.7236 -41.7236 -21.8348 -21.8348 -20.2303 -20.2303 -19.4558 -19.4557 -19.0730 -19.0730 -17.2515 -17.2515 -10.7280 -10.7279 -7.6963 -7.6962 -6.8918 -6.8912 -5.4929 -5.4909 -4.7359 -4.7347 -4.2487 -4.2468 -3.8238 -3.8219 -3.3917 -3.3897 -2.9685 -2.9664 -2.7288 -2.7259 -1.1823 -1.1812 -1.0751 -1.0745 -0.5638 -0.5617 0.2720 0.2767 0.5005 0.5034 0.9206 0.9216 4.7236 4.7238 7.8637 7.8646 8.3934 8.3948 10.5657 10.5660 k = 0.1132-0.0178 0.0575 ( 12195 PWs) bands (ev): -41.7237 -41.7237 -21.8383 -21.8383 -20.2307 -20.2307 -19.4537 -19.4537 -19.0748 -19.0748 -17.2537 -17.2537 -10.7349 -10.7348 -7.6985 -7.6984 -6.8733 -6.8728 -5.4915 -5.4896 -4.7422 -4.7410 -4.2227 -4.2208 -3.8152 -3.8134 -3.3883 -3.3860 -2.9785 -2.9764 -2.7131 -2.7104 -1.1742 -1.1731 -1.0666 -1.0659 -0.5576 -0.5556 0.2709 0.2755 0.4898 0.4927 0.9169 0.9178 4.7091 4.7093 7.8168 7.8176 8.3929 8.3940 10.5803 10.5806 k = 0.1038-0.0163 0.0527 ( 12195 PWs) bands (ev): -41.7237 -41.7237 -21.8415 -21.8415 -20.2311 -20.2311 -19.4518 -19.4518 -19.0765 -19.0765 -17.2557 -17.2557 -10.7413 -10.7412 -7.7006 -7.7005 -6.8559 -6.8554 -5.4902 -5.4883 -4.7486 -4.7475 -4.1979 -4.1961 -3.8069 -3.8051 -3.3845 -3.3820 -2.9892 -2.9870 -2.6980 -2.6956 -1.1669 -1.1659 -1.0582 -1.0576 -0.5519 -0.5499 0.2695 0.2739 0.4804 0.4831 0.9134 0.9142 4.6955 4.6956 7.7730 7.7736 8.3923 8.3934 10.5964 10.5967 k = 0.0943-0.0148 0.0479 ( 12196 PWs) bands (ev): -41.7238 -41.7238 -21.8445 -21.8445 -20.2314 -20.2314 -19.4500 -19.4500 -19.0781 -19.0781 -17.2575 -17.2575 -10.7471 -10.7470 -7.7026 -7.7025 -6.8397 -6.8392 -5.4889 -5.4872 -4.7549 -4.7538 -4.1746 -4.1729 -3.7990 -3.7973 -3.3802 -3.3776 -3.0003 -2.9980 -2.6838 -2.6816 -1.1605 -1.1596 -1.0502 -1.0496 -0.5465 -0.5447 0.2677 0.2719 0.4721 0.4747 0.9100 0.9109 4.6828 4.6829 7.7324 7.7330 8.3918 8.3928 10.6141 10.6144 k = 0.0849-0.0133 0.0431 ( 12197 PWs) bands (ev): -41.7238 -41.7238 -21.8473 -21.8472 -20.2317 -20.2317 -19.4484 -19.4484 -19.0796 -19.0796 -17.2592 -17.2592 -10.7525 -10.7524 -7.7045 -7.7043 -6.8247 -6.8243 -5.4877 -5.4862 -4.7610 -4.7600 -4.1528 -4.1512 -3.7918 -3.7902 -3.3755 -3.3727 -3.0115 -3.0092 -2.6704 -2.6685 -1.1549 -1.1541 -1.0425 -1.0420 -0.5416 -0.5399 0.2657 0.2696 0.4650 0.4674 0.9069 0.9077 4.6711 4.6712 7.6952 7.6957 8.3913 8.3922 10.6335 10.6338 k = 0.0755-0.0119 0.0383 ( 12200 PWs) bands (ev): -41.7238 -41.7238 -21.8497 -21.8497 -20.2320 -20.2320 -19.4470 -19.4469 -19.0809 -19.0809 -17.2607 -17.2607 -10.7573 -10.7572 -7.7061 -7.7060 -6.8110 -6.8107 -5.4867 -5.4852 -4.7668 -4.7658 -4.1326 -4.1311 -3.7854 -3.7838 -3.3702 -3.3674 -3.0228 -3.0205 -2.6582 -2.6564 -1.1500 -1.1493 -1.0353 -1.0348 -0.5371 -0.5355 0.2635 0.2671 0.4590 0.4611 0.9041 0.9048 4.6604 4.6605 7.6617 7.6621 8.3908 8.3916 10.6545 10.6547 k = 0.0660-0.0104 0.0335 ( 12200 PWs) bands (ev): -41.7239 -41.7239 -21.8519 -21.8519 -20.2322 -20.2322 -19.4457 -19.4457 -19.0822 -19.0821 -17.2620 -17.2620 -10.7615 -10.7615 -7.7076 -7.7075 -6.7988 -6.7985 -5.4857 -5.4844 -4.7721 -4.7713 -4.1143 -4.1129 -3.7799 -3.7784 -3.3645 -3.3617 -3.0339 -3.0316 -2.6471 -2.6456 -1.1459 -1.1452 -1.0288 -1.0283 -0.5331 -0.5317 0.2613 0.2645 0.4540 0.4559 0.9015 0.9021 4.6509 4.6510 7.6317 7.6321 8.3904 8.3910 10.6770 10.6773 k = 0.0566-0.0089 0.0287 ( 12202 PWs) bands (ev): -41.7239 -41.7239 -21.8538 -21.8538 -20.2324 -20.2324 -19.4445 -19.4445 -19.0832 -19.0832 -17.2632 -17.2632 -10.7653 -10.7652 -7.7089 -7.7089 -6.7880 -6.7878 -5.4848 -5.4837 -4.7769 -4.7762 -4.0979 -4.0967 -3.7753 -3.7739 -3.3586 -3.3558 -3.0446 -3.0423 -2.6373 -2.6360 -1.1423 -1.1418 -1.0229 -1.0225 -0.5296 -0.5283 0.2591 0.2619 0.4499 0.4516 0.8992 0.8998 4.6425 4.6426 7.6056 7.6059 8.3899 8.3905 10.7011 10.7014 k = 0.0472-0.0074 0.0239 ( 12202 PWs) bands (ev): -41.7239 -41.7239 -21.8555 -21.8555 -20.2325 -20.2325 -19.4436 -19.4436 -19.0841 -19.0841 -17.2642 -17.2642 -10.7684 -10.7684 -7.7101 -7.7100 -6.7788 -6.7786 -5.4840 -5.4831 -4.7811 -4.7805 -4.0836 -4.0826 -3.7716 -3.7704 -3.3525 -3.3500 -3.0544 -3.0523 -2.6288 -2.6277 -1.1394 -1.1390 -1.0177 -1.0174 -0.5266 -0.5255 0.2571 0.2594 0.4467 0.4481 0.8972 0.8977 4.6354 4.6355 7.5834 7.5836 8.3895 8.3900 10.7267 10.7269 k = 0.0377-0.0059 0.0192 ( 12203 PWs) bands (ev): -41.7239 -41.7239 -21.8568 -21.8568 -20.2326 -20.2326 -19.4428 -19.4428 -19.0849 -19.0849 -17.2650 -17.2650 -10.7710 -10.7709 -7.7110 -7.7109 -6.7712 -6.7710 -5.4833 -5.4826 -4.7846 -4.7841 -4.0717 -4.0708 -3.7688 -3.7677 -3.3467 -3.3445 -3.0632 -3.0614 -2.6218 -2.6209 -1.1371 -1.1367 -1.0135 -1.0132 -0.5241 -0.5233 0.2554 0.2572 0.4442 0.4453 0.8956 0.8960 4.6295 4.6296 7.5650 7.5652 8.3892 8.3896 10.7536 10.7537 k = 0.0283-0.0044 0.0144 ( 12208 PWs) bands (ev): -41.7240 -41.7240 -21.8579 -21.8579 -20.2327 -20.2327 -19.4422 -19.4421 -19.0855 -19.0855 -17.2657 -17.2657 -10.7730 -10.7730 -7.7117 -7.7117 -6.7652 -6.7651 -5.4828 -5.4822 -4.7874 -4.7870 -4.0621 -4.0614 -3.7667 -3.7659 -3.3415 -3.3397 -3.0706 -3.0691 -2.6162 -2.6156 -1.1353 -1.1351 -1.0100 -1.0098 -0.5222 -0.5215 0.2540 0.2554 0.4424 0.4432 0.8943 0.8946 4.6249 4.6249 7.5507 7.5509 8.3889 8.3892 10.7812 10.7813 k = 0.0189-0.0030 0.0096 ( 12211 PWs) bands (ev): -41.7240 -41.7240 -21.8586 -21.8586 -20.2328 -20.2328 -19.4417 -19.4417 -19.0859 -19.0859 -17.2661 -17.2661 -10.7744 -10.7744 -7.7122 -7.7122 -6.7609 -6.7608 -5.4824 -5.4820 -4.7894 -4.7891 -4.0551 -4.0547 -3.7653 -3.7647 -3.3373 -3.3360 -3.0760 -3.0750 -2.6122 -2.6118 -1.1341 -1.1339 -1.0076 -1.0074 -0.5207 -0.5203 0.2530 0.2539 0.4412 0.4417 0.8934 0.8936 4.6216 4.6216 7.5405 7.5406 8.3887 8.3889 10.8085 10.8087 k = 0.0094-0.0015 0.0048 ( 12207 PWs) bands (ev): -41.7240 -41.7240 -21.8591 -21.8591 -20.2328 -20.2328 -19.4414 -19.4414 -19.0862 -19.0862 -17.2664 -17.2664 -10.7753 -10.7753 -7.7125 -7.7125 -6.7583 -6.7583 -5.4821 -5.4819 -4.7906 -4.7904 -4.0508 -4.0506 -3.7644 -3.7641 -3.3344 -3.3338 -3.0794 -3.0788 -2.6097 -2.6095 -1.1333 -1.1332 -1.0061 -1.0060 -0.5198 -0.5196 0.2525 0.2530 0.4405 0.4408 0.8929 0.8930 4.6196 4.6196 7.5343 7.5344 8.3887 8.3887 10.8324 10.8324 k = 0.0000 0.0000 0.0000 ( 12209 PWs) bands (ev): -41.7240 -41.7240 -21.8592 -21.8592 -20.2329 -20.2329 -19.4414 -19.4414 -19.0863 -19.0863 -17.2665 -17.2665 -10.7756 -10.7756 -7.7126 -7.7126 -6.7575 -6.7575 -5.4819 -5.4819 -4.7909 -4.7909 -4.0493 -4.0493 -3.7640 -3.7640 -3.3332 -3.3332 -3.0803 -3.0803 -2.6088 -2.6088 -1.1330 -1.1330 -1.0055 -1.0055 -0.5195 -0.5195 0.2525 0.2525 0.4404 0.4404 0.8927 0.8927 4.6189 4.6189 7.5323 7.5323 8.3887 8.3887 10.8433 10.8433 k = 0.0000 0.0000 0.0000 ( 12209 PWs) bands (ev): -41.7240 -41.7240 -21.8592 -21.8592 -20.2329 -20.2329 -19.4414 -19.4414 -19.0863 -19.0863 -17.2665 -17.2665 -10.7756 -10.7756 -7.7126 -7.7126 -6.7575 -6.7575 -5.4819 -5.4819 -4.7909 -4.7909 -4.0493 -4.0493 -3.7640 -3.7640 -3.3332 -3.3332 -3.0803 -3.0803 -2.6088 -2.6088 -1.1330 -1.1330 -1.0055 -1.0055 -0.5195 -0.5195 0.2525 0.2525 0.4404 0.4404 0.8927 0.8927 4.6189 4.6189 7.5323 7.5323 8.3887 8.3887 10.8433 10.8433 k = 0.0000 0.0090 0.0058 ( 12212 PWs) bands (ev): -41.7240 -41.7240 -21.8591 -21.8591 -20.2329 -20.2329 -19.4418 -19.4418 -19.0861 -19.0861 -17.2663 -17.2663 -10.7750 -10.7749 -7.7127 -7.7126 -6.7585 -6.7584 -5.4822 -5.4820 -4.7913 -4.7912 -4.0496 -4.0495 -3.7642 -3.7638 -3.3353 -3.3347 -3.0783 -3.0778 -2.6087 -2.6085 -1.1334 -1.1333 -1.0053 -1.0053 -0.5204 -0.5200 0.2528 0.2529 0.4412 0.4415 0.8936 0.8937 4.6192 4.6192 7.5330 7.5331 8.3883 8.3883 10.8161 10.8163 k = 0.0000 0.0180 0.0115 ( 12212 PWs) bands (ev): -41.7240 -41.7240 -21.8588 -21.8588 -20.2329 -20.2329 -19.4431 -19.4431 -19.0857 -19.0857 -17.2658 -17.2658 -10.7731 -10.7731 -7.7128 -7.7127 -6.7616 -6.7614 -5.4828 -5.4825 -4.7924 -4.7922 -4.0505 -4.0503 -3.7643 -3.7635 -3.3407 -3.3396 -3.0719 -3.0709 -2.6080 -2.6076 -1.1344 -1.1343 -1.0047 -1.0047 -0.5228 -0.5221 0.2537 0.2540 0.4438 0.4444 0.8962 0.8965 4.6199 4.6199 7.5353 7.5353 8.3873 8.3873 10.7661 10.7663 k = 0.0000 0.0270 0.0173 ( 12212 PWs) bands (ev): -41.7240 -41.7240 -21.8582 -21.8582 -20.2329 -20.2329 -19.4454 -19.4453 -19.0851 -19.0851 -17.2649 -17.2649 -10.7699 -10.7699 -7.7129 -7.7128 -6.7666 -6.7664 -5.4838 -5.4834 -4.7941 -4.7939 -4.0519 -4.0516 -3.7642 -3.7632 -3.3489 -3.3474 -3.0616 -3.0603 -2.6069 -2.6062 -1.1361 -1.1360 -1.0037 -1.0036 -0.5266 -0.5257 0.2554 0.2558 0.4484 0.4492 0.9006 0.9011 4.6211 4.6212 7.5390 7.5391 8.3857 8.3857 10.7122 10.7123 k = 0.0000 0.0359 0.0230 ( 12203 PWs) bands (ev): -41.7240 -41.7240 -21.8574 -21.8574 -20.2329 -20.2329 -19.4484 -19.4484 -19.0842 -19.0842 -17.2637 -17.2637 -10.7655 -10.7655 -7.7132 -7.7130 -6.7736 -6.7733 -5.4852 -5.4847 -4.7965 -4.7962 -4.0538 -4.0534 -3.7641 -3.7627 -3.3592 -3.3574 -3.0482 -3.0466 -2.6052 -2.6044 -1.1384 -1.1383 -1.0024 -1.0022 -0.5318 -0.5305 0.2576 0.2581 0.4548 0.4559 0.9068 0.9074 4.6228 4.6229 7.5443 7.5444 8.3834 8.3834 10.6578 10.6581 k = 0.0000 0.0449 0.0288 ( 12213 PWs) bands (ev): -41.7240 -41.7240 -21.8564 -21.8564 -20.2330 -20.2330 -19.4523 -19.4523 -19.0830 -19.0830 -17.2621 -17.2621 -10.7599 -10.7599 -7.7135 -7.7133 -6.7826 -6.7821 -5.4869 -5.4863 -4.7996 -4.7992 -4.0563 -4.0558 -3.7637 -3.7621 -3.3708 -3.3688 -3.0325 -3.0306 -2.6031 -2.6021 -1.1413 -1.1412 -1.0006 -1.0004 -0.5381 -0.5366 0.2602 0.2608 0.4630 0.4644 0.9144 0.9152 4.6250 4.6251 7.5511 7.5513 8.3804 8.3805 10.6043 10.6046 k = 0.0000 0.0539 0.0345 ( 12213 PWs) bands (ev): -41.7240 -41.7240 -21.8552 -21.8552 -20.2330 -20.2330 -19.4570 -19.4569 -19.0817 -19.0817 -17.2603 -17.2603 -10.7530 -10.7530 -7.7140 -7.7138 -6.7933 -6.7928 -5.4890 -5.4882 -4.8033 -4.8028 -4.0593 -4.0587 -3.7631 -3.7612 -3.3833 -3.3812 -3.0149 -3.0129 -2.6006 -2.5994 -1.1449 -1.1447 -0.9985 -0.9983 -0.5455 -0.5438 0.2632 0.2639 0.4731 0.4747 0.9235 0.9244 4.6276 4.6277 7.5596 7.5598 8.3769 8.3770 10.5521 10.5524 k = 0.0000 0.0629 0.0403 ( 12218 PWs) bands (ev): -41.7240 -41.7240 -21.8538 -21.8538 -20.2330 -20.2330 -19.4623 -19.4623 -19.0802 -19.0802 -17.2581 -17.2581 -10.7450 -10.7449 -7.7147 -7.7144 -6.8059 -6.8053 -5.4914 -5.4905 -4.8076 -4.8071 -4.0628 -4.0621 -3.7621 -3.7601 -3.3962 -3.3940 -2.9961 -2.9939 -2.5977 -2.5962 -1.1489 -1.1487 -0.9961 -0.9958 -0.5537 -0.5518 0.2665 0.2672 0.4849 0.4868 0.9338 0.9348 4.6307 4.6308 7.5696 7.5699 8.3728 8.3730 10.5016 10.5019 k = 0.0000 0.0719 0.0460 ( 12221 PWs) bands (ev): -41.7240 -41.7240 -21.8522 -21.8522 -20.2331 -20.2331 -19.4684 -19.4684 -19.0786 -19.0786 -17.2556 -17.2556 -10.7357 -10.7357 -7.7156 -7.7153 -6.8201 -6.8195 -5.4940 -5.4931 -4.8125 -4.8119 -4.0668 -4.0660 -3.7608 -3.7586 -3.4090 -3.4068 -2.9765 -2.9742 -2.5944 -2.5927 -1.1535 -1.1533 -0.9933 -0.9931 -0.5626 -0.5605 0.2700 0.2706 0.4985 0.5006 0.9451 0.9463 4.6342 4.6343 7.5813 7.5816 8.3682 8.3683 10.4529 10.4532 k = 0.0000 0.0809 0.0518 ( 12224 PWs) bands (ev): -41.7240 -41.7240 -21.8504 -21.8504 -20.2331 -20.2331 -19.4751 -19.4750 -19.0769 -19.0769 -17.2529 -17.2529 -10.7254 -10.7253 -7.7168 -7.7164 -6.8360 -6.8352 -5.4970 -5.4960 -4.8179 -4.8173 -4.0713 -4.0704 -3.7590 -3.7568 -3.4216 -3.4194 -2.9564 -2.9540 -2.5908 -2.5889 -1.1586 -1.1583 -0.9903 -0.9900 -0.5720 -0.5697 0.2735 0.2742 0.5137 0.5160 0.9573 0.9586 4.6381 4.6383 7.5948 7.5951 8.3630 8.3632 10.4062 10.4066 k = 0.0000 0.0899 0.0576 ( 12223 PWs) bands (ev): -41.7240 -41.7240 -21.8484 -21.8484 -20.2331 -20.2331 -19.4823 -19.4823 -19.0751 -19.0751 -17.2499 -17.2499 -10.7139 -10.7138 -7.7183 -7.7179 -6.8533 -6.8525 -5.5002 -5.4991 -4.8239 -4.8233 -4.0761 -4.0751 -3.7568 -3.7545 -3.4338 -3.4317 -2.9360 -2.9335 -2.5868 -2.5848 -1.1641 -1.1638 -0.9870 -0.9868 -0.5818 -0.5793 0.2770 0.2777 0.5303 0.5330 0.9701 0.9715 4.6424 4.6426 7.6099 7.6103 8.3574 8.3576 10.3617 10.3621 k = 0.0000 0.0988 0.0633 ( 12224 PWs) bands (ev): -41.7240 -41.7240 -21.8462 -21.8462 -20.2331 -20.2331 -19.4900 -19.4900 -19.0733 -19.0733 -17.2467 -17.2467 -10.7013 -10.7012 -7.7202 -7.7197 -6.8720 -6.8711 -5.5037 -5.5025 -4.8304 -4.8298 -4.0812 -4.0802 -3.7541 -3.7519 -3.4453 -3.4433 -2.9157 -2.9131 -2.5826 -2.5804 -1.1700 -1.1697 -0.9835 -0.9832 -0.5917 -0.5891 0.2806 0.2812 0.5484 0.5512 0.9833 0.9848 4.6470 4.6472 7.6269 7.6273 8.3514 8.3516 10.3194 10.3198 k = 0.0000 0.1078 0.0691 ( 12223 PWs) bands (ev): -41.7240 -41.7240 -21.8440 -21.8440 -20.2330 -20.2330 -19.4982 -19.4981 -19.0714 -19.0714 -17.2432 -17.2432 -10.6877 -10.6876 -7.7225 -7.7220 -6.8919 -6.8910 -5.5073 -5.5062 -4.8374 -4.8367 -4.0866 -4.0855 -3.7509 -3.7487 -3.4561 -3.4542 -2.8955 -2.8928 -2.5782 -2.5758 -1.1762 -1.1760 -0.9798 -0.9795 -0.6016 -0.5990 0.2840 0.2847 0.5677 0.5708 0.9967 0.9984 4.6520 4.6522 7.6457 7.6461 8.3450 8.3453 10.2795 10.2799 k = 0.0000 0.1168 0.0748 ( 12228 PWs) bands (ev): -41.7240 -41.7240 -21.8415 -21.8415 -20.2330 -20.2330 -19.5067 -19.5067 -19.0696 -19.0695 -17.2396 -17.2396 -10.6731 -10.6731 -7.7253 -7.7248 -6.9129 -6.9119 -5.5111 -5.5099 -4.8448 -4.8441 -4.0921 -4.0909 -3.7472 -3.7452 -3.4660 -3.4643 -2.8757 -2.8729 -2.5736 -2.5710 -1.1828 -1.1825 -0.9759 -0.9755 -0.6114 -0.6088 0.2874 0.2880 0.5882 0.5913 1.0101 1.0119 4.6573 4.6575 7.6663 7.6668 8.3384 8.3387 10.2420 10.2424 k = 0.0000 0.1258 0.0806 ( 12228 PWs) bands (ev): -41.7240 -41.7240 -21.8390 -21.8390 -20.2329 -20.2329 -19.5155 -19.5155 -19.0678 -19.0677 -17.2358 -17.2358 -10.6577 -10.6576 -7.7286 -7.7281 -6.9349 -6.9338 -5.5151 -5.5139 -4.8527 -4.8520 -4.0976 -4.0965 -3.7431 -3.7412 -3.4751 -3.4734 -2.8564 -2.8535 -2.5688 -2.5661 -1.1897 -1.1894 -0.9718 -0.9714 -0.6210 -0.6183 0.2907 0.2913 0.6095 0.6129 1.0233 1.0253 4.6628 4.6630 7.6888 7.6893 8.3316 8.3319 10.2069 10.2073 k = 0.0000 0.1348 0.0863 ( 12227 PWs) bands (ev): -41.7240 -41.7240 -21.8364 -21.8364 -20.2328 -20.2327 -19.5246 -19.5246 -19.0660 -19.0660 -17.2319 -17.2319 -10.6413 -10.6413 -7.7325 -7.7319 -6.9576 -6.9565 -5.5192 -5.5180 -4.8609 -4.8602 -4.1032 -4.1020 -3.7386 -3.7369 -3.4832 -3.4816 -2.8377 -2.8347 -2.5639 -2.5610 -1.1968 -1.1965 -0.9675 -0.9671 -0.6303 -0.6276 0.2939 0.2945 0.6316 0.6351 1.0362 1.0383 4.6686 4.6688 7.7131 7.7136 8.3247 8.3250 10.1742 10.1747 k = 0.0000 0.1438 0.0921 ( 12219 PWs) bands (ev): -41.7240 -41.7240 -21.8337 -21.8337 -20.2326 -20.2326 -19.5339 -19.5338 -19.0643 -19.0643 -17.2278 -17.2278 -10.6242 -10.6242 -7.7371 -7.7364 -6.9809 -6.9797 -5.5233 -5.5221 -4.8694 -4.8687 -4.1086 -4.1074 -3.7338 -3.7322 -3.4903 -3.4888 -2.8196 -2.8166 -2.5590 -2.5559 -1.2041 -1.2038 -0.9632 -0.9626 -0.6392 -0.6365 0.2970 0.2975 0.6543 0.6580 1.0486 1.0508 4.6746 4.6748 7.7392 7.7398 8.3178 8.3182 10.1440 10.1445 k = 0.0000 0.1528 0.0978 ( 12215 PWs) bands (ev): -41.7240 -41.7240 -21.8309 -21.8309 -20.2324 -20.2324 -19.5433 -19.5432 -19.0627 -19.0626 -17.2237 -17.2237 -10.6064 -10.6064 -7.7423 -7.7416 -7.0046 -7.0034 -5.5275 -5.5263 -4.8782 -4.8775 -4.1138 -4.1126 -3.7286 -3.7273 -3.4965 -3.4950 -2.8024 -2.7993 -2.5540 -2.5508 -1.2116 -1.2112 -0.9587 -0.9581 -0.6477 -0.6449 0.3000 0.3005 0.6775 0.6812 1.0603 1.0627 4.6807 4.6809 7.7670 7.7676 8.3111 8.3116 10.1162 10.1166 k = 0.0000 0.1617 0.1036 ( 12219 PWs) bands (ev): -41.7240 -41.7240 -21.8281 -21.8280 -20.2321 -20.2321 -19.5527 -19.5527 -19.0611 -19.0611 -17.2195 -17.2195 -10.5881 -10.5880 -7.7482 -7.7475 -7.0286 -7.0274 -5.5317 -5.5305 -4.8872 -4.8865 -4.1188 -4.1177 -3.7232 -3.7221 -3.5016 -3.5001 -2.7860 -2.7828 -2.5489 -2.5456 -1.2192 -1.2188 -0.9541 -0.9534 -0.6557 -0.6529 0.3028 0.3033 0.7009 0.7047 1.0714 1.0738 4.6870 4.6872 7.7964 7.7971 8.3048 8.3054 10.0908 10.0912 k = 0.0000 0.1707 0.1094 ( 12210 PWs) bands (ev): -41.7240 -41.7240 -21.8252 -21.8252 -20.2318 -20.2318 -19.5622 -19.5622 -19.0597 -19.0597 -17.2153 -17.2153 -10.5692 -10.5691 -7.7548 -7.7540 -7.0527 -7.0514 -5.5358 -5.5347 -4.8964 -4.8957 -4.1236 -4.1224 -3.7176 -3.7167 -3.5057 -3.5041 -2.7705 -2.7672 -2.5439 -2.5406 -1.2268 -1.2264 -0.9494 -0.9487 -0.6631 -0.6603 0.3055 0.3060 0.7244 0.7283 1.0817 1.0842 4.6934 4.6936 7.8272 7.8279 8.2992 8.2998 10.0676 10.0680 k = 0.0000 0.1797 0.1151 ( 12211 PWs) bands (ev): -41.7240 -41.7240 -21.8223 -21.8223 -20.2314 -20.2314 -19.5716 -19.5716 -19.0583 -19.0583 -17.2111 -17.2111 -10.5499 -10.5498 -7.7621 -7.7613 -7.0766 -7.0753 -5.5399 -5.5389 -4.9057 -4.9050 -4.1280 -4.1269 -3.7119 -3.7112 -3.5088 -3.5071 -2.7560 -2.7526 -2.5390 -2.5355 -1.2345 -1.2341 -0.9448 -0.9439 -0.6700 -0.6672 0.3080 0.3085 0.7477 0.7517 1.0911 1.0938 4.6998 4.7000 7.8590 7.8599 8.2945 8.2952 10.0466 10.0471 k = 0.0000 0.1887 0.1209 ( 12206 PWs) bands (ev): -41.7240 -41.7240 -21.8195 -21.8195 -20.2310 -20.2310 -19.5809 -19.5809 -19.0571 -19.0571 -17.2070 -17.2070 -10.5303 -10.5302 -7.7700 -7.7692 -7.1003 -7.0990 -5.5439 -5.5429 -4.9150 -4.9143 -4.1320 -4.1310 -3.7062 -3.7057 -3.5109 -3.5090 -2.7424 -2.7390 -2.5342 -2.5306 -1.2421 -1.2417 -0.9400 -0.9390 -0.6763 -0.6736 0.3104 0.3109 0.7708 0.7749 1.0997 1.1025 4.7062 4.7064 7.8916 7.8925 8.2912 8.2921 10.0278 10.0282 k = 0.0000 0.1977 0.1266 ( 12205 PWs) bands (ev): -41.7240 -41.7240 -21.8167 -21.8166 -20.2306 -20.2306 -19.5900 -19.5900 -19.0560 -19.0560 -17.2029 -17.2029 -10.5106 -10.5105 -7.7786 -7.7778 -7.1234 -7.1221 -5.5478 -5.5468 -4.9243 -4.9236 -4.1358 -4.1347 -3.7007 -3.7001 -3.5121 -3.5100 -2.7298 -2.7264 -2.5294 -2.5259 -1.2497 -1.2492 -0.9353 -0.9342 -0.6821 -0.6793 0.3126 0.3131 0.7935 0.7976 1.1074 1.1103 4.7126 4.7128 7.9242 7.9252 8.2900 8.2909 10.0108 10.0112 k = 0.0000 0.2067 0.1324 ( 12204 PWs) bands (ev): -41.7240 -41.7240 -21.8139 -21.8139 -20.2301 -20.2301 -19.5989 -19.5989 -19.0550 -19.0549 -17.1988 -17.1988 -10.4909 -10.4908 -7.7878 -7.7869 -7.1459 -7.1446 -5.5515 -5.5506 -4.9334 -4.9328 -4.1391 -4.1382 -3.6952 -3.6946 -3.5123 -3.5100 -2.7181 -2.7147 -2.5249 -2.5213 -1.2571 -1.2566 -0.9306 -0.9295 -0.6873 -0.6846 0.3147 0.3152 0.8155 0.8197 1.1143 1.1173 4.7189 4.7191 7.9560 7.9571 8.2916 8.2927 9.9956 9.9960 k = 0.0000 0.2157 0.1381 ( 12205 PWs) bands (ev): -41.7240 -41.7240 -21.8112 -21.8112 -20.2296 -20.2296 -19.6076 -19.6075 -19.0541 -19.0540 -17.1949 -17.1949 -10.4714 -10.4713 -7.7975 -7.7966 -7.1675 -7.1662 -5.5551 -5.5542 -4.9424 -4.9419 -4.1421 -4.1412 -3.6900 -3.6892 -3.5116 -3.5092 -2.7075 -2.7041 -2.5205 -2.5170 -1.2643 -1.2638 -0.9260 -0.9247 -0.6920 -0.6893 0.3166 0.3171 0.8367 0.8409 1.1204 1.1235 4.7251 4.7253 7.9860 7.9872 8.2971 8.2982 9.9819 9.9823 k = 0.0000 0.2246 0.1439 ( 12207 PWs) bands (ev): -41.7240 -41.7240 -21.8086 -21.8086 -20.2291 -20.2291 -19.6159 -19.6159 -19.0532 -19.0532 -17.1912 -17.1912 -10.4521 -10.4520 -7.8076 -7.8067 -7.1882 -7.1870 -5.5585 -5.5576 -4.9512 -4.9507 -4.1448 -4.1440 -3.6850 -3.6841 -3.5101 -3.5076 -2.6977 -2.6944 -2.5163 -2.5129 -1.2712 -1.2708 -0.9214 -0.9201 -0.6962 -0.6936 0.3184 0.3188 0.8570 0.8611 1.1259 1.1291 4.7311 4.7313 8.0129 8.0141 8.3076 8.3088 9.9693 9.9696 k = 0.0000 0.2336 0.1496 ( 12208 PWs) bands (ev): -41.7240 -41.7240 -21.8061 -21.8061 -20.2286 -20.2286 -19.6238 -19.6238 -19.0525 -19.0525 -17.1876 -17.1876 -10.4333 -10.4332 -7.8180 -7.8171 -7.2078 -7.2065 -5.5616 -5.5608 -4.9596 -4.9591 -4.1472 -4.1465 -3.6803 -3.6792 -3.5079 -3.5054 -2.6889 -2.6857 -2.5124 -2.5091 -1.2779 -1.2775 -0.9170 -0.9156 -0.7000 -0.6973 0.3200 0.3204 0.8761 0.8802 1.1307 1.1339 4.7368 4.7370 8.0355 8.0368 8.3242 8.3255 9.9573 9.9577 k = 0.0000 0.2426 0.1554 ( 12208 PWs) bands (ev): -41.7240 -41.7240 -21.8037 -21.8037 -20.2280 -20.2280 -19.6313 -19.6313 -19.0519 -19.0519 -17.1842 -17.1842 -10.4152 -10.4151 -7.8285 -7.8277 -7.2261 -7.2249 -5.5645 -5.5638 -4.9677 -4.9672 -4.1493 -4.1486 -3.6758 -3.6747 -3.5051 -3.5026 -2.6809 -2.6778 -2.5088 -2.5056 -1.2843 -1.2838 -0.9127 -0.9113 -0.7032 -0.7007 0.3214 0.3218 0.8939 0.8980 1.1350 1.1383 4.7424 4.7426 8.0531 8.0543 8.3474 8.3487 9.9454 9.9458 k = 0.0000 0.2516 0.1612 ( 12212 PWs) bands (ev): -41.7240 -41.7240 -21.8014 -21.8014 -20.2275 -20.2275 -19.6383 -19.6383 -19.0513 -19.0513 -17.1810 -17.1810 -10.3978 -10.3977 -7.8390 -7.8382 -7.2430 -7.2419 -5.5671 -5.5665 -4.9753 -4.9749 -4.1511 -4.1505 -3.6717 -3.6705 -3.5019 -3.4995 -2.6738 -2.6709 -2.5054 -2.5024 -1.2902 -1.2898 -0.9085 -0.9072 -0.7061 -0.7036 0.3227 0.3231 0.9104 0.9144 1.1389 1.1421 4.7476 4.7478 8.0656 8.0668 8.3769 8.3781 9.9323 9.9327 k = 0.0000 0.2606 0.1669 ( 12208 PWs) bands (ev): -41.7240 -41.7240 -21.7994 -21.7994 -20.2269 -20.2269 -19.6449 -19.6448 -19.0509 -19.0509 -17.1780 -17.1780 -10.3814 -10.3813 -7.8493 -7.8486 -7.2586 -7.2575 -5.5695 -5.5690 -4.9824 -4.9820 -4.1527 -4.1521 -3.6680 -3.6668 -3.4983 -3.4960 -2.6676 -2.6648 -2.5023 -2.4995 -1.2958 -1.2954 -0.9046 -0.9033 -0.7085 -0.7062 0.3238 0.3242 0.9253 0.9291 1.1425 1.1456 4.7524 4.7526 8.0739 8.0749 8.4116 8.4128 9.9164 9.9170 k = 0.0000 0.2696 0.1727 ( 12211 PWs) bands (ev): -41.7240 -41.7240 -21.7975 -21.7975 -20.2264 -20.2264 -19.6508 -19.6508 -19.0505 -19.0505 -17.1753 -17.1753 -10.3661 -10.3661 -7.8593 -7.8586 -7.2726 -7.2716 -5.5717 -5.5712 -4.9889 -4.9885 -4.1540 -4.1536 -3.6646 -3.6634 -3.4946 -3.4924 -2.6620 -2.6595 -2.4995 -2.4969 -1.3008 -1.3005 -0.9010 -0.8997 -0.7106 -0.7085 0.3248 0.3251 0.9387 0.9423 1.1457 1.1487 4.7569 4.7571 8.0789 8.0798 8.4501 8.4511 9.8954 9.8961 k = 0.0000 0.2786 0.1784 ( 12210 PWs) bands (ev): -41.7240 -41.7240 -21.7957 -21.7957 -20.2259 -20.2259 -19.6562 -19.6561 -19.0501 -19.0501 -17.1729 -17.1729 -10.3522 -10.3521 -7.8687 -7.8680 -7.2850 -7.2842 -5.5736 -5.5731 -4.9948 -4.9945 -4.1552 -4.1548 -3.6615 -3.6604 -3.4909 -3.4888 -2.6573 -2.6550 -2.4971 -2.4947 -1.3054 -1.3051 -0.8976 -0.8964 -0.7124 -0.7104 0.3256 0.3259 0.9504 0.9537 1.1487 1.1515 4.7610 4.7611 8.0815 8.0823 8.4905 8.4915 9.8671 9.8678 k = 0.0000 0.2875 0.1842 ( 12212 PWs) bands (ev): -41.7240 -41.7240 -21.7942 -21.7942 -20.2254 -20.2254 -19.6609 -19.6609 -19.0499 -19.0499 -17.1708 -17.1708 -10.3398 -10.3397 -7.8773 -7.8767 -7.2959 -7.2951 -5.5752 -5.5748 -5.0000 -4.9997 -4.1561 -4.1558 -3.6589 -3.6579 -3.4872 -3.4854 -2.6532 -2.6512 -2.4949 -2.4929 -1.3094 -1.3091 -0.8946 -0.8935 -0.7139 -0.7121 0.3263 0.3266 0.9605 0.9634 1.1515 1.1540 4.7645 4.7647 8.0826 8.0833 8.5314 8.5322 9.8314 9.8321 k = 0.0000 0.2965 0.1899 ( 12219 PWs) bands (ev): -41.7240 -41.7240 -21.7929 -21.7929 -20.2250 -20.2250 -19.6649 -19.6649 -19.0496 -19.0496 -17.1689 -17.1689 -10.3289 -10.3289 -7.8849 -7.8845 -7.3051 -7.3045 -5.5765 -5.5762 -5.0044 -5.0042 -4.1569 -4.1566 -3.6566 -3.6558 -3.4839 -3.4823 -2.6497 -2.6480 -2.4931 -2.4913 -1.3129 -1.3126 -0.8920 -0.8910 -0.7150 -0.7135 0.3269 0.3271 0.9689 0.9715 1.1540 1.1562 4.7676 4.7677 8.0828 8.0833 8.5710 8.5717 9.7914 9.7920 k = 0.0000 0.3055 0.1957 ( 12211 PWs) bands (ev): -41.7240 -41.7240 -21.7919 -21.7918 -20.2247 -20.2247 -19.6683 -19.6683 -19.0495 -19.0495 -17.1674 -17.1674 -10.3199 -10.3198 -7.8914 -7.8910 -7.3126 -7.3121 -5.5776 -5.5774 -5.0082 -5.0080 -4.1575 -4.1573 -3.6548 -3.6540 -3.4809 -3.4796 -2.6469 -2.6456 -2.4915 -2.4901 -1.3157 -1.3155 -0.8897 -0.8889 -0.7159 -0.7146 0.3273 0.3275 0.9757 0.9778 1.1563 1.1581 4.7702 4.7703 8.0825 8.0829 8.6075 8.6080 9.7516 9.7521 k = 0.0000 0.3145 0.2015 ( 12208 PWs) bands (ev): -41.7240 -41.7240 -21.7910 -21.7910 -20.2244 -20.2244 -19.6709 -19.6709 -19.0493 -19.0493 -17.1662 -17.1662 -10.3127 -10.3126 -7.8967 -7.8964 -7.3185 -7.3181 -5.5785 -5.5783 -5.0111 -5.0109 -4.1580 -4.1578 -3.6533 -3.6527 -3.4784 -3.4774 -2.6448 -2.6437 -2.4903 -2.4892 -1.3179 -1.3178 -0.8879 -0.8872 -0.7166 -0.7156 0.3277 0.3278 0.9810 0.9826 1.1582 1.1596 4.7722 4.7723 8.0820 8.0823 8.6389 8.6394 9.7161 9.7165 k = 0.0000 0.3235 0.2072 ( 12200 PWs) bands (ev): -41.7240 -41.7240 -21.7904 -21.7904 -20.2242 -20.2242 -19.6728 -19.6728 -19.0493 -19.0492 -17.1654 -17.1654 -10.3075 -10.3074 -7.9005 -7.9003 -7.3227 -7.3224 -5.5791 -5.5789 -5.0132 -5.0131 -4.1583 -4.1582 -3.6522 -3.6518 -3.4765 -3.4759 -2.6432 -2.6424 -2.4894 -2.4886 -1.3195 -1.3194 -0.8865 -0.8861 -0.7170 -0.7163 0.3279 0.3280 0.9848 0.9859 1.1597 1.1606 4.7737 4.7737 8.0815 8.0817 8.6634 8.6637 9.6882 9.6884 k = 0.0000 0.3325 0.2130 ( 12197 PWs) bands (ev): -41.7240 -41.7240 -21.7900 -21.7900 -20.2241 -20.2241 -19.6739 -19.6739 -19.0492 -19.0492 -17.1649 -17.1649 -10.3043 -10.3043 -7.9028 -7.9027 -7.3251 -7.3250 -5.5794 -5.5793 -5.0144 -5.0144 -4.1584 -4.1584 -3.6515 -3.6513 -3.4753 -3.4750 -2.6421 -2.6418 -2.4887 -2.4884 -1.3205 -1.3205 -0.8857 -0.8855 -0.7171 -0.7168 0.3281 0.3281 0.9872 0.9877 1.1607 1.1612 4.7746 4.7746 8.0812 8.0813 8.6790 8.6792 9.6703 9.6704 k = 0.0000 0.3415 0.2187 ( 12202 PWs) bands (ev): -41.7240 -41.7240 -21.7899 -21.7899 -20.2241 -20.2241 -19.6743 -19.6743 -19.0492 -19.0492 -17.1647 -17.1647 -10.3033 -10.3033 -7.9035 -7.9035 -7.3259 -7.3259 -5.5795 -5.5795 -5.0148 -5.0148 -4.1585 -4.1585 -3.6512 -3.6512 -3.4748 -3.4748 -2.6417 -2.6417 -2.4884 -2.4884 -1.3208 -1.3208 -0.8853 -0.8853 -0.7171 -0.7171 0.3282 0.3282 0.9881 0.9881 1.1612 1.1612 4.7749 4.7749 8.0811 8.0811 8.6844 8.6844 9.6642 9.6642 k = 0.5000 0.2629 0.1886 ( 12168 PWs) bands (ev): -41.7213 -41.7213 -21.7135 -21.7135 -20.1843 -20.1843 -19.3917 -19.3917 -19.0617 -19.0617 -17.2568 -17.2568 -10.7846 -10.7846 -7.6234 -7.6234 -6.8131 -6.8131 -5.4843 -5.4843 -5.4520 -5.4520 -4.6769 -4.6769 -4.0679 -4.0679 -3.3945 -3.3945 -2.9851 -2.9851 -2.8015 -2.8015 -1.6990 -1.6990 -1.2073 -1.2073 -0.7098 -0.7098 0.1948 0.1948 0.4109 0.4109 0.9948 0.9948 4.8199 4.8199 8.3826 8.3826 10.9206 10.9206 11.1659 11.1659 k = 0.4909 0.2581 0.1852 ( 12168 PWs) bands (ev): -41.7213 -41.7213 -21.7136 -21.7136 -20.1844 -20.1844 -19.3918 -19.3918 -19.0617 -19.0617 -17.2568 -17.2568 -10.7846 -10.7846 -7.6235 -7.6234 -6.8131 -6.8130 -5.4840 -5.4838 -5.4514 -5.4512 -4.6770 -4.6769 -4.0677 -4.0676 -3.3950 -3.3946 -2.9848 -2.9843 -2.8018 -2.8016 -1.6987 -1.6986 -1.2072 -1.2072 -0.7097 -0.7097 0.1948 0.1949 0.4109 0.4110 0.9948 0.9949 4.8200 4.8200 8.3826 8.3827 10.9130 10.9135 11.1659 11.1666 k = 0.4818 0.2533 0.1818 ( 12164 PWs) bands (ev): -41.7213 -41.7213 -21.7140 -21.7140 -20.1845 -20.1845 -19.3919 -19.3919 -19.0618 -19.0618 -17.2568 -17.2568 -10.7846 -10.7846 -7.6236 -7.6236 -6.8130 -6.8129 -5.4829 -5.4825 -5.4494 -5.4490 -4.6773 -4.6770 -4.0672 -4.0669 -3.3961 -3.3955 -2.9835 -2.9825 -2.8024 -2.8021 -1.6977 -1.6976 -1.2069 -1.2069 -0.7093 -0.7093 0.1949 0.1951 0.4110 0.4112 0.9948 0.9949 4.8205 4.8205 8.3826 8.3827 10.8914 10.8923 11.1668 11.1680 k = 0.4727 0.2486 0.1784 ( 12172 PWs) bands (ev): -41.7213 -41.7213 -21.7146 -21.7146 -20.1847 -20.1847 -19.3922 -19.3922 -19.0618 -19.0618 -17.2569 -17.2569 -10.7845 -10.7845 -7.6239 -7.6239 -6.8129 -6.8127 -5.4813 -5.4808 -5.4458 -5.4451 -4.6777 -4.6773 -4.0662 -4.0658 -3.3979 -3.3969 -2.9811 -2.9797 -2.8033 -2.8029 -1.6960 -1.6958 -1.2064 -1.2063 -0.7088 -0.7086 0.1952 0.1954 0.4112 0.4115 0.9947 0.9950 4.8213 4.8214 8.3826 8.3828 10.8575 10.8585 11.1688 11.1703 k = 0.4636 0.2438 0.1749 ( 12172 PWs) bands (ev): -41.7213 -41.7213 -21.7154 -21.7154 -20.1851 -20.1851 -19.3925 -19.3925 -19.0619 -19.0619 -17.2569 -17.2569 -10.7844 -10.7844 -7.6243 -7.6243 -6.8126 -6.8125 -5.4795 -5.4788 -5.4403 -5.4395 -4.6783 -4.6778 -4.0647 -4.0642 -3.4003 -3.3990 -2.9779 -2.9760 -2.8046 -2.8040 -1.6936 -1.6934 -1.2057 -1.2056 -0.7079 -0.7078 0.1955 0.1958 0.4115 0.4119 0.9947 0.9950 4.8224 4.8225 8.3826 8.3829 10.8131 10.8142 11.1720 11.1737 k = 0.4545 0.2390 0.1715 ( 12174 PWs) bands (ev): -41.7213 -41.7213 -21.7165 -21.7165 -20.1855 -20.1855 -19.3929 -19.3929 -19.0620 -19.0620 -17.2570 -17.2570 -10.7843 -10.7843 -7.6248 -7.6248 -6.8124 -6.8122 -5.4775 -5.4767 -5.4327 -5.4318 -4.6790 -4.6784 -4.0628 -4.0622 -3.4032 -3.4016 -2.9737 -2.9714 -2.8061 -2.8054 -1.6905 -1.6903 -1.2048 -1.2046 -0.7068 -0.7066 0.1959 0.1963 0.4119 0.4124 0.9947 0.9950 4.8238 4.8238 8.3827 8.3830 10.7603 10.7614 11.1765 11.1781 k = 0.4455 0.2342 0.1681 ( 12173 PWs) bands (ev): -41.7213 -41.7213 -21.7177 -21.7177 -20.1860 -20.1860 -19.3935 -19.3935 -19.0621 -19.0621 -17.2570 -17.2570 -10.7842 -10.7842 -7.6255 -7.6254 -6.8120 -6.8118 -5.4756 -5.4748 -5.4229 -5.4220 -4.6799 -4.6791 -4.0605 -4.0598 -3.4066 -3.4048 -2.9687 -2.9660 -2.8080 -2.8070 -1.6867 -1.6864 -1.2037 -1.2035 -0.7055 -0.7053 0.1965 0.1969 0.4124 0.4130 0.9946 0.9951 4.8253 4.8254 8.3827 8.3831 10.7008 10.7018 11.1820 11.1836 k = 0.4364 0.2294 0.1646 ( 12172 PWs) bands (ev): -41.7214 -41.7214 -21.7192 -21.7192 -20.1866 -20.1866 -19.3941 -19.3941 -19.0623 -19.0623 -17.2571 -17.2571 -10.7841 -10.7840 -7.6262 -7.6261 -6.8116 -6.8113 -5.4738 -5.4730 -5.4110 -5.4100 -4.6809 -4.6799 -4.0578 -4.0569 -3.4104 -3.4084 -2.9630 -2.9600 -2.8100 -2.8089 -1.6822 -1.6819 -1.2024 -1.2022 -0.7039 -0.7036 0.1971 0.1977 0.4130 0.4136 0.9946 0.9951 4.8271 4.8272 8.3828 8.3832 10.6358 10.6367 11.1886 11.1901 k = 0.4273 0.2247 0.1612 ( 12174 PWs) bands (ev): -41.7214 -41.7214 -21.7210 -21.7210 -20.1873 -20.1873 -19.3948 -19.3948 -19.0624 -19.0624 -17.2572 -17.2572 -10.7839 -10.7838 -7.6271 -7.6269 -6.8111 -6.8108 -5.4722 -5.4713 -5.3970 -5.3960 -4.6820 -4.6809 -4.0546 -4.0537 -3.4146 -3.4123 -2.9568 -2.9533 -2.8122 -2.8109 -1.6769 -1.6766 -1.2009 -1.2007 -0.7020 -0.7017 0.1979 0.1985 0.4136 0.4143 0.9945 0.9951 4.8289 4.8290 8.3829 8.3833 10.5664 10.5673 11.1960 11.1973 k = 0.4182 0.2199 0.1578 ( 12173 PWs) bands (ev): -41.7214 -41.7214 -21.7229 -21.7229 -20.1880 -20.1880 -19.3956 -19.3956 -19.0626 -19.0626 -17.2573 -17.2573 -10.7837 -10.7836 -7.6280 -7.6279 -6.8105 -6.8102 -5.4706 -5.4697 -5.3809 -5.3800 -4.6832 -4.6820 -4.0510 -4.0500 -3.4190 -3.4166 -2.9500 -2.9462 -2.8146 -2.8131 -1.6710 -1.6706 -1.1992 -1.1990 -0.6999 -0.6996 0.1988 0.1995 0.4143 0.4151 0.9943 0.9950 4.8308 4.8309 8.3830 8.3835 10.4934 10.4942 11.2039 11.2052 k = 0.4091 0.2151 0.1543 ( 12184 PWs) bands (ev): -41.7215 -41.7215 -21.7250 -21.7250 -20.1888 -20.1888 -19.3964 -19.3964 -19.0629 -19.0629 -17.2574 -17.2574 -10.7835 -10.7834 -7.6291 -7.6289 -6.8099 -6.8095 -5.4690 -5.4682 -5.3630 -5.3620 -4.6845 -4.6832 -4.0470 -4.0459 -3.4236 -3.4211 -2.9429 -2.9388 -2.8170 -2.8153 -1.6643 -1.6638 -1.1974 -1.1972 -0.6975 -0.6972 0.1997 0.2006 0.4151 0.4159 0.9942 0.9949 4.8327 4.8328 8.3831 8.3836 10.4175 10.4183 11.2123 11.2134 k = 0.4000 0.2103 0.1509 ( 12186 PWs) bands (ev): -41.7215 -41.7215 -21.7274 -21.7274 -20.1897 -20.1897 -19.3973 -19.3973 -19.0631 -19.0631 -17.2575 -17.2575 -10.7833 -10.7832 -7.6303 -7.6301 -6.8091 -6.8087 -5.4676 -5.4667 -5.3432 -5.3422 -4.6859 -4.6845 -4.0426 -4.0414 -3.4284 -3.4257 -2.9355 -2.9311 -2.8194 -2.8175 -1.6568 -1.6563 -1.1955 -1.1952 -0.6948 -0.6945 0.2008 0.2018 0.4159 0.4168 0.9940 0.9947 4.8345 4.8346 8.3832 8.3838 10.3392 10.3399 11.2208 11.2218 k = 0.3909 0.2055 0.1475 ( 12186 PWs) bands (ev): -41.7216 -41.7216 -21.7299 -21.7299 -20.1907 -20.1907 -19.3983 -19.3983 -19.0634 -19.0634 -17.2576 -17.2576 -10.7831 -10.7830 -7.6316 -7.6314 -6.8083 -6.8079 -5.4662 -5.4653 -5.3216 -5.3207 -4.6874 -4.6858 -4.0377 -4.0364 -3.4333 -3.4305 -2.9280 -2.9233 -2.8217 -2.8197 -1.6486 -1.6481 -1.1934 -1.1931 -0.6919 -0.6915 0.2020 0.2031 0.4167 0.4176 0.9937 0.9945 4.8361 4.8362 8.3833 8.3839 10.2588 10.2596 11.2290 11.2299 k = 0.3818 0.2008 0.1441 ( 12193 PWs) bands (ev): -41.7216 -41.7216 -21.7326 -21.7326 -20.1918 -20.1918 -19.3994 -19.3994 -19.0637 -19.0637 -17.2578 -17.2578 -10.7828 -10.7827 -7.6330 -7.6327 -6.8075 -6.8070 -5.4648 -5.4639 -5.2984 -5.2974 -4.6889 -4.6873 -4.0324 -4.0311 -3.4382 -3.4354 -2.9206 -2.9156 -2.8239 -2.8216 -1.6396 -1.6391 -1.1911 -1.1908 -0.6887 -0.6883 0.2033 0.2045 0.4175 0.4185 0.9933 0.9942 4.8375 4.8376 8.3833 8.3840 10.1769 10.1776 11.2367 11.2374 k = 0.3727 0.1960 0.1406 ( 12188 PWs) bands (ev): -41.7217 -41.7217 -21.7355 -21.7355 -20.1929 -20.1928 -19.4005 -19.4005 -19.0641 -19.0640 -17.2579 -17.2579 -10.7826 -10.7825 -7.6345 -7.6342 -6.8065 -6.8060 -5.4635 -5.4625 -5.2736 -5.2726 -4.6905 -4.6888 -4.0267 -4.0253 -3.4432 -3.4403 -2.9133 -2.9081 -2.8257 -2.8232 -1.6299 -1.6293 -1.1888 -1.1885 -0.6852 -0.6848 0.2047 0.2061 0.4183 0.4193 0.9929 0.9938 4.8385 4.8387 8.3834 8.3841 10.0936 10.0943 11.2432 11.2438 k = 0.3636 0.1912 0.1372 ( 12193 PWs) bands (ev): -41.7217 -41.7217 -21.7386 -21.7386 -20.1940 -20.1940 -19.4017 -19.4017 -19.0644 -19.0644 -17.2581 -17.2581 -10.7823 -10.7822 -7.6361 -7.6358 -6.8055 -6.8050 -5.4622 -5.4613 -5.2472 -5.2463 -4.6921 -4.6903 -4.0206 -4.0191 -3.4480 -3.4452 -2.9064 -2.9010 -2.8271 -2.8244 -1.6194 -1.6188 -1.1863 -1.1860 -0.6815 -0.6810 0.2063 0.2078 0.4191 0.4202 0.9923 0.9933 4.8393 4.8394 8.3834 8.3842 10.0092 10.0100 11.2480 11.2486 k = 0.3545 0.1864 0.1338 ( 12198 PWs) bands (ev): -41.7218 -41.7218 -21.7418 -21.7418 -20.1952 -20.1952 -19.4030 -19.4030 -19.0648 -19.0648 -17.2583 -17.2583 -10.7820 -10.7819 -7.6377 -7.6375 -6.8044 -6.8039 -5.4610 -5.4601 -5.2195 -5.2186 -4.6937 -4.6918 -4.0141 -4.0126 -3.4529 -3.4500 -2.9000 -2.8945 -2.8278 -2.8250 -1.6081 -1.6076 -1.1837 -1.1834 -0.6775 -0.6770 0.2079 0.2096 0.4199 0.4210 0.9916 0.9927 4.8395 4.8397 8.3834 8.3842 9.9240 9.9248 11.2506 11.2511 k = 0.3455 0.1816 0.1303 ( 12197 PWs) bands (ev): -41.7219 -41.7219 -21.7452 -21.7451 -20.1964 -20.1964 -19.4042 -19.4042 -19.0652 -19.0652 -17.2585 -17.2584 -10.7818 -10.7816 -7.6395 -7.6393 -6.8032 -6.8027 -5.4600 -5.4590 -5.1904 -5.1895 -4.6953 -4.6933 -4.0071 -4.0056 -3.4576 -3.4547 -2.8942 -2.8887 -2.8278 -2.8250 -1.5961 -1.5955 -1.1811 -1.1807 -0.6732 -0.6728 0.2097 0.2116 0.4206 0.4217 0.9908 0.9919 4.8393 4.8395 8.3833 8.3841 9.8382 9.8390 11.2503 11.2507 k = 0.3364 0.1769 0.1269 ( 12196 PWs) bands (ev): -41.7219 -41.7219 -21.7487 -21.7486 -20.1977 -20.1977 -19.4055 -19.4055 -19.0657 -19.0657 -17.2587 -17.2586 -10.7815 -10.7813 -7.6414 -7.6411 -6.8020 -6.8014 -5.4590 -5.4580 -5.1602 -5.1592 -4.6968 -4.6947 -3.9998 -3.9982 -3.4621 -3.4592 -2.8893 -2.8839 -2.8269 -2.8241 -1.5833 -1.5828 -1.1783 -1.1779 -0.6687 -0.6683 0.2116 0.2136 0.4213 0.4224 0.9899 0.9910 4.8386 4.8388 8.3830 8.3839 9.7519 9.7527 11.2464 11.2468 k = 0.3273 0.1721 0.1235 ( 12200 PWs) bands (ev): -41.7220 -41.7220 -21.7523 -21.7523 -20.1991 -20.1990 -19.4069 -19.4069 -19.0662 -19.0662 -17.2589 -17.2589 -10.7812 -10.7810 -7.6434 -7.6431 -6.8006 -6.8001 -5.4581 -5.4571 -5.1288 -5.1279 -4.6983 -4.6961 -3.9921 -3.9905 -3.4665 -3.4637 -2.8853 -2.8801 -2.8249 -2.8223 -1.5698 -1.5693 -1.1755 -1.1751 -0.6640 -0.6635 0.2136 0.2158 0.4219 0.4230 0.9887 0.9899 4.8372 4.8374 8.3827 8.3836 9.6654 9.6663 11.2388 11.2391 k = 0.3182 0.1673 0.1200 ( 12198 PWs) bands (ev): -41.7221 -41.7221 -21.7560 -21.7560 -20.2004 -20.2004 -19.4083 -19.4083 -19.0667 -19.0667 -17.2591 -17.2591 -10.7809 -10.7807 -7.6454 -7.6451 -6.7993 -6.7987 -5.4573 -5.4563 -5.0965 -5.0955 -4.6996 -4.6974 -3.9839 -3.9824 -3.4707 -3.4679 -2.8822 -2.8774 -2.8220 -2.8197 -1.5557 -1.5551 -1.1725 -1.1721 -0.6591 -0.6586 0.2158 0.2182 0.4225 0.4236 0.9875 0.9887 4.8353 4.8355 8.3822 8.3831 9.5789 9.5798 11.2270 11.2273 k = 0.3091 0.1625 0.1166 ( 12195 PWs) bands (ev): -41.7221 -41.7221 -21.7598 -21.7598 -20.2018 -20.2018 -19.4097 -19.4097 -19.0672 -19.0672 -17.2593 -17.2593 -10.7806 -10.7804 -7.6476 -7.6473 -6.7978 -6.7973 -5.4567 -5.4557 -5.0633 -5.0624 -4.7008 -4.6984 -3.9754 -3.9739 -3.4747 -3.4720 -2.8799 -2.8755 -2.8182 -2.8162 -1.5408 -1.5403 -1.1695 -1.1691 -0.6539 -0.6535 0.2181 0.2206 0.4229 0.4241 0.9860 0.9873 4.8327 4.8328 8.3814 8.3824 9.4925 9.4935 11.2112 11.2114 k = 0.3000 0.1577 0.1132 ( 12196 PWs) bands (ev): -41.7222 -41.7222 -21.7638 -21.7637 -20.2032 -20.2031 -19.4111 -19.4111 -19.0678 -19.0678 -17.2596 -17.2595 -10.7803 -10.7801 -7.6498 -7.6495 -6.7964 -6.7958 -5.4562 -5.4552 -5.0296 -5.0286 -4.7017 -4.6992 -3.9666 -3.9650 -3.4785 -3.4758 -2.8783 -2.8744 -2.8139 -2.8122 -1.5253 -1.5248 -1.1664 -1.1660 -0.6486 -0.6482 0.2205 0.2232 0.4233 0.4244 0.9844 0.9857 4.8294 4.8296 8.3804 8.3815 9.4065 9.4075 11.1917 11.1919 k = 0.2909 0.1530 0.1098 ( 12200 PWs) bands (ev): -41.7223 -41.7223 -21.7677 -21.7677 -20.2046 -20.2045 -19.4125 -19.4125 -19.0684 -19.0684 -17.2598 -17.2598 -10.7800 -10.7798 -7.6521 -7.6517 -6.7948 -6.7943 -5.4559 -5.4549 -4.9954 -4.9943 -4.7021 -4.6995 -3.9573 -3.9558 -3.4821 -3.4794 -2.8773 -2.8738 -2.8092 -2.8076 -1.5093 -1.5088 -1.1632 -1.1627 -0.6432 -0.6427 0.2230 0.2260 0.4235 0.4247 0.9826 0.9839 4.8254 4.8256 8.3791 8.3802 9.3210 9.3221 11.1690 11.1691 k = 0.2818 0.1482 0.1063 ( 12195 PWs) bands (ev): -41.7224 -41.7224 -21.7718 -21.7718 -20.2060 -20.2060 -19.4139 -19.4139 -19.0690 -19.0690 -17.2601 -17.2600 -10.7797 -10.7796 -7.6544 -7.6541 -6.7933 -6.7927 -5.4557 -5.4547 -4.9612 -4.9600 -4.7020 -4.6992 -3.9478 -3.9463 -3.4854 -3.4828 -2.8766 -2.8736 -2.8042 -2.8027 -1.4927 -1.4922 -1.1599 -1.1594 -0.6376 -0.6371 0.2256 0.2288 0.4237 0.4248 0.9806 0.9820 4.8208 4.8210 8.3774 8.3786 9.2363 9.2374 11.1435 11.1436 k = 0.2727 0.1434 0.1029 ( 12195 PWs) bands (ev): -41.7224 -41.7224 -21.7759 -21.7759 -20.2074 -20.2074 -19.4154 -19.4154 -19.0696 -19.0696 -17.2603 -17.2603 -10.7794 -10.7793 -7.6568 -7.6565 -6.7917 -6.7911 -5.4557 -5.4547 -4.9273 -4.9259 -4.7010 -4.6980 -3.9379 -3.9364 -3.4884 -3.4858 -2.8764 -2.8737 -2.7991 -2.7975 -1.4756 -1.4751 -1.1565 -1.1560 -0.6319 -0.6314 0.2284 0.2317 0.4237 0.4249 0.9783 0.9798 4.8155 4.8157 8.3752 8.3764 9.1525 9.1538 11.1159 11.1160 k = 0.2636 0.1386 0.0995 ( 12192 PWs) bands (ev): -41.7225 -41.7225 -21.7800 -21.7800 -20.2088 -20.2088 -19.4168 -19.4168 -19.0703 -19.0703 -17.2606 -17.2606 -10.7792 -10.7790 -7.6592 -7.6589 -6.7901 -6.7895 -5.4558 -5.4548 -4.8943 -4.8927 -4.6985 -4.6953 -3.9278 -3.9263 -3.4911 -3.4886 -2.8765 -2.8740 -2.7939 -2.7922 -1.4581 -1.4576 -1.1530 -1.1525 -0.6261 -0.6256 0.2312 0.2348 0.4235 0.4248 0.9759 0.9774 4.8096 4.8098 8.3723 8.3736 9.0700 9.0714 11.0868 11.0870 k = 0.2545 0.1338 0.0960 ( 12191 PWs) bands (ev): -41.7226 -41.7226 -21.7842 -21.7842 -20.2102 -20.2102 -19.4182 -19.4182 -19.0710 -19.0710 -17.2609 -17.2609 -10.7789 -10.7787 -7.6617 -7.6614 -6.7884 -6.7878 -5.4561 -5.4551 -4.8632 -4.8614 -4.6939 -4.6903 -3.9174 -3.9159 -3.4934 -3.4910 -2.8769 -2.8746 -2.7885 -2.7868 -1.4403 -1.4398 -1.1494 -1.1489 -0.6202 -0.6198 0.2341 0.2379 0.4233 0.4246 0.9733 0.9748 4.8031 4.8032 8.3685 8.3700 8.9892 8.9907 11.0568 11.0570 k = 0.2455 0.1291 0.0926 ( 12192 PWs) bands (ev): -41.7227 -41.7227 -21.7883 -21.7883 -20.2116 -20.2116 -19.4196 -19.4196 -19.0717 -19.0717 -17.2612 -17.2611 -10.7786 -10.7785 -7.6643 -7.6639 -6.7867 -6.7862 -5.4565 -5.4555 -4.8354 -4.8332 -4.6857 -4.6818 -3.9068 -3.9053 -3.4954 -3.4930 -2.8776 -2.8755 -2.7830 -2.7812 -1.4222 -1.4217 -1.1457 -1.1451 -0.6143 -0.6139 0.2371 0.2411 0.4230 0.4243 0.9705 0.9721 4.7960 4.7961 8.3636 8.3652 8.9104 8.9121 11.0263 11.0265 k = 0.2364 0.1243 0.0892 ( 12190 PWs) bands (ev): -41.7227 -41.7227 -21.7925 -21.7925 -20.2129 -20.2129 -19.4210 -19.4210 -19.0724 -19.0724 -17.2614 -17.2614 -10.7784 -10.7782 -7.6668 -7.6665 -6.7851 -6.7845 -5.4571 -5.4561 -4.8124 -4.8099 -4.6724 -4.6683 -3.8960 -3.8946 -3.4970 -3.4946 -2.8788 -2.8769 -2.7773 -2.7754 -1.4039 -1.4034 -1.1418 -1.1413 -0.6085 -0.6081 0.2402 0.2444 0.4225 0.4239 0.9675 0.9691 4.7884 4.7885 8.3571 8.3589 8.8342 8.8361 10.9958 10.9960 k = 0.2273 0.1195 0.0857 ( 12199 PWs) bands (ev): -41.7228 -41.7228 -21.7966 -21.7966 -20.2143 -20.2143 -19.4224 -19.4224 -19.0731 -19.0731 -17.2617 -17.2617 -10.7782 -10.7780 -7.6694 -7.6691 -6.7834 -6.7828 -5.4578 -5.4568 -4.7953 -4.7928 -4.6529 -4.6489 -3.8851 -3.8837 -3.4982 -3.4958 -2.8805 -2.8786 -2.7714 -2.7695 -1.3855 -1.3850 -1.1378 -1.1372 -0.6026 -0.6023 0.2433 0.2476 0.4219 0.4234 0.9643 0.9660 4.7803 4.7805 8.3483 8.3503 8.7614 8.7636 10.9657 10.9660 k = 0.2182 0.1147 0.0823 ( 12195 PWs) bands (ev): -41.7229 -41.7229 -21.8007 -21.8007 -20.2156 -20.2156 -19.4237 -19.4237 -19.0739 -19.0739 -17.2620 -17.2620 -10.7779 -10.7778 -7.6720 -7.6717 -6.7817 -6.7812 -5.4586 -5.4577 -4.7839 -4.7816 -4.6275 -4.6238 -3.8742 -3.8728 -3.4988 -3.4965 -2.8828 -2.8810 -2.7651 -2.7632 -1.3672 -1.3667 -1.1337 -1.1331 -0.5968 -0.5965 0.2463 0.2509 0.4213 0.4229 0.9610 0.9627 4.7719 4.7720 8.3362 8.3385 8.6933 8.6957 10.9363 10.9366 k = 0.2091 0.1099 0.0789 ( 12196 PWs) bands (ev): -41.7230 -41.7230 -21.8048 -21.8048 -20.2169 -20.2169 -19.4250 -19.4250 -19.0746 -19.0746 -17.2623 -17.2623 -10.7777 -10.7775 -7.6746 -7.6743 -6.7801 -6.7795 -5.4595 -5.4586 -4.7770 -4.7749 -4.5978 -4.5944 -3.8633 -3.8619 -3.4989 -3.4966 -2.8857 -2.8839 -2.7586 -2.7566 -1.3489 -1.3484 -1.1293 -1.1287 -0.5911 -0.5908 0.2494 0.2541 0.4207 0.4223 0.9575 0.9593 4.7631 4.7632 8.3195 8.3220 8.6313 8.6340 10.9080 10.9083 k = 0.2000 0.1052 0.0755 ( 12195 PWs) bands (ev): -41.7230 -41.7230 -21.8088 -21.8088 -20.2181 -20.2181 -19.4263 -19.4263 -19.0754 -19.0754 -17.2626 -17.2626 -10.7775 -10.7773 -7.6772 -7.6769 -6.7784 -6.7779 -5.4606 -5.4597 -4.7731 -4.7712 -4.5653 -4.5622 -3.8525 -3.8511 -3.4984 -3.4961 -2.8894 -2.8876 -2.7516 -2.7497 -1.3309 -1.3303 -1.1247 -1.1241 -0.5855 -0.5852 0.2523 0.2571 0.4200 0.4217 0.9539 0.9557 4.7540 4.7542 8.2961 8.2988 8.5777 8.5806 10.8809 10.8813 k = 0.1909 0.1004 0.0720 ( 12195 PWs) bands (ev): -41.7231 -41.7231 -21.8127 -21.8127 -20.2194 -20.2194 -19.4275 -19.4275 -19.0762 -19.0761 -17.2629 -17.2629 -10.7773 -10.7771 -7.6798 -7.6794 -6.7768 -6.7763 -5.4617 -5.4609 -4.7712 -4.7695 -4.5314 -4.5285 -3.8420 -3.8405 -3.4972 -3.4948 -2.8938 -2.8920 -2.7443 -2.7425 -1.3132 -1.3126 -1.1199 -1.1193 -0.5800 -0.5797 0.2551 0.2600 0.4194 0.4212 0.9502 0.9520 4.7448 4.7449 8.2646 8.2673 8.5341 8.5370 10.8554 10.8557 k = 0.1818 0.0956 0.0686 ( 12199 PWs) bands (ev): -41.7232 -41.7232 -21.8166 -21.8165 -20.2206 -20.2205 -19.4288 -19.4287 -19.0769 -19.0769 -17.2632 -17.2631 -10.7771 -10.7770 -7.6823 -7.6820 -6.7753 -6.7748 -5.4629 -5.4621 -4.7705 -4.7689 -4.4967 -4.4940 -3.8317 -3.8302 -3.4952 -3.4928 -2.8991 -2.8972 -2.7366 -2.7349 -1.2959 -1.2953 -1.1148 -1.1142 -0.5747 -0.5744 0.2576 0.2627 0.4189 0.4207 0.9464 0.9482 4.7355 4.7356 8.2248 8.2273 8.5010 8.5038 10.8316 10.8320 k = 0.1727 0.0908 0.0652 ( 12211 PWs) bands (ev): -41.7233 -41.7233 -21.8203 -21.8203 -20.2217 -20.2217 -19.4299 -19.4299 -19.0777 -19.0777 -17.2634 -17.2634 -10.7770 -10.7768 -7.6848 -7.6845 -6.7737 -6.7732 -5.4642 -5.4634 -4.7707 -4.7692 -4.4618 -4.4594 -3.8219 -3.8204 -3.4925 -3.4900 -2.9051 -2.9032 -2.7286 -2.7269 -1.2792 -1.2786 -1.1095 -1.1089 -0.5696 -0.5693 0.2600 0.2651 0.4184 0.4203 0.9425 0.9443 4.7261 4.7262 8.1780 8.1803 8.4771 8.4796 10.8098 10.8101 k = 0.1636 0.0860 0.0617 ( 12211 PWs) bands (ev): -41.7233 -41.7233 -21.8239 -21.8239 -20.2228 -20.2228 -19.4310 -19.4310 -19.0784 -19.0784 -17.2637 -17.2637 -10.7768 -10.7767 -7.6873 -7.6870 -6.7722 -6.7717 -5.4655 -5.4648 -4.7714 -4.7700 -4.4272 -4.4249 -3.8126 -3.8110 -3.4888 -3.4863 -2.9120 -2.9100 -2.7203 -2.7187 -1.2631 -1.2626 -1.1038 -1.1033 -0.5646 -0.5643 0.2620 0.2671 0.4182 0.4201 0.9385 0.9404 4.7168 4.7169 8.1269 8.1289 8.4599 8.4621 10.7900 10.7903 k = 0.1545 0.0813 0.0583 ( 12219 PWs) bands (ev): -41.7234 -41.7234 -21.8274 -21.8274 -20.2238 -20.2238 -19.4321 -19.4321 -19.0791 -19.0791 -17.2640 -17.2640 -10.7767 -10.7765 -7.6897 -7.6894 -6.7708 -6.7703 -5.4669 -5.4662 -4.7724 -4.7711 -4.3931 -4.3909 -3.8040 -3.8023 -3.4842 -3.4816 -2.9198 -2.9177 -2.7118 -2.7103 -1.2479 -1.2473 -1.0978 -1.0973 -0.5599 -0.5596 0.2636 0.2687 0.4182 0.4201 0.9346 0.9365 4.7076 4.7077 8.0736 8.0753 8.4472 8.4492 10.7724 10.7727 k = 0.1455 0.0765 0.0549 ( 12216 PWs) bands (ev): -41.7235 -41.7235 -21.8308 -21.8308 -20.2248 -20.2248 -19.4331 -19.4331 -19.0798 -19.0798 -17.2642 -17.2642 -10.7765 -10.7764 -7.6920 -7.6917 -6.7694 -6.7689 -5.4682 -5.4676 -4.7737 -4.7725 -4.3597 -4.3576 -3.7961 -3.7943 -3.4786 -3.4759 -2.9283 -2.9261 -2.7031 -2.7016 -1.2335 -1.2329 -1.0915 -1.0910 -0.5554 -0.5551 0.2649 0.2699 0.4185 0.4204 0.9307 0.9325 4.6986 4.6987 8.0199 8.0213 8.4376 8.4392 10.7572 10.7575 k = 0.1364 0.0717 0.0514 ( 12218 PWs) bands (ev): -41.7235 -41.7235 -21.8340 -21.8340 -20.2258 -20.2258 -19.4341 -19.4341 -19.0805 -19.0805 -17.2645 -17.2645 -10.7764 -10.7763 -7.6943 -7.6940 -6.7680 -6.7676 -5.4696 -5.4690 -4.7752 -4.7740 -4.3272 -4.3253 -3.7889 -3.7871 -3.4719 -3.4691 -2.9375 -2.9353 -2.6943 -2.6929 -1.2201 -1.2195 -1.0848 -1.0844 -0.5511 -0.5508 0.2657 0.2706 0.4191 0.4209 0.9268 0.9286 4.6899 4.6899 7.9670 7.9682 8.4299 8.4314 10.7444 10.7447 k = 0.1273 0.0669 0.0480 ( 12224 PWs) bands (ev): -41.7236 -41.7236 -21.8371 -21.8371 -20.2267 -20.2267 -19.4350 -19.4350 -19.0812 -19.0812 -17.2647 -17.2647 -10.7763 -10.7762 -7.6965 -7.6962 -6.7668 -6.7664 -5.4710 -5.4704 -4.7767 -4.7757 -4.2959 -4.2940 -3.7827 -3.7808 -3.4643 -3.4613 -2.9475 -2.9451 -2.6855 -2.6842 -1.2078 -1.2071 -1.0779 -1.0774 -0.5471 -0.5468 0.2661 0.2708 0.4199 0.4217 0.9230 0.9248 4.6814 4.6815 7.9155 7.9166 8.4236 8.4249 10.7342 10.7345 k = 0.1182 0.0621 0.0446 ( 12215 PWs) bands (ev): -41.7236 -41.7236 -21.8400 -21.8400 -20.2275 -20.2275 -19.4358 -19.4358 -19.0818 -19.0818 -17.2650 -17.2649 -10.7762 -10.7761 -7.6985 -7.6983 -6.7655 -6.7652 -5.4723 -5.4717 -4.7783 -4.7773 -4.2657 -4.2639 -3.7773 -3.7754 -3.4556 -3.4525 -2.9581 -2.9556 -2.6768 -2.6755 -1.1965 -1.1959 -1.0707 -1.0702 -0.5433 -0.5430 0.2660 0.2705 0.4211 0.4228 0.9193 0.9210 4.6733 4.6734 7.8663 7.8672 8.4182 8.4194 10.7267 10.7270 k = 0.1091 0.0574 0.0412 ( 12222 PWs) bands (ev): -41.7237 -41.7237 -21.8427 -21.8427 -20.2283 -20.2283 -19.4366 -19.4366 -19.0825 -19.0824 -17.2652 -17.2652 -10.7761 -10.7760 -7.7005 -7.7003 -6.7644 -6.7641 -5.4736 -5.4731 -4.7799 -4.7790 -4.2370 -4.2352 -3.7729 -3.7709 -3.4460 -3.4428 -2.9692 -2.9667 -2.6682 -2.6671 -1.1863 -1.1857 -1.0633 -1.0629 -0.5398 -0.5395 0.2655 0.2698 0.4226 0.4241 0.9157 0.9174 4.6657 4.6658 7.8195 7.8203 8.4135 8.4146 10.7219 10.7222 k = 0.1000 0.0526 0.0377 ( 12218 PWs) bands (ev): -41.7237 -41.7237 -21.8453 -21.8453 -20.2290 -20.2290 -19.4374 -19.4374 -19.0830 -19.0830 -17.2654 -17.2654 -10.7760 -10.7759 -7.7023 -7.7021 -6.7633 -6.7630 -5.4748 -5.4743 -4.7814 -4.7806 -4.2097 -4.2081 -3.7693 -3.7674 -3.4355 -3.4323 -2.9808 -2.9782 -2.6599 -2.6589 -1.1772 -1.1765 -1.0559 -1.0555 -0.5366 -0.5363 0.2647 0.2686 0.4243 0.4257 0.9123 0.9139 4.6585 4.6586 7.7756 7.7763 8.4094 8.4103 10.7198 10.7201 k = 0.0909 0.0478 0.0343 ( 12220 PWs) bands (ev): -41.7238 -41.7238 -21.8476 -21.8476 -20.2297 -20.2297 -19.4381 -19.4381 -19.0836 -19.0836 -17.2656 -17.2655 -10.7759 -10.7758 -7.7041 -7.7038 -6.7624 -6.7621 -5.4760 -5.4755 -4.7829 -4.7822 -4.1841 -4.1826 -3.7666 -3.7647 -3.4244 -3.4211 -2.9927 -2.9901 -2.6520 -2.6510 -1.1690 -1.1684 -1.0485 -1.0482 -0.5336 -0.5334 0.2635 0.2671 0.4262 0.4274 0.9091 0.9106 4.6519 4.6519 7.7349 7.7355 8.4058 8.4066 10.7206 10.7208 k = 0.0818 0.0430 0.0309 ( 12211 PWs) bands (ev): -41.7238 -41.7238 -21.8498 -21.8498 -20.2303 -20.2303 -19.4387 -19.4387 -19.0841 -19.0840 -17.2657 -17.2657 -10.7759 -10.7758 -7.7056 -7.7054 -6.7615 -6.7612 -5.4770 -5.4766 -4.7844 -4.7837 -4.1604 -4.1589 -3.7647 -3.7628 -3.4127 -3.4094 -3.0049 -3.0022 -2.6445 -2.6436 -1.1619 -1.1613 -1.0414 -1.0411 -0.5309 -0.5307 0.2621 0.2654 0.4281 0.4293 0.9061 0.9076 4.6458 4.6458 7.6974 7.6979 8.4025 8.4032 10.7241 10.7244 k = 0.0727 0.0382 0.0274 ( 12214 PWs) bands (ev): -41.7239 -41.7239 -21.8517 -21.8517 -20.2308 -20.2308 -19.4392 -19.4392 -19.0845 -19.0845 -17.2659 -17.2659 -10.7758 -10.7757 -7.7071 -7.7069 -6.7607 -6.7604 -5.4780 -5.4777 -4.7857 -4.7851 -4.1385 -4.1371 -3.7635 -3.7617 -3.4006 -3.3974 -3.0170 -3.0144 -2.6375 -2.6368 -1.1556 -1.1551 -1.0346 -1.0343 -0.5285 -0.5283 0.2606 0.2635 0.4302 0.4312 0.9033 0.9047 4.6402 4.6403 7.6635 7.6639 8.3996 8.4002 10.7305 10.7307 k = 0.0636 0.0335 0.0240 ( 12215 PWs) bands (ev): -41.7239 -41.7239 -21.8535 -21.8535 -20.2313 -20.2313 -19.4397 -19.4397 -19.0849 -19.0849 -17.2660 -17.2660 -10.7758 -10.7757 -7.7084 -7.7082 -6.7599 -6.7597 -5.4789 -5.4786 -4.7869 -4.7863 -4.1187 -4.1174 -3.7628 -3.7612 -3.3886 -3.3855 -3.0290 -3.0265 -2.6312 -2.6305 -1.1502 -1.1497 -1.0283 -1.0280 -0.5264 -0.5262 0.2590 0.2615 0.4322 0.4330 0.9008 0.9021 4.6353 4.6354 7.6332 7.6336 8.3971 8.3976 10.7396 10.7398 k = 0.0545 0.0287 0.0206 ( 12215 PWs) bands (ev): -41.7239 -41.7239 -21.8550 -21.8550 -20.2317 -20.2317 -19.4402 -19.4402 -19.0853 -19.0853 -17.2661 -17.2661 -10.7757 -10.7757 -7.7095 -7.7094 -6.7593 -6.7591 -5.4797 -5.4794 -4.7879 -4.7875 -4.1011 -4.0999 -3.7626 -3.7611 -3.3767 -3.3738 -3.0406 -3.0382 -2.6255 -2.6249 -1.1456 -1.1451 -1.0226 -1.0223 -0.5246 -0.5244 0.2574 0.2596 0.4341 0.4348 0.8987 0.8998 4.6310 4.6310 7.6068 7.6071 8.3948 8.3953 10.7514 10.7516 k = 0.0455 0.0239 0.0171 ( 12209 PWs) bands (ev): -41.7239 -41.7239 -21.8563 -21.8563 -20.2321 -20.2321 -19.4405 -19.4405 -19.0856 -19.0856 -17.2662 -17.2662 -10.7757 -10.7756 -7.7104 -7.7103 -6.7588 -6.7586 -5.4804 -5.4802 -4.7889 -4.7885 -4.0858 -4.0848 -3.7628 -3.7614 -3.3655 -3.3628 -3.0514 -3.0492 -2.6206 -2.6201 -1.1417 -1.1413 -1.0176 -1.0174 -0.5230 -0.5229 0.2559 0.2577 0.4358 0.4364 0.8968 0.8977 4.6273 4.6274 7.5842 7.5844 8.3929 8.3933 10.7658 10.7660 k = 0.0364 0.0191 0.0137 ( 12209 PWs) bands (ev): -41.7240 -41.7240 -21.8573 -21.8573 -20.2323 -20.2323 -19.4408 -19.4408 -19.0858 -19.0858 -17.2663 -17.2663 -10.7756 -10.7756 -7.7112 -7.7112 -6.7583 -6.7582 -5.4809 -5.4808 -4.7896 -4.7893 -4.0730 -4.0722 -3.7631 -3.7620 -3.3552 -3.3529 -3.0611 -3.0591 -2.6165 -2.6161 -1.1386 -1.1383 -1.0133 -1.0132 -0.5218 -0.5216 0.2546 0.2561 0.4374 0.4378 0.8953 0.8960 4.6243 4.6243 7.5656 7.5658 8.3914 8.3917 10.7824 10.7826 k = 0.0273 0.0143 0.0103 ( 12211 PWs) bands (ev): -41.7240 -41.7240 -21.8582 -21.8582 -20.2326 -20.2326 -19.4411 -19.4411 -19.0860 -19.0860 -17.2664 -17.2664 -10.7756 -10.7756 -7.7119 -7.7118 -6.7579 -6.7579 -5.4814 -5.4813 -4.7902 -4.7900 -4.0628 -4.0622 -3.7635 -3.7626 -3.3464 -3.3445 -3.0693 -3.0677 -2.6132 -2.6129 -1.1362 -1.1359 -1.0100 -1.0098 -0.5208 -0.5207 0.2536 0.2547 0.4386 0.4390 0.8941 0.8947 4.6220 4.6220 7.5510 7.5512 8.3902 8.3904 10.8007 10.8009 k = 0.0182 0.0096 0.0069 ( 12210 PWs) bands (ev): -41.7240 -41.7240 -21.8588 -21.8588 -20.2327 -20.2327 -19.4412 -19.4412 -19.0862 -19.0862 -17.2664 -17.2664 -10.7756 -10.7756 -7.7123 -7.7123 -6.7577 -6.7576 -5.4817 -5.4816 -4.7906 -4.7905 -4.0555 -4.0550 -3.7639 -3.7633 -3.3395 -3.3382 -3.0754 -3.0743 -2.6108 -2.6106 -1.1344 -1.1343 -1.0075 -1.0074 -0.5200 -0.5200 0.2529 0.2536 0.4395 0.4398 0.8933 0.8937 4.6203 4.6203 7.5406 7.5407 8.3893 8.3894 10.8196 10.8197 k = 0.0091 0.0048 0.0034 ( 12211 PWs) bands (ev): -41.7240 -41.7240 -21.8591 -21.8591 -20.2328 -20.2328 -19.4413 -19.4413 -19.0862 -19.0862 -17.2665 -17.2665 -10.7756 -10.7756 -7.7126 -7.7125 -6.7575 -6.7575 -5.4819 -5.4818 -4.7909 -4.7908 -4.0509 -4.0507 -3.7641 -3.7638 -3.3350 -3.3343 -3.0792 -3.0786 -2.6093 -2.6092 -1.1334 -1.1333 -1.0060 -1.0060 -0.5196 -0.5196 0.2525 0.2528 0.4401 0.4403 0.8928 0.8930 4.6193 4.6193 7.5344 7.5344 8.3888 8.3889 10.8360 10.8361 k = 0.0000 0.0000 0.0000 ( 12209 PWs) bands (ev): -41.7240 -41.7240 -21.8592 -21.8592 -20.2329 -20.2329 -19.4414 -19.4414 -19.0863 -19.0863 -17.2665 -17.2665 -10.7756 -10.7756 -7.7126 -7.7126 -6.7575 -6.7575 -5.4819 -5.4819 -4.7909 -4.7909 -4.0493 -4.0493 -3.7640 -3.7640 -3.3332 -3.3332 -3.0803 -3.0803 -2.6088 -2.6088 -1.1330 -1.1330 -1.0055 -1.0055 -0.5195 -0.5195 0.2525 0.2525 0.4404 0.4404 0.8927 0.8927 4.6189 4.6189 7.5323 7.5323 8.3887 8.3887 10.8433 10.8433 Writing output data file LiH3C2O5.save init_run : 0.71s CPU 0.47s WALL ( 1 calls) electrons : 404.42s CPU 309.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.07s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 404.42s CPU 309.84s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.38s CPU 0.55s WALL ( 313 calls) cegterg : 345.72s CPU 272.85s WALL ( 474 calls) Called by sum_band: Called by *egterg: h_psi : 251.37s CPU 171.75s WALL ( 7573 calls) s_psi : 9.64s CPU 6.93s WALL ( 7573 calls) g_psi : 0.77s CPU 0.69s WALL ( 6786 calls) cdiaghg : 75.37s CPU 70.34s WALL ( 7099 calls) cegterg:over : 20.14s CPU 17.64s WALL ( 6786 calls) cegterg:upda : 21.43s CPU 19.43s WALL ( 6786 calls) cegterg:last : 7.43s CPU 7.37s WALL ( 1285 calls) cdiaghg:chol : 4.25s CPU 4.11s WALL ( 7099 calls) cdiaghg:inve : 2.79s CPU 2.71s WALL ( 7099 calls) cdiaghg:para : 4.74s CPU 4.47s WALL ( 14198 calls) Called by h_psi: h_psi:vloc : 226.93s CPU 153.53s WALL ( 7573 calls) h_psi:vnl : 23.45s CPU 17.45s WALL ( 7573 calls) add_vuspsi : 10.48s CPU 7.71s WALL ( 7573 calls) General routines calbec : 12.91s CPU 9.71s WALL ( 7573 calls) fft : 0.04s CPU 0.02s WALL ( 15 calls) fftw : 213.22s CPU 142.87s WALL ( 812484 calls) davcio : 0.55s CPU 3.30s WALL ( 626 calls) Parallel routines fft_scatter : 85.47s CPU 64.22s WALL ( 812499 calls) PWSCF : 7m16.15s CPU 5m58.60s WALL This run was terminated on: 4:16:15 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=