Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:57:42 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RbHF2.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 48 13 2257 1121 171 Max 76 49 14 2261 1143 175 Sum 2723 1729 491 81339 40787 6229 bravais-lattice index = 14 lattice parameter (alat) = 10.4504 a.u. unit-cell volume = 852.7214 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.450356 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.430873 celldm(5)= -0.430873 celldm(6)= -0.138255 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.138255 0.990397 0.000000 ) a(3) = ( -0.430873 -0.495198 0.754405 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.139596 0.662774 ) b(2) = ( 0.000000 1.009696 0.662774 ) b(3) = ( 0.000000 0.000000 1.325547 ) PseudoPot. # 1 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. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 H 1.00 1.00790 H( 1.00) Rb 9.00 85.46780 Rb( 1.00) F 7.00 18.99840 F( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5691275 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.4951983 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.5691275 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4951983 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 306 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0000000 0.0174414), wk = 0.0032680 k( 3) = ( 0.0000000 0.0000000 0.0348828), wk = 0.0032680 k( 4) = ( 0.0000000 0.0000000 0.0523242), wk = 0.0032680 k( 5) = ( 0.0000000 0.0000000 0.0697656), wk = 0.0032680 k( 6) = ( 0.0000000 0.0000000 0.0872071), wk = 0.0032680 k( 7) = ( 0.0000000 0.0000000 0.1046485), wk = 0.0032680 k( 8) = ( 0.0000000 0.0000000 0.1220899), wk = 0.0032680 k( 9) = ( 0.0000000 0.0000000 0.1395313), wk = 0.0032680 k( 10) = ( 0.0000000 0.0000000 0.1569727), wk = 0.0032680 k( 11) = ( 0.0000000 0.0000000 0.1744141), wk = 0.0032680 k( 12) = ( 0.0000000 0.0000000 0.1918555), wk = 0.0032680 k( 13) = ( 0.0000000 0.0000000 0.2092969), wk = 0.0032680 k( 14) = ( 0.0000000 0.0000000 0.2267383), wk = 0.0032680 k( 15) = ( 0.0000000 0.0000000 0.2441798), wk = 0.0032680 k( 16) = ( 0.0000000 0.0000000 0.2616212), wk = 0.0032680 k( 17) = ( 0.0000000 0.0000000 0.2790626), wk = 0.0032680 k( 18) = ( 0.0000000 0.0000000 0.2965040), wk = 0.0032680 k( 19) = ( 0.0000000 0.0000000 0.3139454), wk = 0.0032680 k( 20) = ( 0.0000000 0.0000000 0.3313868), wk = 0.0032680 k( 21) = ( 0.0000000 0.0000000 0.3488282), wk = 0.0032680 k( 22) = ( 0.0000000 0.0000000 0.3662696), wk = 0.0032680 k( 23) = ( 0.0000000 0.0000000 0.3837110), wk = 0.0032680 k( 24) = ( 0.0000000 0.0000000 0.4011525), wk = 0.0032680 k( 25) = ( 0.0000000 0.0000000 0.4185939), wk = 0.0032680 k( 26) = ( 0.0000000 0.0000000 0.4360353), wk = 0.0032680 k( 27) = ( 0.0000000 0.0000000 0.4534767), wk = 0.0032680 k( 28) = ( 0.0000000 0.0000000 0.4709181), wk = 0.0032680 k( 29) = ( 0.0000000 0.0000000 0.4883595), wk = 0.0032680 k( 30) = ( 0.0000000 0.0000000 0.5058009), wk = 0.0032680 k( 31) = ( 0.0000000 0.0000000 0.5232423), wk = 0.0032680 k( 32) = ( 0.0000000 0.0000000 0.5406838), wk = 0.0032680 k( 33) = ( 0.0000000 0.0000000 0.5581252), wk = 0.0032680 k( 34) = ( 0.0000000 0.0000000 0.5755666), wk = 0.0032680 k( 35) = ( 0.0000000 0.0000000 0.5930080), wk = 0.0032680 k( 36) = ( 0.0000000 0.0000000 0.6104494), wk = 0.0032680 k( 37) = ( 0.0000000 0.0000000 0.6278908), wk = 0.0032680 k( 38) = ( 0.0000000 0.0000000 0.6453322), wk = 0.0032680 k( 39) = ( 0.0000000 0.0000000 0.6627736), wk = 0.0032680 k( 40) = ( 0.0000000 0.0000000 0.6627736), wk = 0.0032680 k( 41) = ( -0.0132087 0.0114929 0.6627736), wk = 0.0032680 k( 42) = ( -0.0264174 0.0229858 0.6627736), wk = 0.0032680 k( 43) = ( -0.0396262 0.0344788 0.6627736), wk = 0.0032680 k( 44) = ( -0.0528349 0.0459717 0.6627736), wk = 0.0032680 k( 45) = ( -0.0660436 0.0574646 0.6627736), wk = 0.0032680 k( 46) = ( -0.0792523 0.0689575 0.6627736), wk = 0.0032680 k( 47) = ( -0.0924611 0.0804504 0.6627736), wk = 0.0032680 k( 48) = ( -0.1056698 0.0919434 0.6627736), wk = 0.0032680 k( 49) = ( -0.1188785 0.1034363 0.6627736), wk = 0.0032680 k( 50) = ( -0.1320872 0.1149292 0.6627736), wk = 0.0032680 k( 51) = ( -0.1452959 0.1264221 0.6627736), wk = 0.0032680 k( 52) = ( -0.1585047 0.1379150 0.6627736), wk = 0.0032680 k( 53) = ( -0.1717134 0.1494080 0.6627736), wk = 0.0032680 k( 54) = ( -0.1849221 0.1609009 0.6627736), wk = 0.0032680 k( 55) = ( -0.1981308 0.1723938 0.6627736), wk = 0.0032680 k( 56) = ( -0.2113395 0.1838867 0.6627736), wk = 0.0032680 k( 57) = ( -0.2245483 0.1953796 0.6627736), wk = 0.0032680 k( 58) = ( -0.2377570 0.2068726 0.6627736), wk = 0.0032680 k( 59) = ( -0.2509657 0.2183655 0.6627736), wk = 0.0032680 k( 60) = ( -0.2641744 0.2298584 0.6627736), wk = 0.0032680 k( 61) = ( -0.2773832 0.2413513 0.6627736), wk = 0.0032680 k( 62) = ( -0.2905919 0.2528442 0.6627736), wk = 0.0032680 k( 63) = ( -0.3038006 0.2643372 0.6627736), wk = 0.0032680 k( 64) = ( -0.3170093 0.2758301 0.6627736), wk = 0.0032680 k( 65) = ( -0.3302180 0.2873230 0.6627736), wk = 0.0032680 k( 66) = ( -0.3302180 0.2873230 0.6627736), wk = 0.0032680 k( 67) = ( -0.3387071 0.2947094 0.6515209), wk = 0.0032680 k( 68) = ( -0.3471962 0.3020957 0.6402682), wk = 0.0032680 k( 69) = ( -0.3556853 0.3094821 0.6290155), wk = 0.0032680 k( 70) = ( -0.3641744 0.3168685 0.6177628), wk = 0.0032680 k( 71) = ( -0.3726635 0.3242549 0.6065101), wk = 0.0032680 k( 72) = ( -0.3811526 0.3316412 0.5952574), wk = 0.0032680 k( 73) = ( -0.3896417 0.3390276 0.5840047), wk = 0.0032680 k( 74) = ( -0.3981308 0.3464140 0.5727520), wk = 0.0032680 k( 75) = ( -0.4066199 0.3538004 0.5614993), wk = 0.0032680 k( 76) = ( -0.4151090 0.3611867 0.5502466), wk = 0.0032680 k( 77) = ( -0.4151090 0.3611867 0.5502466), wk = 0.0032680 k( 78) = ( -0.4058844 0.3531604 0.5380189), wk = 0.0032680 k( 79) = ( -0.3966597 0.3451340 0.5257912), wk = 0.0032680 k( 80) = ( -0.3874351 0.3371076 0.5135635), wk = 0.0032680 k( 81) = ( -0.3782104 0.3290812 0.5013358), wk = 0.0032680 k( 82) = ( -0.3689858 0.3210549 0.4891081), wk = 0.0032680 k( 83) = ( -0.3597611 0.3130285 0.4768804), wk = 0.0032680 k( 84) = ( -0.3505365 0.3050021 0.4646527), wk = 0.0032680 k( 85) = ( -0.3413119 0.2969758 0.4524250), wk = 0.0032680 k( 86) = ( -0.3320872 0.2889494 0.4401973), wk = 0.0032680 k( 87) = ( -0.3228626 0.2809230 0.4279696), wk = 0.0032680 k( 88) = ( -0.3136379 0.2728966 0.4157419), wk = 0.0032680 k( 89) = ( -0.3044133 0.2648703 0.4035142), wk = 0.0032680 k( 90) = ( -0.2951886 0.2568439 0.3912865), wk = 0.0032680 k( 91) = ( -0.2859640 0.2488175 0.3790588), wk = 0.0032680 k( 92) = ( -0.2767393 0.2407911 0.3668311), wk = 0.0032680 k( 93) = ( -0.2675147 0.2327648 0.3546034), wk = 0.0032680 k( 94) = ( -0.2582900 0.2247384 0.3423757), wk = 0.0032680 k( 95) = ( -0.2490654 0.2167120 0.3301480), wk = 0.0032680 k( 96) = ( -0.2398408 0.2086857 0.3179203), wk = 0.0032680 k( 97) = ( -0.2306161 0.2006593 0.3056926), wk = 0.0032680 k( 98) = ( -0.2213915 0.1926329 0.2934649), wk = 0.0032680 k( 99) = ( -0.2121668 0.1846065 0.2812372), wk = 0.0032680 k( 100) = ( -0.2029422 0.1765802 0.2690095), wk = 0.0032680 k( 101) = ( -0.1937175 0.1685538 0.2567818), wk = 0.0032680 k( 102) = ( -0.1844929 0.1605274 0.2445541), wk = 0.0032680 k( 103) = ( -0.1752682 0.1525011 0.2323263), wk = 0.0032680 k( 104) = ( -0.1660436 0.1444747 0.2200987), wk = 0.0032680 k( 105) = ( -0.1568190 0.1364483 0.2078709), wk = 0.0032680 k( 106) = ( -0.1475943 0.1284219 0.1956432), wk = 0.0032680 k( 107) = ( -0.1383697 0.1203956 0.1834155), wk = 0.0032680 k( 108) = ( -0.1291450 0.1123692 0.1711878), wk = 0.0032680 k( 109) = ( -0.1199204 0.1043428 0.1589601), wk = 0.0032680 k( 110) = ( -0.1106957 0.0963165 0.1467324), wk = 0.0032680 k( 111) = ( -0.1014711 0.0882901 0.1345047), wk = 0.0032680 k( 112) = ( -0.0922464 0.0802637 0.1222770), wk = 0.0032680 k( 113) = ( -0.0830218 0.0722373 0.1100493), wk = 0.0032680 k( 114) = ( -0.0737972 0.0642110 0.0978216), wk = 0.0032680 k( 115) = ( -0.0645725 0.0561846 0.0855939), wk = 0.0032680 k( 116) = ( -0.0553479 0.0481582 0.0733662), wk = 0.0032680 k( 117) = ( -0.0461232 0.0401319 0.0611385), wk = 0.0032680 k( 118) = ( -0.0368986 0.0321055 0.0489108), wk = 0.0032680 k( 119) = ( -0.0276739 0.0240791 0.0366831), wk = 0.0032680 k( 120) = ( -0.0184493 0.0160527 0.0244554), wk = 0.0032680 k( 121) = ( -0.0092246 0.0080264 0.0122277), wk = 0.0032680 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 124) = ( 0.0113636 0.0130601 -0.0000000), wk = 0.0032680 k( 125) = ( 0.0227273 0.0261203 -0.0000000), wk = 0.0032680 k( 126) = ( 0.0340909 0.0391804 -0.0000000), wk = 0.0032680 k( 127) = ( 0.0454546 0.0522406 -0.0000000), wk = 0.0032680 k( 128) = ( 0.0568182 0.0653007 -0.0000000), wk = 0.0032680 k( 129) = ( 0.0681818 0.0783608 -0.0000000), wk = 0.0032680 k( 130) = ( 0.0795455 0.0914210 -0.0000000), wk = 0.0032680 k( 131) = ( 0.0909091 0.1044811 -0.0000000), wk = 0.0032680 k( 132) = ( 0.1022727 0.1175412 -0.0000000), wk = 0.0032680 k( 133) = ( 0.1136364 0.1306014 -0.0000000), wk = 0.0032680 k( 134) = ( 0.1250000 0.1436615 -0.0000000), wk = 0.0032680 k( 135) = ( 0.1363636 0.1567216 -0.0000000), wk = 0.0032680 k( 136) = ( 0.1477273 0.1697818 -0.0000000), wk = 0.0032680 k( 137) = ( 0.1590909 0.1828419 -0.0000000), wk = 0.0032680 k( 138) = ( 0.1704546 0.1959021 -0.0000000), wk = 0.0032680 k( 139) = ( 0.1818182 0.2089622 -0.0000000), wk = 0.0032680 k( 140) = ( 0.1931818 0.2220223 -0.0000000), wk = 0.0032680 k( 141) = ( 0.2045454 0.2350825 -0.0000000), wk = 0.0032680 k( 142) = ( 0.2159091 0.2481426 -0.0000000), wk = 0.0032680 k( 143) = ( 0.2272727 0.2612027 -0.0000000), wk = 0.0032680 k( 144) = ( 0.2386364 0.2742629 -0.0000000), wk = 0.0032680 k( 145) = ( 0.2500000 0.2873230 -0.0000000), wk = 0.0032680 k( 146) = ( 0.2613636 0.3003831 -0.0000000), wk = 0.0032680 k( 147) = ( 0.2727273 0.3134433 -0.0000000), wk = 0.0032680 k( 148) = ( 0.2840909 0.3265034 -0.0000000), wk = 0.0032680 k( 149) = ( 0.2954545 0.3395636 -0.0000000), wk = 0.0032680 k( 150) = ( 0.3068182 0.3526237 -0.0000000), wk = 0.0032680 k( 151) = ( 0.3181818 0.3656838 -0.0000000), wk = 0.0032680 k( 152) = ( 0.3295455 0.3787440 -0.0000000), wk = 0.0032680 k( 153) = ( 0.3409091 0.3918041 -0.0000000), wk = 0.0032680 k( 154) = ( 0.3522727 0.4048642 -0.0000000), wk = 0.0032680 k( 155) = ( 0.3636364 0.4179244 -0.0000000), wk = 0.0032680 k( 156) = ( 0.3750000 0.4309845 -0.0000000), wk = 0.0032680 k( 157) = ( 0.3863636 0.4440446 -0.0000000), wk = 0.0032680 k( 158) = ( 0.3977273 0.4571048 -0.0000000), wk = 0.0032680 k( 159) = ( 0.4090909 0.4701649 -0.0000000), wk = 0.0032680 k( 160) = ( 0.4204545 0.4832251 -0.0000000), wk = 0.0032680 k( 161) = ( 0.4318182 0.4962852 -0.0000000), wk = 0.0032680 k( 162) = ( 0.4431818 0.5093453 -0.0000000), wk = 0.0032680 k( 163) = ( 0.4545455 0.5224055 -0.0000000), wk = 0.0032680 k( 164) = ( 0.4659091 0.5354656 -0.0000000), wk = 0.0032680 k( 165) = ( 0.4772727 0.5485257 -0.0000000), wk = 0.0032680 k( 166) = ( 0.4886364 0.5615859 -0.0000000), wk = 0.0032680 k( 167) = ( 0.5000000 0.5746460 -0.0000000), wk = 0.0032680 k( 168) = ( 0.5000000 0.5746460 -0.0000000), wk = 0.0032680 k( 169) = ( 0.4915109 0.5820324 0.0112527), wk = 0.0032680 k( 170) = ( 0.4830218 0.5894188 0.0225054), wk = 0.0032680 k( 171) = ( 0.4745327 0.5968051 0.0337581), wk = 0.0032680 k( 172) = ( 0.4660436 0.6041915 0.0450108), wk = 0.0032680 k( 173) = ( 0.4575545 0.6115779 0.0562635), wk = 0.0032680 k( 174) = ( 0.4490654 0.6189642 0.0675162), wk = 0.0032680 k( 175) = ( 0.4405763 0.6263506 0.0787689), wk = 0.0032680 k( 176) = ( 0.4320872 0.6337370 0.0900216), wk = 0.0032680 k( 177) = ( 0.4235981 0.6411234 0.1012743), wk = 0.0032680 k( 178) = ( 0.4151090 0.6485097 0.1125270), wk = 0.0032680 k( 179) = ( 0.4151090 0.6485097 0.1125270), wk = 0.0032680 k( 180) = ( 0.4002837 0.6433790 0.1203434), wk = 0.0032680 k( 181) = ( 0.3854584 0.6382482 0.1281599), wk = 0.0032680 k( 182) = ( 0.3706331 0.6331174 0.1359763), wk = 0.0032680 k( 183) = ( 0.3558077 0.6279867 0.1437927), wk = 0.0032680 k( 184) = ( 0.3409824 0.6228559 0.1516091), wk = 0.0032680 k( 185) = ( 0.3261571 0.6177251 0.1594255), wk = 0.0032680 k( 186) = ( 0.3113318 0.6125944 0.1672420), wk = 0.0032680 k( 187) = ( 0.2965064 0.6074636 0.1750584), wk = 0.0032680 k( 188) = ( 0.2816811 0.6023328 0.1828748), wk = 0.0032680 k( 189) = ( 0.2668558 0.5972021 0.1906912), wk = 0.0032680 k( 190) = ( 0.2520305 0.5920713 0.1985076), wk = 0.0032680 k( 191) = ( 0.2372052 0.5869405 0.2063241), wk = 0.0032680 k( 192) = ( 0.2223798 0.5818097 0.2141405), wk = 0.0032680 k( 193) = ( 0.2075545 0.5766790 0.2219569), wk = 0.0032680 k( 194) = ( 0.1927292 0.5715482 0.2297733), wk = 0.0032680 k( 195) = ( 0.1779039 0.5664174 0.2375898), wk = 0.0032680 k( 196) = ( 0.1630785 0.5612867 0.2454062), wk = 0.0032680 k( 197) = ( 0.1482532 0.5561559 0.2532226), wk = 0.0032680 k( 198) = ( 0.1334279 0.5510251 0.2610390), wk = 0.0032680 k( 199) = ( 0.1186026 0.5458944 0.2688554), wk = 0.0032680 k( 200) = ( 0.1037773 0.5407636 0.2766719), wk = 0.0032680 k( 201) = ( 0.0889519 0.5356328 0.2844883), wk = 0.0032680 k( 202) = ( 0.0741266 0.5305021 0.2923047), wk = 0.0032680 k( 203) = ( 0.0593013 0.5253713 0.3001211), wk = 0.0032680 k( 204) = ( 0.0444760 0.5202405 0.3079375), wk = 0.0032680 k( 205) = ( 0.0296506 0.5151098 0.3157540), wk = 0.0032680 k( 206) = ( 0.0148253 0.5099790 0.3235704), wk = 0.0032680 k( 207) = ( 0.0000000 0.5048482 0.3313868), wk = 0.0032680 k( 208) = ( 0.0000000 0.5048482 0.3313868), wk = 0.0032680 k( 209) = ( 0.0092593 0.4967917 0.3436604), wk = 0.0032680 k( 210) = ( 0.0185185 0.4887352 0.3559340), wk = 0.0032680 k( 211) = ( 0.0277778 0.4806788 0.3682076), wk = 0.0032680 k( 212) = ( 0.0370370 0.4726223 0.3804812), wk = 0.0032680 k( 213) = ( 0.0462963 0.4645658 0.3927548), wk = 0.0032680 k( 214) = ( 0.0555556 0.4565093 0.4050283), wk = 0.0032680 k( 215) = ( 0.0648148 0.4484528 0.4173019), wk = 0.0032680 k( 216) = ( 0.0740741 0.4403963 0.4295755), wk = 0.0032680 k( 217) = ( 0.0833333 0.4323398 0.4418491), wk = 0.0032680 k( 218) = ( 0.0925926 0.4242833 0.4541227), wk = 0.0032680 k( 219) = ( 0.1018518 0.4162268 0.4663963), wk = 0.0032680 k( 220) = ( 0.1111111 0.4081703 0.4786698), wk = 0.0032680 k( 221) = ( 0.1203704 0.4001139 0.4909434), wk = 0.0032680 k( 222) = ( 0.1296296 0.3920574 0.5032170), wk = 0.0032680 k( 223) = ( 0.1388889 0.3840009 0.5154906), wk = 0.0032680 k( 224) = ( 0.1481482 0.3759444 0.5277642), wk = 0.0032680 k( 225) = ( 0.1574074 0.3678879 0.5400378), wk = 0.0032680 k( 226) = ( 0.1666667 0.3598314 0.5523114), wk = 0.0032680 k( 227) = ( 0.1759259 0.3517749 0.5645850), wk = 0.0032680 k( 228) = ( 0.1851852 0.3437184 0.5768585), wk = 0.0032680 k( 229) = ( 0.1944444 0.3356619 0.5891321), wk = 0.0032680 k( 230) = ( 0.2037037 0.3276055 0.6014057), wk = 0.0032680 k( 231) = ( 0.2129630 0.3195490 0.6136793), wk = 0.0032680 k( 232) = ( 0.2222222 0.3114925 0.6259529), wk = 0.0032680 k( 233) = ( 0.2314815 0.3034360 0.6382265), wk = 0.0032680 k( 234) = ( 0.2407407 0.2953795 0.6505000), wk = 0.0032680 k( 235) = ( 0.2500000 0.2873230 0.6627736), wk = 0.0032680 k( 236) = ( 0.2500000 0.2873230 0.6627736), wk = 0.0032680 k( 237) = ( 0.2575758 0.2960298 0.6495094), wk = 0.0032680 k( 238) = ( 0.2651515 0.3047365 0.6362452), wk = 0.0032680 k( 239) = ( 0.2727273 0.3134433 0.6229809), wk = 0.0032680 k( 240) = ( 0.2803030 0.3221500 0.6097167), wk = 0.0032680 k( 241) = ( 0.2878788 0.3308568 0.5964525), wk = 0.0032680 k( 242) = ( 0.2954545 0.3395636 0.5831883), wk = 0.0032680 k( 243) = ( 0.3030303 0.3482703 0.5699240), wk = 0.0032680 k( 244) = ( 0.3106061 0.3569771 0.5566598), wk = 0.0032680 k( 245) = ( 0.3181818 0.3656838 0.5433956), wk = 0.0032680 k( 246) = ( 0.3257576 0.3743906 0.5301313), wk = 0.0032680 k( 247) = ( 0.3333333 0.3830973 0.5168671), wk = 0.0032680 k( 248) = ( 0.3409091 0.3918041 0.5036029), wk = 0.0032680 k( 249) = ( 0.3484849 0.4005109 0.4903386), wk = 0.0032680 k( 250) = ( 0.3560606 0.4092176 0.4770744), wk = 0.0032680 k( 251) = ( 0.3636364 0.4179244 0.4638102), wk = 0.0032680 k( 252) = ( 0.3712121 0.4266311 0.4505459), wk = 0.0032680 k( 253) = ( 0.3787879 0.4353379 0.4372817), wk = 0.0032680 k( 254) = ( 0.3863636 0.4440446 0.4240175), wk = 0.0032680 k( 255) = ( 0.3939394 0.4527514 0.4107532), wk = 0.0032680 k( 256) = ( 0.4015151 0.4614582 0.3974890), wk = 0.0032680 k( 257) = ( 0.4090909 0.4701649 0.3842248), wk = 0.0032680 k( 258) = ( 0.4166667 0.4788717 0.3709606), wk = 0.0032680 k( 259) = ( 0.4242424 0.4875784 0.3576963), wk = 0.0032680 k( 260) = ( 0.4318182 0.4962852 0.3444321), wk = 0.0032680 k( 261) = ( 0.4393939 0.5049919 0.3311679), wk = 0.0032680 k( 262) = ( 0.4469697 0.5136987 0.3179036), wk = 0.0032680 k( 263) = ( 0.4545455 0.5224055 0.3046394), wk = 0.0032680 k( 264) = ( 0.4621212 0.5311122 0.2913752), wk = 0.0032680 k( 265) = ( 0.4696970 0.5398190 0.2781110), wk = 0.0032680 k( 266) = ( 0.4772727 0.5485257 0.2648467), wk = 0.0032680 k( 267) = ( 0.4848485 0.5572325 0.2515825), wk = 0.0032680 k( 268) = ( 0.4924242 0.5659392 0.2383182), wk = 0.0032680 k( 269) = ( 0.5000000 0.5746460 0.2250540), wk = 0.0032680 k( 270) = ( 0.5000000 0.5746460 0.2250540), wk = 0.0032680 k( 271) = ( 0.5000000 0.5746460 0.2077422), wk = 0.0032680 k( 272) = ( 0.5000000 0.5746460 0.1904303), wk = 0.0032680 k( 273) = ( 0.5000000 0.5746460 0.1731185), wk = 0.0032680 k( 274) = ( 0.5000000 0.5746460 0.1558066), wk = 0.0032680 k( 275) = ( 0.5000000 0.5746460 0.1384948), wk = 0.0032680 k( 276) = ( 0.5000000 0.5746460 0.1211829), wk = 0.0032680 k( 277) = ( 0.5000000 0.5746460 0.1038711), wk = 0.0032680 k( 278) = ( 0.5000000 0.5746460 0.0865592), wk = 0.0032680 k( 279) = ( 0.5000000 0.5746460 0.0692474), wk = 0.0032680 k( 280) = ( 0.5000000 0.5746460 0.0519355), wk = 0.0032680 k( 281) = ( 0.5000000 0.5746460 0.0346237), wk = 0.0032680 k( 282) = ( 0.5000000 0.5746460 0.0173118), wk = 0.0032680 k( 283) = ( 0.5000000 0.5746460 -0.0000000), wk = 0.0032680 k( 284) = ( 0.0000000 0.0000000 0.6627736), wk = 0.0032680 k( 285) = ( 0.0113636 0.0130601 0.6627736), wk = 0.0032680 k( 286) = ( 0.0227273 0.0261203 0.6627736), wk = 0.0032680 k( 287) = ( 0.0340909 0.0391804 0.6627736), wk = 0.0032680 k( 288) = ( 0.0454546 0.0522406 0.6627736), wk = 0.0032680 k( 289) = ( 0.0568182 0.0653007 0.6627736), wk = 0.0032680 k( 290) = ( 0.0681818 0.0783608 0.6627736), wk = 0.0032680 k( 291) = ( 0.0795455 0.0914210 0.6627736), wk = 0.0032680 k( 292) = ( 0.0909091 0.1044811 0.6627736), wk = 0.0032680 k( 293) = ( 0.1022727 0.1175412 0.6627736), wk = 0.0032680 k( 294) = ( 0.1136364 0.1306014 0.6627736), wk = 0.0032680 k( 295) = ( 0.1250000 0.1436615 0.6627736), wk = 0.0032680 k( 296) = ( 0.1363636 0.1567216 0.6627736), wk = 0.0032680 k( 297) = ( 0.1477273 0.1697818 0.6627736), wk = 0.0032680 k( 298) = ( 0.1590909 0.1828419 0.6627736), wk = 0.0032680 k( 299) = ( 0.1704546 0.1959021 0.6627736), wk = 0.0032680 k( 300) = ( 0.1818182 0.2089622 0.6627736), wk = 0.0032680 k( 301) = ( 0.1931818 0.2220223 0.6627736), wk = 0.0032680 k( 302) = ( 0.2045454 0.2350825 0.6627736), wk = 0.0032680 k( 303) = ( 0.2159091 0.2481426 0.6627736), wk = 0.0032680 k( 304) = ( 0.2272727 0.2612027 0.6627736), wk = 0.0032680 k( 305) = ( 0.2386364 0.2742629 0.6627736), wk = 0.0032680 k( 306) = ( 0.2500000 0.2873230 0.6627736), wk = 0.0032680 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0032680 k( 3) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0032680 k( 4) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0032680 k( 5) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0032680 k( 6) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0032680 k( 7) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0032680 k( 8) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0032680 k( 9) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0032680 k( 10) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0032680 k( 11) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0032680 k( 12) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0032680 k( 13) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0032680 k( 14) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0032680 k( 15) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0032680 k( 16) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0032680 k( 17) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0032680 k( 18) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0032680 k( 19) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0032680 k( 20) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032680 k( 21) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0032680 k( 22) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0032680 k( 23) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0032680 k( 24) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0032680 k( 25) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0032680 k( 26) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0032680 k( 27) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0032680 k( 28) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0032680 k( 29) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0032680 k( 30) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0032680 k( 31) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0032680 k( 32) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0032680 k( 33) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0032680 k( 34) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0032680 k( 35) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0032680 k( 36) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0032680 k( 37) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0032680 k( 38) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0032680 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 41) = ( -0.0132087 0.0132087 0.5000000), wk = 0.0032680 k( 42) = ( -0.0264174 0.0264174 0.5000000), wk = 0.0032680 k( 43) = ( -0.0396262 0.0396262 0.5000000), wk = 0.0032680 k( 44) = ( -0.0528349 0.0528349 0.5000000), wk = 0.0032680 k( 45) = ( -0.0660436 0.0660436 0.5000000), wk = 0.0032680 k( 46) = ( -0.0792523 0.0792523 0.5000000), wk = 0.0032680 k( 47) = ( -0.0924611 0.0924611 0.5000000), wk = 0.0032680 k( 48) = ( -0.1056698 0.1056698 0.5000000), wk = 0.0032680 k( 49) = ( -0.1188785 0.1188785 0.5000000), wk = 0.0032680 k( 50) = ( -0.1320872 0.1320872 0.5000000), wk = 0.0032680 k( 51) = ( -0.1452959 0.1452959 0.5000000), wk = 0.0032680 k( 52) = ( -0.1585047 0.1585047 0.5000000), wk = 0.0032680 k( 53) = ( -0.1717134 0.1717134 0.5000000), wk = 0.0032680 k( 54) = ( -0.1849221 0.1849221 0.5000000), wk = 0.0032680 k( 55) = ( -0.1981308 0.1981308 0.5000000), wk = 0.0032680 k( 56) = ( -0.2113395 0.2113395 0.5000000), wk = 0.0032680 k( 57) = ( -0.2245483 0.2245483 0.5000000), wk = 0.0032680 k( 58) = ( -0.2377570 0.2377570 0.5000000), wk = 0.0032680 k( 59) = ( -0.2509657 0.2509657 0.5000000), wk = 0.0032680 k( 60) = ( -0.2641744 0.2641744 0.5000000), wk = 0.0032680 k( 61) = ( -0.2773832 0.2773832 0.5000000), wk = 0.0032680 k( 62) = ( -0.2905919 0.2905919 0.5000000), wk = 0.0032680 k( 63) = ( -0.3038006 0.3038006 0.5000000), wk = 0.0032680 k( 64) = ( -0.3170093 0.3170093 0.5000000), wk = 0.0032680 k( 65) = ( -0.3302180 0.3302180 0.5000000), wk = 0.0032680 k( 66) = ( -0.3302180 0.3302180 0.5000000), wk = 0.0032680 k( 67) = ( -0.3387071 0.3387071 0.4915109), wk = 0.0032680 k( 68) = ( -0.3471962 0.3471962 0.4830218), wk = 0.0032680 k( 69) = ( -0.3556853 0.3556853 0.4745327), wk = 0.0032680 k( 70) = ( -0.3641744 0.3641744 0.4660436), wk = 0.0032680 k( 71) = ( -0.3726635 0.3726635 0.4575545), wk = 0.0032680 k( 72) = ( -0.3811526 0.3811526 0.4490654), wk = 0.0032680 k( 73) = ( -0.3896417 0.3896417 0.4405763), wk = 0.0032680 k( 74) = ( -0.3981308 0.3981308 0.4320872), wk = 0.0032680 k( 75) = ( -0.4066199 0.4066199 0.4235981), wk = 0.0032680 k( 76) = ( -0.4151090 0.4151090 0.4151090), wk = 0.0032680 k( 77) = ( -0.4151090 0.4151090 0.4151090), wk = 0.0032680 k( 78) = ( -0.4058844 0.4058844 0.4058844), wk = 0.0032680 k( 79) = ( -0.3966597 0.3966597 0.3966597), wk = 0.0032680 k( 80) = ( -0.3874351 0.3874351 0.3874351), wk = 0.0032680 k( 81) = ( -0.3782104 0.3782104 0.3782104), wk = 0.0032680 k( 82) = ( -0.3689858 0.3689858 0.3689858), wk = 0.0032680 k( 83) = ( -0.3597611 0.3597611 0.3597612), wk = 0.0032680 k( 84) = ( -0.3505365 0.3505365 0.3505365), wk = 0.0032680 k( 85) = ( -0.3413119 0.3413119 0.3413119), wk = 0.0032680 k( 86) = ( -0.3320872 0.3320872 0.3320872), wk = 0.0032680 k( 87) = ( -0.3228626 0.3228626 0.3228626), wk = 0.0032680 k( 88) = ( -0.3136379 0.3136379 0.3136379), wk = 0.0032680 k( 89) = ( -0.3044133 0.3044133 0.3044133), wk = 0.0032680 k( 90) = ( -0.2951886 0.2951886 0.2951886), wk = 0.0032680 k( 91) = ( -0.2859640 0.2859640 0.2859640), wk = 0.0032680 k( 92) = ( -0.2767393 0.2767393 0.2767393), wk = 0.0032680 k( 93) = ( -0.2675147 0.2675147 0.2675147), wk = 0.0032680 k( 94) = ( -0.2582900 0.2582900 0.2582900), wk = 0.0032680 k( 95) = ( -0.2490654 0.2490654 0.2490654), wk = 0.0032680 k( 96) = ( -0.2398408 0.2398408 0.2398408), wk = 0.0032680 k( 97) = ( -0.2306161 0.2306161 0.2306161), wk = 0.0032680 k( 98) = ( -0.2213915 0.2213915 0.2213915), wk = 0.0032680 k( 99) = ( -0.2121668 0.2121668 0.2121668), wk = 0.0032680 k( 100) = ( -0.2029422 0.2029422 0.2029422), wk = 0.0032680 k( 101) = ( -0.1937175 0.1937175 0.1937175), wk = 0.0032680 k( 102) = ( -0.1844929 0.1844929 0.1844929), wk = 0.0032680 k( 103) = ( -0.1752682 0.1752682 0.1752683), wk = 0.0032680 k( 104) = ( -0.1660436 0.1660436 0.1660436), wk = 0.0032680 k( 105) = ( -0.1568190 0.1568190 0.1568190), wk = 0.0032680 k( 106) = ( -0.1475943 0.1475943 0.1475943), wk = 0.0032680 k( 107) = ( -0.1383697 0.1383697 0.1383697), wk = 0.0032680 k( 108) = ( -0.1291450 0.1291450 0.1291450), wk = 0.0032680 k( 109) = ( -0.1199204 0.1199204 0.1199204), wk = 0.0032680 k( 110) = ( -0.1106957 0.1106957 0.1106957), wk = 0.0032680 k( 111) = ( -0.1014711 0.1014711 0.1014711), wk = 0.0032680 k( 112) = ( -0.0922464 0.0922465 0.0922464), wk = 0.0032680 k( 113) = ( -0.0830218 0.0830218 0.0830218), wk = 0.0032680 k( 114) = ( -0.0737972 0.0737972 0.0737972), wk = 0.0032680 k( 115) = ( -0.0645725 0.0645725 0.0645725), wk = 0.0032680 k( 116) = ( -0.0553479 0.0553479 0.0553479), wk = 0.0032680 k( 117) = ( -0.0461232 0.0461232 0.0461232), wk = 0.0032680 k( 118) = ( -0.0368986 0.0368986 0.0368986), wk = 0.0032680 k( 119) = ( -0.0276739 0.0276739 0.0276739), wk = 0.0032680 k( 120) = ( -0.0184493 0.0184493 0.0184493), wk = 0.0032680 k( 121) = ( -0.0092246 0.0092246 0.0092246), wk = 0.0032680 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 124) = ( 0.0113636 0.0113636 -0.0113636), wk = 0.0032680 k( 125) = ( 0.0227273 0.0227273 -0.0227273), wk = 0.0032680 k( 126) = ( 0.0340909 0.0340909 -0.0340909), wk = 0.0032680 k( 127) = ( 0.0454546 0.0454545 -0.0454546), wk = 0.0032680 k( 128) = ( 0.0568182 0.0568182 -0.0568182), wk = 0.0032680 k( 129) = ( 0.0681818 0.0681818 -0.0681818), wk = 0.0032680 k( 130) = ( 0.0795455 0.0795455 -0.0795455), wk = 0.0032680 k( 131) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0032680 k( 132) = ( 0.1022727 0.1022727 -0.1022727), wk = 0.0032680 k( 133) = ( 0.1136364 0.1136364 -0.1136364), wk = 0.0032680 k( 134) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0032680 k( 135) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0032680 k( 136) = ( 0.1477273 0.1477273 -0.1477273), wk = 0.0032680 k( 137) = ( 0.1590909 0.1590909 -0.1590909), wk = 0.0032680 k( 138) = ( 0.1704546 0.1704546 -0.1704546), wk = 0.0032680 k( 139) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0032680 k( 140) = ( 0.1931818 0.1931818 -0.1931818), wk = 0.0032680 k( 141) = ( 0.2045454 0.2045454 -0.2045455), wk = 0.0032680 k( 142) = ( 0.2159091 0.2159091 -0.2159091), wk = 0.0032680 k( 143) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0032680 k( 144) = ( 0.2386364 0.2386364 -0.2386364), wk = 0.0032680 k( 145) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0032680 k( 146) = ( 0.2613636 0.2613636 -0.2613636), wk = 0.0032680 k( 147) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0032680 k( 148) = ( 0.2840909 0.2840909 -0.2840909), wk = 0.0032680 k( 149) = ( 0.2954545 0.2954545 -0.2954545), wk = 0.0032680 k( 150) = ( 0.3068182 0.3068182 -0.3068182), wk = 0.0032680 k( 151) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0032680 k( 152) = ( 0.3295455 0.3295455 -0.3295454), wk = 0.0032680 k( 153) = ( 0.3409091 0.3409091 -0.3409091), wk = 0.0032680 k( 154) = ( 0.3522727 0.3522727 -0.3522727), wk = 0.0032680 k( 155) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0032680 k( 156) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0032680 k( 157) = ( 0.3863636 0.3863636 -0.3863636), wk = 0.0032680 k( 158) = ( 0.3977273 0.3977273 -0.3977273), wk = 0.0032680 k( 159) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0032680 k( 160) = ( 0.4204545 0.4204545 -0.4204545), wk = 0.0032680 k( 161) = ( 0.4318182 0.4318182 -0.4318182), wk = 0.0032680 k( 162) = ( 0.4431818 0.4431818 -0.4431818), wk = 0.0032680 k( 163) = ( 0.4545455 0.4545454 -0.4545455), wk = 0.0032680 k( 164) = ( 0.4659091 0.4659091 -0.4659091), wk = 0.0032680 k( 165) = ( 0.4772727 0.4772727 -0.4772727), wk = 0.0032680 k( 166) = ( 0.4886364 0.4886364 -0.4886364), wk = 0.0032680 k( 167) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032680 k( 168) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032680 k( 169) = ( 0.4915109 0.5084891 -0.4915109), wk = 0.0032680 k( 170) = ( 0.4830218 0.5169782 -0.4830218), wk = 0.0032680 k( 171) = ( 0.4745327 0.5254673 -0.4745327), wk = 0.0032680 k( 172) = ( 0.4660436 0.5339564 -0.4660436), wk = 0.0032680 k( 173) = ( 0.4575545 0.5424455 -0.4575545), wk = 0.0032680 k( 174) = ( 0.4490654 0.5509346 -0.4490654), wk = 0.0032680 k( 175) = ( 0.4405763 0.5594237 -0.4405763), wk = 0.0032680 k( 176) = ( 0.4320872 0.5679128 -0.4320872), wk = 0.0032680 k( 177) = ( 0.4235981 0.5764019 -0.4235981), wk = 0.0032680 k( 178) = ( 0.4151090 0.5848910 -0.4151090), wk = 0.0032680 k( 179) = ( 0.4151090 0.5848910 -0.4151090), wk = 0.0032680 k( 180) = ( 0.4002837 0.5818592 -0.4002837), wk = 0.0032680 k( 181) = ( 0.3854584 0.5788273 -0.3854584), wk = 0.0032680 k( 182) = ( 0.3706331 0.5757955 -0.3706330), wk = 0.0032680 k( 183) = ( 0.3558077 0.5727637 -0.3558077), wk = 0.0032680 k( 184) = ( 0.3409824 0.5697319 -0.3409824), wk = 0.0032680 k( 185) = ( 0.3261571 0.5667001 -0.3261571), wk = 0.0032680 k( 186) = ( 0.3113318 0.5636682 -0.3113318), wk = 0.0032680 k( 187) = ( 0.2965064 0.5606364 -0.2965064), wk = 0.0032680 k( 188) = ( 0.2816811 0.5576046 -0.2816811), wk = 0.0032680 k( 189) = ( 0.2668558 0.5545728 -0.2668558), wk = 0.0032680 k( 190) = ( 0.2520305 0.5515410 -0.2520305), wk = 0.0032680 k( 191) = ( 0.2372052 0.5485091 -0.2372051), wk = 0.0032680 k( 192) = ( 0.2223798 0.5454773 -0.2223798), wk = 0.0032680 k( 193) = ( 0.2075545 0.5424455 -0.2075545), wk = 0.0032680 k( 194) = ( 0.1927292 0.5394137 -0.1927292), wk = 0.0032680 k( 195) = ( 0.1779039 0.5363818 -0.1779039), wk = 0.0032680 k( 196) = ( 0.1630785 0.5333500 -0.1630785), wk = 0.0032680 k( 197) = ( 0.1482532 0.5303182 -0.1482532), wk = 0.0032680 k( 198) = ( 0.1334279 0.5272864 -0.1334279), wk = 0.0032680 k( 199) = ( 0.1186026 0.5242546 -0.1186026), wk = 0.0032680 k( 200) = ( 0.1037773 0.5212227 -0.1037772), wk = 0.0032680 k( 201) = ( 0.0889519 0.5181909 -0.0889519), wk = 0.0032680 k( 202) = ( 0.0741266 0.5151591 -0.0741266), wk = 0.0032680 k( 203) = ( 0.0593013 0.5121273 -0.0593013), wk = 0.0032680 k( 204) = ( 0.0444760 0.5090955 -0.0444760), wk = 0.0032680 k( 205) = ( 0.0296506 0.5060636 -0.0296506), wk = 0.0032680 k( 206) = ( 0.0148253 0.5030318 -0.0148253), wk = 0.0032680 k( 207) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 208) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 209) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0032680 k( 210) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0032680 k( 211) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0032680 k( 212) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0032680 k( 213) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0032680 k( 214) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0032680 k( 215) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0032680 k( 216) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0032680 k( 217) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0032680 k( 218) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0032680 k( 219) = ( 0.1018518 0.3981481 0.1018519), wk = 0.0032680 k( 220) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0032680 k( 221) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0032680 k( 222) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0032680 k( 223) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0032680 k( 224) = ( 0.1481482 0.3518519 0.1481482), wk = 0.0032680 k( 225) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0032680 k( 226) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0032680 k( 227) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0032680 k( 228) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0032680 k( 229) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0032680 k( 230) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0032680 k( 231) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0032680 k( 232) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0032680 k( 233) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0032680 k( 234) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0032680 k( 235) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032680 k( 236) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032680 k( 237) = ( 0.2575758 0.2575758 0.2324176), wk = 0.0032680 k( 238) = ( 0.2651515 0.2651515 0.2148353), wk = 0.0032680 k( 239) = ( 0.2727273 0.2727273 0.1972529), wk = 0.0032680 k( 240) = ( 0.2803030 0.2803030 0.1796705), wk = 0.0032680 k( 241) = ( 0.2878788 0.2878788 0.1620882), wk = 0.0032680 k( 242) = ( 0.2954545 0.2954545 0.1445058), wk = 0.0032680 k( 243) = ( 0.3030303 0.3030303 0.1269235), wk = 0.0032680 k( 244) = ( 0.3106061 0.3106061 0.1093411), wk = 0.0032680 k( 245) = ( 0.3181818 0.3181818 0.0917587), wk = 0.0032680 k( 246) = ( 0.3257576 0.3257576 0.0741764), wk = 0.0032680 k( 247) = ( 0.3333333 0.3333333 0.0565940), wk = 0.0032680 k( 248) = ( 0.3409091 0.3409091 0.0390116), wk = 0.0032680 k( 249) = ( 0.3484849 0.3484848 0.0214293), wk = 0.0032680 k( 250) = ( 0.3560606 0.3560606 0.0038469), wk = 0.0032680 k( 251) = ( 0.3636364 0.3636364 -0.0137355), wk = 0.0032680 k( 252) = ( 0.3712121 0.3712121 -0.0313178), wk = 0.0032680 k( 253) = ( 0.3787879 0.3787879 -0.0489002), wk = 0.0032680 k( 254) = ( 0.3863636 0.3863636 -0.0664826), wk = 0.0032680 k( 255) = ( 0.3939394 0.3939394 -0.0840649), wk = 0.0032680 k( 256) = ( 0.4015151 0.4015151 -0.1016473), wk = 0.0032680 k( 257) = ( 0.4090909 0.4090909 -0.1192297), wk = 0.0032680 k( 258) = ( 0.4166667 0.4166667 -0.1368120), wk = 0.0032680 k( 259) = ( 0.4242424 0.4242424 -0.1543944), wk = 0.0032680 k( 260) = ( 0.4318182 0.4318182 -0.1719768), wk = 0.0032680 k( 261) = ( 0.4393939 0.4393939 -0.1895591), wk = 0.0032680 k( 262) = ( 0.4469697 0.4469697 -0.2071415), wk = 0.0032680 k( 263) = ( 0.4545455 0.4545454 -0.2247239), wk = 0.0032680 k( 264) = ( 0.4621212 0.4621212 -0.2423062), wk = 0.0032680 k( 265) = ( 0.4696970 0.4696970 -0.2598886), wk = 0.0032680 k( 266) = ( 0.4772727 0.4772727 -0.2774709), wk = 0.0032680 k( 267) = ( 0.4848485 0.4848485 -0.2950533), wk = 0.0032680 k( 268) = ( 0.4924242 0.4924242 -0.3126357), wk = 0.0032680 k( 269) = ( 0.5000000 0.5000000 -0.3302180), wk = 0.0032680 k( 270) = ( 0.5000000 0.5000000 -0.3302180), wk = 0.0032680 k( 271) = ( 0.5000000 0.5000000 -0.3432782), wk = 0.0032680 k( 272) = ( 0.5000000 0.5000000 -0.3563383), wk = 0.0032680 k( 273) = ( 0.5000000 0.5000000 -0.3693985), wk = 0.0032680 k( 274) = ( 0.5000000 0.5000000 -0.3824586), wk = 0.0032680 k( 275) = ( 0.5000000 0.5000000 -0.3955188), wk = 0.0032680 k( 276) = ( 0.5000000 0.5000000 -0.4085789), wk = 0.0032680 k( 277) = ( 0.5000000 0.5000000 -0.4216391), wk = 0.0032680 k( 278) = ( 0.5000000 0.5000000 -0.4346992), wk = 0.0032680 k( 279) = ( 0.5000000 0.5000000 -0.4477594), wk = 0.0032680 k( 280) = ( 0.5000000 0.5000000 -0.4608195), wk = 0.0032680 k( 281) = ( 0.5000000 0.5000000 -0.4738797), wk = 0.0032680 k( 282) = ( 0.5000000 0.5000000 -0.4869398), wk = 0.0032680 k( 283) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032680 k( 284) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 285) = ( 0.0113636 0.0113636 0.4886364), wk = 0.0032680 k( 286) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0032680 k( 287) = ( 0.0340909 0.0340909 0.4659091), wk = 0.0032680 k( 288) = ( 0.0454546 0.0454545 0.4545455), wk = 0.0032680 k( 289) = ( 0.0568182 0.0568182 0.4431818), wk = 0.0032680 k( 290) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0032680 k( 291) = ( 0.0795455 0.0795455 0.4204546), wk = 0.0032680 k( 292) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0032680 k( 293) = ( 0.1022727 0.1022727 0.3977273), wk = 0.0032680 k( 294) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0032680 k( 295) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0032680 k( 296) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0032680 k( 297) = ( 0.1477273 0.1477273 0.3522727), wk = 0.0032680 k( 298) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0032680 k( 299) = ( 0.1704546 0.1704546 0.3295455), wk = 0.0032680 k( 300) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0032680 k( 301) = ( 0.1931818 0.1931818 0.3068182), wk = 0.0032680 k( 302) = ( 0.2045454 0.2045454 0.2954545), wk = 0.0032680 k( 303) = ( 0.2159091 0.2159091 0.2840909), wk = 0.0032680 k( 304) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0032680 k( 305) = ( 0.2386364 0.2386364 0.2613636), wk = 0.0032680 k( 306) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032680 Dense grid: 81339 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 40787 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 294, 58) NL pseudopotentials 0.29 Mb ( 147, 128) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2261) G-vector shells 0.01 Mb ( 1010) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.04 Mb ( 294, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.23 Mb ( 128, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./RbHF2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 8.0 secs Computing kpt #: 11 total cpu time spent up to now is 8.6 secs Computing kpt #: 12 total cpu time spent up to now is 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.6 secs Computing kpt #: 14 total cpu time spent up to now is 10.1 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.7 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.7 secs Computing kpt #: 20 total cpu time spent up to now is 13.2 secs Computing kpt #: 21 total cpu time spent up to now is 13.7 secs Computing kpt #: 22 total cpu time spent up to now is 14.3 secs Computing kpt #: 23 total cpu time spent up to now is 14.8 secs Computing kpt #: 24 total cpu time spent up to now is 15.4 secs Computing kpt #: 25 total cpu time spent up to now is 16.0 secs Computing kpt #: 26 total cpu time spent up to now is 16.6 secs Computing kpt #: 27 total cpu time spent up to now is 17.1 secs Computing kpt #: 28 total cpu time spent up to now is 17.7 secs Computing kpt #: 29 total cpu time spent up to now is 18.2 secs Computing kpt #: 30 total cpu time spent up to now is 18.7 secs Computing kpt #: 31 total cpu time spent up to now is 19.3 secs Computing kpt #: 32 total cpu time spent up to now is 19.9 secs Computing kpt #: 33 total cpu time spent up to now is 20.4 secs Computing kpt #: 34 total cpu time spent up to now is 21.0 secs Computing kpt #: 35 total cpu time spent up to now is 21.5 secs Computing kpt #: 36 total cpu time spent up to now is 22.1 secs Computing kpt #: 37 total cpu time spent up to now is 22.6 secs Computing kpt #: 38 total cpu time spent up to now is 23.1 secs Computing kpt #: 39 total cpu time spent up to now is 23.7 secs Computing kpt #: 40 total cpu time spent up to now is 24.2 secs Computing kpt #: 41 total cpu time spent up to now is 24.7 secs Computing kpt #: 42 total cpu time spent up to now is 25.3 secs Computing kpt #: 43 total cpu time spent up to now is 25.8 secs Computing kpt #: 44 total cpu time spent up to now is 26.3 secs Computing kpt #: 45 total cpu time spent up to now is 26.9 secs Computing kpt #: 46 total cpu time spent up to now is 27.4 secs Computing kpt #: 47 total cpu time spent up to now is 27.9 secs Computing kpt #: 48 total cpu time spent up to now is 28.5 secs Computing kpt #: 49 total cpu time spent up to now is 29.0 secs Computing kpt #: 50 total cpu time spent up to now is 29.6 secs Computing kpt #: 51 total cpu time spent up to now is 30.1 secs Computing kpt #: 52 total cpu time spent up to now is 30.6 secs Computing kpt #: 53 total cpu time spent up to now is 31.2 secs Computing kpt #: 54 total cpu time spent up to now is 31.7 secs Computing kpt #: 55 total cpu time spent up to now is 32.3 secs Computing kpt #: 56 total cpu time spent up to now is 32.8 secs Computing kpt #: 57 total cpu time spent up to now is 33.4 secs Computing kpt #: 58 total cpu time spent up to now is 33.9 secs Computing kpt #: 59 total cpu time spent up to now is 34.4 secs Computing kpt #: 60 total cpu time spent up to now is 35.0 secs Computing kpt #: 61 total cpu time spent up to now is 35.5 secs Computing kpt #: 62 total cpu time spent up to now is 36.0 secs Computing kpt #: 63 total cpu time spent up to now is 36.6 secs Computing kpt #: 64 total cpu time spent up to now is 37.3 secs Computing kpt #: 65 total cpu time spent up to now is 37.9 secs Computing kpt #: 66 total cpu time spent up to now is 38.6 secs Computing kpt #: 67 total cpu time spent up to now is 39.2 secs Computing kpt #: 68 total cpu time spent up to now is 39.8 secs Computing kpt #: 69 total cpu time spent up to now is 40.5 secs Computing kpt #: 70 total cpu time spent up to now is 41.2 secs Computing kpt #: 71 total cpu time spent up to now is 41.8 secs Computing kpt #: 72 total cpu time spent up to now is 42.5 secs Computing kpt #: 73 total cpu time spent up to now is 43.0 secs Computing kpt #: 74 total cpu time spent up to now is 43.6 secs Computing kpt #: 75 total cpu time spent up to now is 44.2 secs Computing kpt #: 76 total cpu time spent up to now is 44.7 secs Computing kpt #: 77 total cpu time spent up to now is 45.4 secs Computing kpt #: 78 total cpu time spent up to now is 45.9 secs Computing kpt #: 79 total cpu time spent up to now is 46.5 secs Computing kpt #: 80 total cpu time spent up to now is 47.1 secs Computing kpt #: 81 total cpu time spent up to now is 47.8 secs Computing kpt #: 82 total cpu time spent up to now is 48.4 secs Computing kpt #: 83 total cpu time spent up to now is 48.9 secs Computing kpt #: 84 total cpu time spent up to now is 49.6 secs Computing kpt #: 85 total cpu time spent up to now is 50.2 secs Computing kpt #: 86 total cpu time spent up to now is 50.9 secs Computing kpt #: 87 total cpu time spent up to now is 51.5 secs Computing kpt #: 88 total cpu time spent up to now is 52.2 secs Computing kpt #: 89 total cpu time spent up to now is 52.9 secs Computing kpt #: 90 total cpu time spent up to now is 53.4 secs Computing kpt #: 91 total cpu time spent up to now is 54.0 secs Computing kpt #: 92 total cpu time spent up to now is 54.6 secs Computing kpt #: 93 total cpu time spent up to now is 55.2 secs Computing kpt #: 94 total cpu time spent up to now is 55.8 secs Computing kpt #: 95 total cpu time spent up to now is 56.5 secs Computing kpt #: 96 total cpu time spent up to now is 57.1 secs Computing kpt #: 97 total cpu time spent up to now is 57.7 secs Computing kpt #: 98 total cpu time spent up to now is 58.3 secs Computing kpt #: 99 total cpu time spent up to now is 58.9 secs Computing kpt #: 100 total cpu time spent up to now is 59.4 secs Computing kpt #: 101 total cpu time spent up to now is 60.0 secs Computing kpt #: 102 total cpu time spent up to now is 60.6 secs Computing kpt #: 103 total cpu time spent up to now is 61.1 secs Computing kpt #: 104 total cpu time spent up to now is 61.7 secs Computing kpt #: 105 total cpu time spent up to now is 62.3 secs Computing kpt #: 106 total cpu time spent up to now is 62.8 secs Computing kpt #: 107 total cpu time spent up to now is 63.4 secs Computing kpt #: 108 total cpu time spent up to now is 63.9 secs Computing kpt #: 109 total cpu time spent up to now is 64.5 secs Computing kpt #: 110 total cpu time spent up to now is 65.1 secs Computing kpt #: 111 total cpu time spent up to now is 65.7 secs Computing kpt #: 112 total cpu time spent up to now is 66.2 secs Computing kpt #: 113 total cpu time spent up to now is 66.9 secs Computing kpt #: 114 total cpu time spent up to now is 67.5 secs Computing kpt #: 115 total cpu time spent up to now is 68.2 secs Computing kpt #: 116 total cpu time spent up to now is 68.8 secs Computing kpt #: 117 total cpu time spent up to now is 69.5 secs Computing kpt #: 118 total cpu time spent up to now is 70.2 secs Computing kpt #: 119 total cpu time spent up to now is 70.8 secs Computing kpt #: 120 total cpu time spent up to now is 71.5 secs Computing kpt #: 121 total cpu time spent up to now is 72.1 secs Computing kpt #: 122 total cpu time spent up to now is 72.8 secs Computing kpt #: 123 total cpu time spent up to now is 73.5 secs Computing kpt #: 124 total cpu time spent up to now is 74.1 secs Computing kpt #: 125 total cpu time spent up to now is 74.8 secs Computing kpt #: 126 total cpu time spent up to now is 75.4 secs Computing kpt #: 127 total cpu time spent up to now is 76.1 secs Computing kpt #: 128 total cpu time spent up to now is 76.8 secs Computing kpt #: 129 total cpu time spent up to now is 77.4 secs Computing kpt #: 130 total cpu time spent up to now is 78.1 secs Computing kpt #: 131 total cpu time spent up to now is 78.8 secs Computing kpt #: 132 total cpu time spent up to now is 79.5 secs Computing kpt #: 133 total cpu time spent up to now is 80.1 secs Computing kpt #: 134 total cpu time spent up to now is 80.8 secs Computing kpt #: 135 total cpu time spent up to now is 81.5 secs Computing kpt #: 136 total cpu time spent up to now is 82.2 secs Computing kpt #: 137 total cpu time spent up to now is 82.9 secs Computing kpt #: 138 total cpu time spent up to now is 83.5 secs Computing kpt #: 139 total cpu time spent up to now is 84.2 secs Computing kpt #: 140 total cpu time spent up to now is 84.9 secs Computing kpt #: 141 total cpu time spent up to now is 85.6 secs Computing kpt #: 142 total cpu time spent up to now is 86.3 secs Computing kpt #: 143 total cpu time spent up to now is 87.0 secs Computing kpt #: 144 total cpu time spent up to now is 87.7 secs Computing kpt #: 145 total cpu time spent up to now is 88.4 secs Computing kpt #: 146 total cpu time spent up to now is 89.0 secs Computing kpt #: 147 total cpu time spent up to now is 89.7 secs Computing kpt #: 148 total cpu time spent up to now is 90.4 secs Computing kpt #: 149 total cpu time spent up to now is 91.1 secs Computing kpt #: 150 total cpu time spent up to now is 91.7 secs Computing kpt #: 151 total cpu time spent up to now is 92.3 secs Computing kpt #: 152 total cpu time spent up to now is 92.9 secs Computing kpt #: 153 total cpu time spent up to now is 93.4 secs Computing kpt #: 154 total cpu time spent up to now is 94.0 secs Computing kpt #: 155 total cpu time spent up to now is 94.6 secs Computing kpt #: 156 total cpu time spent up to now is 95.1 secs Computing kpt #: 157 total cpu time spent up to now is 95.7 secs Computing kpt #: 158 total cpu time spent up to now is 96.3 secs Computing kpt #: 159 total cpu time spent up to now is 96.8 secs Computing kpt #: 160 total cpu time spent up to now is 97.4 secs Computing kpt #: 161 total cpu time spent up to now is 97.9 secs Computing kpt #: 162 total cpu time spent up to now is 98.5 secs Computing kpt #: 163 total cpu time spent up to now is 99.1 secs Computing kpt #: 164 total cpu time spent up to now is 99.6 secs Computing kpt #: 165 total cpu time spent up to now is 100.2 secs Computing kpt #: 166 total cpu time spent up to now is 100.8 secs Computing kpt #: 167 total cpu time spent up to now is 101.3 secs Computing kpt #: 168 total cpu time spent up to now is 101.9 secs Computing kpt #: 169 total cpu time spent up to now is 102.4 secs Computing kpt #: 170 total cpu time spent up to now is 103.0 secs Computing kpt #: 171 total cpu time spent up to now is 103.6 secs Computing kpt #: 172 total cpu time spent up to now is 104.1 secs Computing kpt #: 173 total cpu time spent up to now is 104.7 secs Computing kpt #: 174 total cpu time spent up to now is 105.3 secs Computing kpt #: 175 total cpu time spent up to now is 105.8 secs Computing kpt #: 176 total cpu time spent up to now is 106.4 secs Computing kpt #: 177 total cpu time spent up to now is 107.0 secs Computing kpt #: 178 total cpu time spent up to now is 107.6 secs Computing kpt #: 179 total cpu time spent up to now is 108.2 secs Computing kpt #: 180 total cpu time spent up to now is 108.7 secs Computing kpt #: 181 total cpu time spent up to now is 109.4 secs Computing kpt #: 182 total cpu time spent up to now is 110.0 secs Computing kpt #: 183 total cpu time spent up to now is 110.6 secs Computing kpt #: 184 total cpu time spent up to now is 111.2 secs Computing kpt #: 185 total cpu time spent up to now is 111.8 secs Computing kpt #: 186 total cpu time spent up to now is 112.4 secs Computing kpt #: 187 total cpu time spent up to now is 112.9 secs Computing kpt #: 188 total cpu time spent up to now is 113.5 secs Computing kpt #: 189 total cpu time spent up to now is 114.1 secs Computing kpt #: 190 total cpu time spent up to now is 114.7 secs Computing kpt #: 191 total cpu time spent up to now is 115.3 secs Computing kpt #: 192 total cpu time spent up to now is 115.9 secs Computing kpt #: 193 total cpu time spent up to now is 116.5 secs Computing kpt #: 194 total cpu time spent up to now is 117.1 secs Computing kpt #: 195 total cpu time spent up to now is 117.8 secs Computing kpt #: 196 total cpu time spent up to now is 118.5 secs Computing kpt #: 197 total cpu time spent up to now is 119.1 secs Computing kpt #: 198 total cpu time spent up to now is 119.8 secs Computing kpt #: 199 total cpu time spent up to now is 120.5 secs Computing kpt #: 200 total cpu time spent up to now is 121.1 secs Computing kpt #: 201 total cpu time spent up to now is 121.8 secs Computing kpt #: 202 total cpu time spent up to now is 122.5 secs Computing kpt #: 203 total cpu time spent up to now is 123.2 secs Computing kpt #: 204 total cpu time spent up to now is 123.8 secs Computing kpt #: 205 total cpu time spent up to now is 124.5 secs Computing kpt #: 206 total cpu time spent up to now is 125.2 secs Computing kpt #: 207 total cpu time spent up to now is 125.9 secs Computing kpt #: 208 total cpu time spent up to now is 126.5 secs Computing kpt #: 209 total cpu time spent up to now is 127.2 secs Computing kpt #: 210 total cpu time spent up to now is 127.9 secs Computing kpt #: 211 total cpu time spent up to now is 128.6 secs Computing kpt #: 212 total cpu time spent up to now is 129.3 secs Computing kpt #: 213 total cpu time spent up to now is 130.0 secs Computing kpt #: 214 total cpu time spent up to now is 130.6 secs Computing kpt #: 215 total cpu time spent up to now is 131.3 secs Computing kpt #: 216 total cpu time spent up to now is 132.0 secs Computing kpt #: 217 total cpu time spent up to now is 132.7 secs Computing kpt #: 218 total cpu time spent up to now is 133.4 secs Computing kpt #: 219 total cpu time spent up to now is 134.1 secs Computing kpt #: 220 total cpu time spent up to now is 134.7 secs Computing kpt #: 221 total cpu time spent up to now is 135.4 secs Computing kpt #: 222 total cpu time spent up to now is 136.1 secs Computing kpt #: 223 total cpu time spent up to now is 136.8 secs Computing kpt #: 224 total cpu time spent up to now is 137.4 secs Computing kpt #: 225 total cpu time spent up to now is 138.1 secs Computing kpt #: 226 total cpu time spent up to now is 138.8 secs Computing kpt #: 227 total cpu time spent up to now is 139.5 secs Computing kpt #: 228 total cpu time spent up to now is 140.2 secs Computing kpt #: 229 total cpu time spent up to now is 140.9 secs Computing kpt #: 230 total cpu time spent up to now is 141.7 secs Computing kpt #: 231 total cpu time spent up to now is 142.4 secs Computing kpt #: 232 total cpu time spent up to now is 143.1 secs Computing kpt #: 233 total cpu time spent up to now is 143.7 secs Computing kpt #: 234 total cpu time spent up to now is 144.2 secs Computing kpt #: 235 total cpu time spent up to now is 144.8 secs Computing kpt #: 236 total cpu time spent up to now is 145.3 secs Computing kpt #: 237 total cpu time spent up to now is 146.0 secs Computing kpt #: 238 total cpu time spent up to now is 146.6 secs Computing kpt #: 239 total cpu time spent up to now is 147.2 secs Computing kpt #: 240 total cpu time spent up to now is 147.7 secs Computing kpt #: 241 total cpu time spent up to now is 148.3 secs Computing kpt #: 242 total cpu time spent up to now is 148.8 secs Computing kpt #: 243 total cpu time spent up to now is 149.4 secs Computing kpt #: 244 total cpu time spent up to now is 149.9 secs Computing kpt #: 245 total cpu time spent up to now is 150.4 secs Computing kpt #: 246 total cpu time spent up to now is 151.0 secs Computing kpt #: 247 total cpu time spent up to now is 151.5 secs Computing kpt #: 248 total cpu time spent up to now is 152.1 secs Computing kpt #: 249 total cpu time spent up to now is 152.6 secs Computing kpt #: 250 total cpu time spent up to now is 153.2 secs Computing kpt #: 251 total cpu time spent up to now is 153.7 secs Computing kpt #: 252 total cpu time spent up to now is 154.3 secs Computing kpt #: 253 total cpu time spent up to now is 154.8 secs Computing kpt #: 254 total cpu time spent up to now is 155.4 secs Computing kpt #: 255 total cpu time spent up to now is 156.0 secs Computing kpt #: 256 total cpu time spent up to now is 156.5 secs Computing kpt #: 257 total cpu time spent up to now is 157.1 secs Computing kpt #: 258 total cpu time spent up to now is 157.6 secs Computing kpt #: 259 total cpu time spent up to now is 158.2 secs Computing kpt #: 260 total cpu time spent up to now is 158.7 secs Computing kpt #: 261 total cpu time spent up to now is 159.3 secs Computing kpt #: 262 total cpu time spent up to now is 159.8 secs Computing kpt #: 263 total cpu time spent up to now is 160.4 secs Computing kpt #: 264 total cpu time spent up to now is 160.9 secs Computing kpt #: 265 total cpu time spent up to now is 161.5 secs Computing kpt #: 266 total cpu time spent up to now is 162.2 secs Computing kpt #: 267 total cpu time spent up to now is 162.8 secs Computing kpt #: 268 total cpu time spent up to now is 163.5 secs Computing kpt #: 269 total cpu time spent up to now is 164.2 secs Computing kpt #: 270 total cpu time spent up to now is 164.8 secs Computing kpt #: 271 total cpu time spent up to now is 165.5 secs Computing kpt #: 272 total cpu time spent up to now is 166.1 secs Computing kpt #: 273 total cpu time spent up to now is 166.8 secs Computing kpt #: 274 total cpu time spent up to now is 167.4 secs Computing kpt #: 275 total cpu time spent up to now is 168.0 secs Computing kpt #: 276 total cpu time spent up to now is 168.6 secs Computing kpt #: 277 total cpu time spent up to now is 169.1 secs Computing kpt #: 278 total cpu time spent up to now is 169.7 secs Computing kpt #: 279 total cpu time spent up to now is 170.3 secs Computing kpt #: 280 total cpu time spent up to now is 170.9 secs Computing kpt #: 281 total cpu time spent up to now is 171.4 secs Computing kpt #: 282 total cpu time spent up to now is 172.0 secs Computing kpt #: 283 total cpu time spent up to now is 172.5 secs Computing kpt #: 284 total cpu time spent up to now is 173.1 secs Computing kpt #: 285 total cpu time spent up to now is 173.6 secs Computing kpt #: 286 total cpu time spent up to now is 174.1 secs Computing kpt #: 287 total cpu time spent up to now is 174.7 secs Computing kpt #: 288 total cpu time spent up to now is 175.2 secs Computing kpt #: 289 total cpu time spent up to now is 175.7 secs Computing kpt #: 290 total cpu time spent up to now is 176.2 secs Computing kpt #: 291 total cpu time spent up to now is 176.8 secs Computing kpt #: 292 total cpu time spent up to now is 177.3 secs Computing kpt #: 293 total cpu time spent up to now is 177.8 secs Computing kpt #: 294 total cpu time spent up to now is 178.4 secs Computing kpt #: 295 total cpu time spent up to now is 178.9 secs Computing kpt #: 296 total cpu time spent up to now is 179.4 secs Computing kpt #: 297 total cpu time spent up to now is 179.9 secs Computing kpt #: 298 total cpu time spent up to now is 180.5 secs Computing kpt #: 299 total cpu time spent up to now is 181.0 secs Computing kpt #: 300 total cpu time spent up to now is 181.5 secs Computing kpt #: 301 total cpu time spent up to now is 182.1 secs Computing kpt #: 302 total cpu time spent up to now is 182.6 secs Computing kpt #: 303 total cpu time spent up to now is 183.1 secs Computing kpt #: 304 total cpu time spent up to now is 183.7 secs Computing kpt #: 305 total cpu time spent up to now is 184.3 secs Computing kpt #: 306 total cpu time spent up to now is 184.9 secs ethr = 2.08E-08, avg # of iterations = 20.1 total cpu time spent up to now is 184.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5111 PWs) bands (ev): -22.3230 -22.3230 -22.1547 -22.1547 -20.2394 -20.2394 -20.1921 -20.1921 -18.9933 -18.9933 -18.9931 -18.9931 -7.2072 -7.2072 -6.8276 -6.8276 -6.4320 -6.4320 -6.2010 -6.2010 -6.0356 -6.0356 -5.8153 -5.8153 -4.5042 -4.5042 -4.2049 -4.2049 -0.9193 -0.9193 -0.8593 -0.8593 -0.8588 -0.8588 -0.5287 -0.5287 -0.0476 -0.0476 -0.0083 -0.0083 -0.0072 -0.0072 0.0101 0.0101 0.0224 0.0224 0.0663 0.0663 6.9492 6.9492 9.4475 9.4475 10.1214 10.1214 10.3741 10.3741 11.1677 11.1677 k = 0.0000 0.0000 0.0174 ( 5099 PWs) bands (ev): -22.3229 -22.3229 -22.1548 -22.1548 -20.2395 -20.2395 -20.1922 -20.1922 -18.9933 -18.9933 -18.9930 -18.9930 -7.2071 -7.2071 -6.8277 -6.8277 -6.4318 -6.4318 -6.2008 -6.2008 -6.0358 -6.0358 -5.8153 -5.8153 -4.5037 -4.5037 -4.2051 -4.2051 -0.9189 -0.9189 -0.8589 -0.8589 -0.8582 -0.8582 -0.5289 -0.5289 -0.0485 -0.0485 -0.0113 -0.0113 -0.0051 -0.0051 0.0100 0.0100 0.0222 0.0222 0.0663 0.0663 6.9521 6.9521 9.4483 9.4483 10.1225 10.1225 10.3754 10.3754 11.1668 11.1668 k = 0.0000 0.0000 0.0349 ( 5103 PWs) bands (ev): -22.3226 -22.3226 -22.1549 -22.1549 -20.2396 -20.2396 -20.1925 -20.1925 -18.9933 -18.9933 -18.9929 -18.9929 -7.2067 -7.2067 -6.8281 -6.8281 -6.4314 -6.4314 -6.2002 -6.2002 -6.0366 -6.0366 -5.8152 -5.8152 -4.5023 -4.5023 -4.2059 -4.2059 -0.9177 -0.9177 -0.8582 -0.8582 -0.8559 -0.8559 -0.5294 -0.5294 -0.0514 -0.0514 -0.0159 -0.0159 -0.0032 -0.0032 0.0098 0.0098 0.0216 0.0216 0.0660 0.0660 6.9608 6.9608 9.4509 9.4509 10.1257 10.1257 10.3792 10.3792 11.1609 11.1609 k = 0.0000 0.0000 0.0523 ( 5107 PWs) bands (ev): -22.3221 -22.3221 -22.1550 -22.1550 -20.2398 -20.2398 -20.1930 -20.1930 -18.9933 -18.9933 -18.9926 -18.9926 -7.2061 -7.2061 -6.8288 -6.8288 -6.4306 -6.4306 -6.1991 -6.1991 -6.0378 -6.0378 -5.8151 -5.8151 -4.5000 -4.5000 -4.2071 -4.2071 -0.9159 -0.9159 -0.8571 -0.8571 -0.8519 -0.8519 -0.5304 -0.5304 -0.0561 -0.0561 -0.0217 -0.0217 -0.0021 -0.0021 0.0095 0.0095 0.0206 0.0206 0.0655 0.0655 6.9752 6.9752 9.4551 9.4551 10.1310 10.1310 10.3856 10.3856 11.1495 11.1495 k = 0.0000 0.0000 0.0698 ( 5111 PWs) bands (ev): -22.3215 -22.3215 -22.1552 -22.1552 -20.2402 -20.2402 -20.1936 -20.1936 -18.9934 -18.9934 -18.9923 -18.9923 -7.2053 -7.2053 -6.8297 -6.8297 -6.4296 -6.4296 -6.1976 -6.1976 -6.0395 -6.0395 -5.8149 -5.8149 -4.4968 -4.4968 -4.2088 -4.2088 -0.9132 -0.9132 -0.8556 -0.8556 -0.8463 -0.8463 -0.5318 -0.5318 -0.0627 -0.0627 -0.0286 -0.0286 -0.0018 -0.0018 0.0091 0.0091 0.0195 0.0195 0.0649 0.0649 6.9953 6.9953 9.4609 9.4609 10.1385 10.1385 10.3946 10.3946 11.1335 11.1335 k = 0.0000 0.0000 0.0872 ( 5111 PWs) bands (ev): -22.3207 -22.3207 -22.1554 -22.1554 -20.2406 -20.2406 -20.1944 -20.1944 -18.9935 -18.9935 -18.9919 -18.9919 -7.2043 -7.2043 -6.8308 -6.8308 -6.4283 -6.4283 -6.1956 -6.1956 -6.0417 -6.0417 -5.8146 -5.8146 -4.4927 -4.4927 -4.2109 -4.2109 -0.9100 -0.9100 -0.8537 -0.8537 -0.8393 -0.8393 -0.5335 -0.5335 -0.0714 -0.0714 -0.0362 -0.0362 -0.0029 -0.0029 0.0090 0.0090 0.0184 0.0184 0.0643 0.0643 7.0210 7.0210 9.4681 9.4681 10.1481 10.1481 10.4062 10.4062 11.1132 11.1132 k = 0.0000 0.0000 0.1046 ( 5111 PWs) bands (ev): -22.3197 -22.3197 -22.1557 -22.1557 -20.2411 -20.2411 -20.1954 -20.1954 -18.9936 -18.9936 -18.9914 -18.9914 -7.2030 -7.2030 -6.8322 -6.8322 -6.4269 -6.4269 -6.1931 -6.1931 -6.0443 -6.0443 -5.8143 -5.8143 -4.4878 -4.4878 -4.2134 -4.2134 -0.9060 -0.9060 -0.8513 -0.8513 -0.8310 -0.8310 -0.5356 -0.5356 -0.0824 -0.0824 -0.0441 -0.0441 -0.0053 -0.0053 0.0087 0.0087 0.0173 0.0173 0.0636 0.0636 7.0522 7.0522 9.4768 9.4768 10.1596 10.1596 10.4204 10.4204 11.0888 11.0888 k = 0.0000 0.0000 0.1221 ( 5117 PWs) bands (ev): -22.3185 -22.3185 -22.1561 -22.1561 -20.2417 -20.2417 -20.1966 -20.1966 -18.9937 -18.9937 -18.9908 -18.9908 -7.2016 -7.2016 -6.8339 -6.8339 -6.4253 -6.4253 -6.1901 -6.1901 -6.0473 -6.0473 -5.8139 -5.8139 -4.4822 -4.4822 -4.2163 -4.2163 -0.9015 -0.9015 -0.8486 -0.8486 -0.8214 -0.8214 -0.5380 -0.5380 -0.0956 -0.0956 -0.0520 -0.0520 -0.0091 -0.0091 0.0083 0.0083 0.0165 0.0165 0.0629 0.0629 7.0888 7.0888 9.4868 9.4868 10.1732 10.1732 10.4371 10.4371 11.0607 11.0607 k = 0.0000 0.0000 0.1395 ( 5117 PWs) bands (ev): -22.3172 -22.3172 -22.1565 -22.1565 -20.2423 -20.2423 -20.1979 -20.1979 -18.9938 -18.9938 -18.9902 -18.9902 -7.2000 -7.2000 -6.8358 -6.8358 -6.4235 -6.4235 -6.1865 -6.1865 -6.0507 -6.0507 -5.8134 -5.8134 -4.4759 -4.4759 -4.2193 -4.2193 -0.8964 -0.8964 -0.8454 -0.8454 -0.8109 -0.8109 -0.5407 -0.5407 -0.1110 -0.1110 -0.0597 -0.0597 -0.0139 -0.0139 0.0074 0.0074 0.0158 0.0158 0.0622 0.0622 7.1306 7.1306 9.4978 9.4978 10.1886 10.1886 10.4564 10.4564 11.0292 11.0292 k = 0.0000 0.0000 0.1570 ( 5113 PWs) bands (ev): -22.3157 -22.3157 -22.1569 -22.1569 -20.2431 -20.2431 -20.1994 -20.1994 -18.9939 -18.9939 -18.9894 -18.9894 -7.1982 -7.1982 -6.8379 -6.8379 -6.4217 -6.4217 -6.1824 -6.1824 -6.0545 -6.0545 -5.8128 -5.8128 -4.4690 -4.4690 -4.2226 -4.2226 -0.8909 -0.8909 -0.8418 -0.8418 -0.7996 -0.7996 -0.5437 -0.5437 -0.1282 -0.1282 -0.0673 -0.0673 -0.0198 -0.0198 0.0062 0.0062 0.0151 0.0151 0.0617 0.0617 7.1774 7.1774 9.5099 9.5099 10.2058 10.2058 10.4784 10.4784 10.9945 10.9945 k = 0.0000 0.0000 0.1744 ( 5102 PWs) bands (ev): -22.3141 -22.3141 -22.1574 -22.1574 -20.2439 -20.2439 -20.2010 -20.2010 -18.9941 -18.9941 -18.9886 -18.9886 -7.1962 -7.1962 -6.8402 -6.8402 -6.4199 -6.4199 -6.1777 -6.1777 -6.0586 -6.0586 -5.8121 -5.8121 -4.4617 -4.4617 -4.2259 -4.2259 -0.8848 -0.8848 -0.8379 -0.8379 -0.7879 -0.7879 -0.5469 -0.5469 -0.1466 -0.1466 -0.0748 -0.0748 -0.0266 -0.0266 0.0047 0.0047 0.0141 0.0141 0.0612 0.0612 7.2291 7.2291 9.5228 9.5228 10.2245 10.2245 10.5029 10.5029 10.9572 10.9572 k = 0.0000 0.0000 0.1919 ( 5094 PWs) bands (ev): -22.3124 -22.3124 -22.1579 -22.1579 -20.2448 -20.2448 -20.2027 -20.2027 -18.9943 -18.9943 -18.9878 -18.9878 -7.1941 -7.1941 -6.8428 -6.8428 -6.4181 -6.4181 -6.1723 -6.1723 -6.0630 -6.0630 -5.8113 -5.8113 -4.4539 -4.4539 -4.2293 -4.2293 -0.8782 -0.8782 -0.8335 -0.8335 -0.7762 -0.7762 -0.5503 -0.5503 -0.1657 -0.1657 -0.0822 -0.0822 -0.0342 -0.0342 0.0029 0.0029 0.0129 0.0129 0.0609 0.0609 7.2854 7.2854 9.5364 9.5364 10.2445 10.2445 10.5301 10.5301 10.9175 10.9175 k = 0.0000 0.0000 0.2093 ( 5094 PWs) bands (ev): -22.3105 -22.3105 -22.1584 -22.1584 -20.2458 -20.2458 -20.2045 -20.2045 -18.9944 -18.9944 -18.9869 -18.9869 -7.1919 -7.1919 -6.8456 -6.8456 -6.4164 -6.4164 -6.1664 -6.1664 -6.0676 -6.0676 -5.8103 -5.8103 -4.4458 -4.4458 -4.2327 -4.2327 -0.8713 -0.8713 -0.8289 -0.8289 -0.7648 -0.7648 -0.5539 -0.5539 -0.1851 -0.1851 -0.0897 -0.0897 -0.0425 -0.0425 0.0009 0.0009 0.0113 0.0113 0.0606 0.0606 7.3462 7.3462 9.5506 9.5506 10.2656 10.2656 10.5598 10.5598 10.8758 10.8758 k = 0.0000 0.0000 0.2267 ( 5100 PWs) bands (ev): -22.3086 -22.3086 -22.1590 -22.1590 -20.2468 -20.2468 -20.2064 -20.2064 -18.9946 -18.9946 -18.9860 -18.9860 -7.1896 -7.1896 -6.8485 -6.8485 -6.4147 -6.4147 -6.1599 -6.1599 -6.0724 -6.0724 -5.8093 -5.8093 -4.4375 -4.4375 -4.2359 -4.2359 -0.8640 -0.8640 -0.8238 -0.8238 -0.7544 -0.7544 -0.5576 -0.5576 -0.2040 -0.2040 -0.0972 -0.0972 -0.0515 -0.0515 -0.0012 -0.0012 0.0093 0.0093 0.0605 0.0605 7.4113 7.4113 9.5651 9.5651 10.2874 10.2874 10.5922 10.5922 10.8325 10.8325 k = 0.0000 0.0000 0.2442 ( 5096 PWs) bands (ev): -22.3065 -22.3065 -22.1596 -22.1596 -20.2479 -20.2479 -20.2084 -20.2084 -18.9948 -18.9948 -18.9850 -18.9850 -7.1871 -7.1871 -6.8517 -6.8517 -6.4132 -6.4132 -6.1528 -6.1528 -6.0774 -6.0774 -5.8082 -5.8082 -4.4290 -4.4290 -4.2388 -4.2388 -0.8564 -0.8564 -0.8185 -0.8185 -0.7455 -0.7455 -0.5614 -0.5614 -0.2218 -0.2218 -0.1047 -0.1047 -0.0610 -0.0610 -0.0036 -0.0036 0.0069 0.0069 0.0604 0.0604 7.4804 7.4804 9.5800 9.5800 10.3095 10.3095 10.6272 10.6272 10.7881 10.7881 k = 0.0000 0.0000 0.2616 ( 5100 PWs) bands (ev): -22.3044 -22.3044 -22.1603 -22.1603 -20.2490 -20.2490 -20.2105 -20.2105 -18.9950 -18.9950 -18.9839 -18.9839 -7.1847 -7.1847 -6.8550 -6.8550 -6.4119 -6.4119 -6.1451 -6.1451 -6.0824 -6.0824 -5.8070 -5.8070 -4.4207 -4.4207 -4.2415 -4.2415 -0.8485 -0.8485 -0.8129 -0.8129 -0.7387 -0.7387 -0.5653 -0.5653 -0.2377 -0.2377 -0.1124 -0.1124 -0.0710 -0.0710 -0.0061 -0.0061 0.0042 0.0042 0.0603 0.0603 7.5533 7.5533 9.5951 9.5951 10.3314 10.3314 10.6647 10.6647 10.7429 10.7429 k = 0.0000 0.0000 0.2791 ( 5098 PWs) bands (ev): -22.3022 -22.3022 -22.1609 -22.1609 -20.2502 -20.2502 -20.2126 -20.2126 -18.9952 -18.9952 -18.9829 -18.9829 -7.1821 -7.1821 -6.8584 -6.8584 -6.4107 -6.4107 -6.1369 -6.1369 -6.0875 -6.0875 -5.8057 -5.8057 -4.4124 -4.4124 -4.2437 -4.2437 -0.8405 -0.8405 -0.8070 -0.8070 -0.7346 -0.7346 -0.5692 -0.5692 -0.2510 -0.2510 -0.1200 -0.1200 -0.0815 -0.0815 -0.0087 -0.0087 0.0012 0.0012 0.0603 0.0603 7.6297 7.6297 9.6102 9.6102 10.3524 10.3524 10.6972 10.6972 10.7053 10.7053 k = 0.0000 0.0000 0.2965 ( 5090 PWs) bands (ev): -22.2999 -22.2999 -22.1616 -22.1616 -20.2513 -20.2513 -20.2148 -20.2148 -18.9954 -18.9954 -18.9818 -18.9818 -7.1796 -7.1796 -6.8620 -6.8620 -6.4097 -6.4097 -6.1284 -6.1284 -6.0925 -6.0925 -5.8044 -5.8044 -4.4045 -4.4045 -4.2453 -4.2453 -0.8323 -0.8323 -0.8008 -0.8008 -0.7338 -0.7338 -0.5731 -0.5731 -0.2610 -0.2610 -0.1277 -0.1277 -0.0923 -0.0923 -0.0114 -0.0114 -0.0020 -0.0020 0.0602 0.0602 7.7093 7.7093 9.6254 9.6254 10.3716 10.3716 10.6525 10.6525 10.7478 10.7478 k = 0.0000 0.0000 0.3139 ( 5086 PWs) bands (ev): -22.2976 -22.2976 -22.1622 -22.1622 -20.2526 -20.2526 -20.2170 -20.2170 -18.9956 -18.9956 -18.9808 -18.9808 -7.1770 -7.1770 -6.8657 -6.8657 -6.4089 -6.4089 -6.1197 -6.1197 -6.0972 -6.0972 -5.8030 -5.8030 -4.3969 -4.3969 -4.2463 -4.2463 -0.8241 -0.8241 -0.7945 -0.7945 -0.7366 -0.7366 -0.5769 -0.5769 -0.2674 -0.2674 -0.1355 -0.1355 -0.1033 -0.1033 -0.0143 -0.0143 -0.0055 -0.0055 0.0601 0.0601 7.7921 7.7921 9.6405 9.6405 10.3878 10.3878 10.6090 10.6090 10.7931 10.7931 k = 0.0000 0.0000 0.3314 ( 5084 PWs) bands (ev): -22.2953 -22.2953 -22.1629 -22.1629 -20.2538 -20.2538 -20.2192 -20.2192 -18.9958 -18.9958 -18.9797 -18.9797 -7.1744 -7.1744 -6.8695 -6.8695 -6.4082 -6.4082 -6.1123 -6.1123 -6.1002 -6.1002 -5.8016 -5.8016 -4.3898 -4.3898 -4.2467 -4.2467 -0.8160 -0.8160 -0.7880 -0.7880 -0.7431 -0.7431 -0.5808 -0.5808 -0.2697 -0.2697 -0.1434 -0.1434 -0.1144 -0.1144 -0.0173 -0.0173 -0.0092 -0.0092 0.0600 0.0600 7.8775 7.8775 9.6554 9.6554 10.3990 10.3990 10.5684 10.5684 10.8410 10.8410 k = 0.0000 0.0000 0.3488 ( 5082 PWs) bands (ev): -22.2929 -22.2929 -22.1636 -22.1636 -20.2550 -20.2550 -20.2213 -20.2213 -18.9960 -18.9960 -18.9786 -18.9786 -7.1718 -7.1718 -6.8733 -6.8733 -6.4077 -6.4077 -6.1115 -6.1115 -6.0963 -6.0963 -5.8001 -5.8001 -4.3834 -4.3834 -4.2463 -4.2463 -0.8084 -0.8084 -0.7814 -0.7814 -0.7528 -0.7528 -0.5845 -0.5845 -0.2682 -0.2682 -0.1513 -0.1513 -0.1256 -0.1256 -0.0203 -0.0203 -0.0130 -0.0130 0.0598 0.0598 7.9655 7.9655 9.6702 9.6702 10.4019 10.4019 10.5339 10.5339 10.8915 10.8915 k = 0.0000 0.0000 0.3663 ( 5070 PWs) bands (ev): -22.2906 -22.2906 -22.1642 -22.1642 -20.2563 -20.2563 -20.2235 -20.2235 -18.9962 -18.9962 -18.9776 -18.9776 -7.1693 -7.1693 -6.8772 -6.8772 -6.4073 -6.4073 -6.1152 -6.1152 -6.0875 -6.0875 -5.7986 -5.7986 -4.3776 -4.3776 -4.2451 -4.2451 -0.8021 -0.8021 -0.7753 -0.7753 -0.7641 -0.7641 -0.5881 -0.5881 -0.2632 -0.2632 -0.1594 -0.1594 -0.1366 -0.1366 -0.0234 -0.0234 -0.0169 -0.0169 0.0596 0.0596 8.0557 8.0557 9.6847 9.6847 10.3916 10.3916 10.5097 10.5097 10.9444 10.9444 k = 0.0000 0.0000 0.3837 ( 5066 PWs) bands (ev): -22.2883 -22.2883 -22.1649 -22.1649 -20.2575 -20.2575 -20.2256 -20.2256 -18.9964 -18.9964 -18.9765 -18.9765 -7.1668 -7.1668 -6.8810 -6.8810 -6.4070 -6.4070 -6.1197 -6.1197 -6.0777 -6.0777 -5.7971 -5.7971 -4.3725 -4.3725 -4.2431 -4.2431 -0.8009 -0.8009 -0.7760 -0.7760 -0.7662 -0.7662 -0.5915 -0.5915 -0.2551 -0.2551 -0.1677 -0.1677 -0.1474 -0.1474 -0.0266 -0.0266 -0.0208 -0.0208 0.0593 0.0593 8.1478 8.1478 9.6990 9.6990 10.3673 10.3673 10.4964 10.4964 10.9998 10.9998 k = 0.0000 0.0000 0.4012 ( 5078 PWs) bands (ev): -22.2861 -22.2861 -22.1656 -22.1656 -20.2588 -20.2588 -20.2277 -20.2277 -18.9967 -18.9967 -18.9755 -18.9755 -7.1644 -7.1644 -6.8849 -6.8849 -6.4068 -6.4068 -6.1243 -6.1243 -6.0677 -6.0677 -5.7956 -5.7956 -4.3682 -4.3682 -4.2404 -4.2404 -0.8117 -0.8117 -0.7756 -0.7756 -0.7598 -0.7598 -0.5946 -0.5946 -0.2447 -0.2447 -0.1762 -0.1762 -0.1577 -0.1577 -0.0298 -0.0298 -0.0248 -0.0248 0.0590 0.0590 8.2416 8.2416 9.7130 9.7130 10.3340 10.3340 10.4885 10.4885 11.0575 11.0575 k = 0.0000 0.0000 0.4186 ( 5086 PWs) bands (ev): -22.2839 -22.2839 -22.1662 -22.1662 -20.2600 -20.2600 -20.2297 -20.2297 -18.9969 -18.9969 -18.9746 -18.9746 -7.1621 -7.1621 -6.8886 -6.8886 -6.4068 -6.4068 -6.1287 -6.1287 -6.0577 -6.0577 -5.7942 -5.7942 -4.3646 -4.3646 -4.2371 -4.2371 -0.8297 -0.8297 -0.7705 -0.7705 -0.7528 -0.7528 -0.5973 -0.5973 -0.2326 -0.2326 -0.1849 -0.1849 -0.1674 -0.1674 -0.0330 -0.0330 -0.0287 -0.0287 0.0586 0.0586 8.3368 8.3368 9.7268 9.7268 10.2970 10.2970 10.4805 10.4805 10.9950 10.9950 k = 0.0000 0.0000 0.4360 ( 5086 PWs) bands (ev): -22.2818 -22.2818 -22.1668 -22.1668 -20.2611 -20.2611 -20.2316 -20.2316 -18.9971 -18.9971 -18.9736 -18.9736 -7.1599 -7.1599 -6.8923 -6.8923 -6.4068 -6.4068 -6.1330 -6.1330 -6.0478 -6.0478 -5.7927 -5.7927 -4.3616 -4.3616 -4.2332 -4.2332 -0.8499 -0.8499 -0.7646 -0.7646 -0.7457 -0.7457 -0.5997 -0.5997 -0.2195 -0.2195 -0.1938 -0.1938 -0.1764 -0.1764 -0.0362 -0.0362 -0.0325 -0.0325 0.0583 0.0583 8.4330 8.4330 9.7402 9.7402 10.2589 10.2589 10.4693 10.4693 10.9140 10.9140 k = 0.0000 0.0000 0.4535 ( 5076 PWs) bands (ev): -22.2798 -22.2798 -22.1674 -22.1674 -20.2623 -20.2623 -20.2334 -20.2334 -18.9972 -18.9972 -18.9727 -18.9727 -7.1578 -7.1578 -6.8959 -6.8959 -6.4068 -6.4068 -6.1370 -6.1370 -6.0382 -6.0382 -5.7914 -5.7914 -4.3591 -4.3591 -4.2290 -4.2290 -0.8709 -0.8709 -0.7588 -0.7588 -0.7385 -0.7385 -0.6016 -0.6016 -0.2082 -0.2082 -0.2004 -0.2004 -0.1844 -0.1844 -0.0393 -0.0393 -0.0363 -0.0363 0.0579 0.0579 8.5300 8.5300 9.7534 9.7534 10.2211 10.2211 10.4536 10.4536 10.8388 10.8388 k = 0.0000 0.0000 0.4709 ( 5082 PWs) bands (ev): -22.2779 -22.2779 -22.1679 -22.1679 -20.2633 -20.2633 -20.2352 -20.2352 -18.9974 -18.9974 -18.9719 -18.9719 -7.1558 -7.1558 -6.8993 -6.8993 -6.4069 -6.4069 -6.1408 -6.1408 -6.0289 -6.0289 -5.7901 -5.7901 -4.3570 -4.3570 -4.2246 -4.2246 -0.8919 -0.8919 -0.7535 -0.7535 -0.7313 -0.7313 -0.6031 -0.6031 -0.2136 -0.2136 -0.1940 -0.1940 -0.1881 -0.1881 -0.0423 -0.0423 -0.0399 -0.0399 0.0575 0.0575 8.6273 8.6273 9.7663 9.7663 10.1841 10.1841 10.4325 10.4325 10.7694 10.7694 k = 0.0000 0.0000 0.4884 ( 5088 PWs) bands (ev): -22.2761 -22.2761 -22.1684 -22.1684 -20.2644 -20.2644 -20.2368 -20.2368 -18.9976 -18.9976 -18.9711 -18.9711 -7.1539 -7.1539 -6.9026 -6.9026 -6.4071 -6.4071 -6.1444 -6.1444 -6.0201 -6.0201 -5.7888 -5.7888 -4.3554 -4.3554 -4.2201 -4.2201 -0.9123 -0.9123 -0.7488 -0.7488 -0.7243 -0.7243 -0.6042 -0.6042 -0.2223 -0.2223 -0.1997 -0.1997 -0.1756 -0.1756 -0.0453 -0.0453 -0.0433 -0.0433 0.0571 0.0571 8.7247 8.7247 9.7789 9.7789 10.1484 10.1484 10.4058 10.4058 10.7058 10.7058 k = 0.0000 0.0000 0.5058 ( 5084 PWs) bands (ev): -22.2744 -22.2744 -22.1689 -22.1689 -20.2653 -20.2653 -20.2383 -20.2383 -18.9977 -18.9977 -18.9704 -18.9704 -7.1522 -7.1522 -6.9057 -6.9057 -6.4072 -6.4072 -6.1477 -6.1477 -6.0118 -6.0118 -5.7877 -5.7877 -4.3541 -4.3541 -4.2156 -4.2156 -0.9319 -0.9319 -0.7447 -0.7447 -0.7175 -0.7175 -0.6048 -0.6048 -0.2308 -0.2308 -0.2060 -0.2060 -0.1621 -0.1621 -0.0481 -0.0481 -0.0464 -0.0464 0.0567 0.0567 8.8216 8.8216 9.7913 9.7913 10.1141 10.1141 10.3736 10.3736 10.6482 10.6482 k = 0.0000 0.0000 0.5232 ( 5084 PWs) bands (ev): -22.2729 -22.2729 -22.1693 -22.1693 -20.2662 -20.2662 -20.2396 -20.2396 -18.9979 -18.9979 -18.9697 -18.9697 -7.1506 -7.1506 -6.9085 -6.9085 -6.4074 -6.4074 -6.1506 -6.1506 -6.0041 -6.0041 -5.7866 -5.7866 -4.3530 -4.3530 -4.2113 -4.2113 -0.9501 -0.9501 -0.7413 -0.7413 -0.7111 -0.7111 -0.6050 -0.6050 -0.2388 -0.2388 -0.2119 -0.2119 -0.1494 -0.1494 -0.0507 -0.0507 -0.0493 -0.0493 0.0563 0.0563 8.9176 8.9176 9.8035 9.8035 10.0811 10.0811 10.3363 10.3363 10.5965 10.5965 k = 0.0000 0.0000 0.5407 ( 5092 PWs) bands (ev): -22.2715 -22.2715 -22.1697 -22.1697 -20.2670 -20.2670 -20.2409 -20.2409 -18.9980 -18.9980 -18.9691 -18.9691 -7.1492 -7.1492 -6.9110 -6.9110 -6.4075 -6.4075 -6.1533 -6.1533 -5.9971 -5.9971 -5.7857 -5.7857 -4.3521 -4.3521 -4.2073 -4.2073 -0.9669 -0.9669 -0.7384 -0.7384 -0.7051 -0.7051 -0.6049 -0.6049 -0.2462 -0.2462 -0.2173 -0.2173 -0.1375 -0.1375 -0.0532 -0.0532 -0.0519 -0.0519 0.0559 0.0559 9.0122 9.0122 9.8155 9.8155 10.0494 10.0494 10.2944 10.2944 10.5508 10.5508 k = 0.0000 0.0000 0.5581 ( 5104 PWs) bands (ev): -22.2703 -22.2703 -22.1701 -22.1701 -20.2677 -20.2677 -20.2419 -20.2419 -18.9981 -18.9981 -18.9686 -18.9686 -7.1480 -7.1480 -6.9133 -6.9133 -6.4076 -6.4076 -6.1556 -6.1556 -5.9909 -5.9909 -5.7848 -5.7848 -4.3513 -4.3513 -4.2037 -4.2037 -0.9818 -0.9818 -0.7361 -0.7361 -0.6997 -0.6997 -0.6046 -0.6046 -0.2529 -0.2529 -0.2220 -0.2220 -0.1270 -0.1270 -0.0555 -0.0555 -0.0541 -0.0541 0.0556 0.0556 9.1045 9.1045 9.8274 9.8274 10.0187 10.0187 10.2493 10.2493 10.5111 10.5111 k = 0.0000 0.0000 0.5756 ( 5110 PWs) bands (ev): -22.2692 -22.2692 -22.1704 -22.1704 -20.2683 -20.2683 -20.2429 -20.2429 -18.9982 -18.9982 -18.9682 -18.9682 -7.1469 -7.1469 -6.9153 -6.9153 -6.4078 -6.4078 -6.1576 -6.1576 -5.9856 -5.9856 -5.7841 -5.7841 -4.3507 -4.3507 -4.2005 -4.2005 -0.9948 -0.9948 -0.7343 -0.7343 -0.6950 -0.6950 -0.6041 -0.6041 -0.2586 -0.2586 -0.2262 -0.2262 -0.1177 -0.1177 -0.0575 -0.0575 -0.0561 -0.0561 0.0553 0.0553 9.1936 9.1936 9.8390 9.8390 9.9885 9.9885 10.2024 10.2024 10.4775 10.4775 k = 0.0000 0.0000 0.5930 ( 5106 PWs) bands (ev): -22.2684 -22.2684 -22.1706 -22.1706 -20.2688 -20.2688 -20.2436 -20.2436 -18.9983 -18.9983 -18.9678 -18.9678 -7.1460 -7.1460 -6.9169 -6.9169 -6.4079 -6.4079 -6.1592 -6.1592 -5.9811 -5.9811 -5.7835 -5.7835 -4.3503 -4.3503 -4.1978 -4.1978 -1.0056 -1.0056 -0.7329 -0.7329 -0.6909 -0.6909 -0.6035 -0.6035 -0.2634 -0.2634 -0.2297 -0.2297 -0.1099 -0.1099 -0.0592 -0.0592 -0.0577 -0.0577 0.0551 0.0551 9.2779 9.2779 9.8502 9.8502 9.9582 9.9582 10.1562 10.1562 10.4500 10.4500 k = 0.0000 0.0000 0.6104 ( 5112 PWs) bands (ev): -22.2677 -22.2677 -22.1708 -22.1708 -20.2692 -20.2692 -20.2442 -20.2442 -18.9983 -18.9983 -18.9675 -18.9675 -7.1453 -7.1453 -6.9182 -6.9182 -6.4080 -6.4080 -6.1605 -6.1605 -5.9776 -5.9776 -5.7830 -5.7830 -4.3499 -4.3499 -4.1956 -4.1956 -1.0141 -1.0141 -0.7319 -0.7319 -0.6877 -0.6877 -0.6030 -0.6030 -0.2672 -0.2672 -0.2324 -0.2324 -0.1037 -0.1037 -0.0605 -0.0605 -0.0589 -0.0589 0.0549 0.0549 9.3550 9.3550 9.8604 9.8604 9.9277 9.9277 10.1141 10.1141 10.4285 10.4285 k = 0.0000 0.0000 0.6279 ( 5106 PWs) bands (ev): -22.2672 -22.2672 -22.1710 -22.1710 -20.2694 -20.2694 -20.2446 -20.2446 -18.9984 -18.9984 -18.9673 -18.9673 -7.1448 -7.1448 -6.9191 -6.9191 -6.4080 -6.4080 -6.1614 -6.1614 -5.9751 -5.9751 -5.7827 -5.7827 -4.3496 -4.3496 -4.1941 -4.1941 -1.0203 -1.0203 -0.7312 -0.7312 -0.6854 -0.6854 -0.6025 -0.6025 -0.2700 -0.2700 -0.2344 -0.2344 -0.0993 -0.0993 -0.0615 -0.0615 -0.0598 -0.0598 0.0548 0.0548 9.4204 9.4204 9.8678 9.8678 9.8993 9.8993 10.0800 10.0800 10.4132 10.4132 k = 0.0000 0.0000 0.6453 ( 5110 PWs) bands (ev): -22.2669 -22.2669 -22.1710 -22.1710 -20.2696 -20.2696 -20.2449 -20.2449 -18.9984 -18.9984 -18.9672 -18.9672 -7.1445 -7.1445 -6.9197 -6.9197 -6.4081 -6.4081 -6.1619 -6.1619 -5.9735 -5.9735 -5.7825 -5.7825 -4.3495 -4.3495 -4.1931 -4.1931 -1.0240 -1.0240 -0.7308 -0.7308 -0.6840 -0.6840 -0.6023 -0.6023 -0.2717 -0.2717 -0.2356 -0.2356 -0.0966 -0.0966 -0.0621 -0.0621 -0.0603 -0.0603 0.0547 0.0547 9.4669 9.4669 9.8640 9.8640 9.8850 9.8850 10.0577 10.0577 10.4040 10.4040 k = 0.0000 0.0000 0.6628 ( 5114 PWs) bands (ev): -22.2668 -22.2668 -22.1711 -22.1711 -20.2697 -20.2697 -20.2450 -20.2450 -18.9984 -18.9984 -18.9671 -18.9671 -7.1444 -7.1444 -6.9198 -6.9198 -6.4081 -6.4081 -6.1621 -6.1621 -5.9730 -5.9730 -5.7824 -5.7824 -4.3495 -4.3495 -4.1928 -4.1928 -1.0253 -1.0253 -0.7306 -0.7306 -0.6835 -0.6835 -0.6021 -0.6021 -0.2722 -0.2722 -0.2360 -0.2360 -0.0957 -0.0957 -0.0623 -0.0623 -0.0605 -0.0605 0.0546 0.0546 9.4843 9.4843 9.8568 9.8568 9.8847 9.8847 10.0500 10.0500 10.4010 10.4010 k = 0.0000 0.0000 0.6628 ( 5114 PWs) bands (ev): -22.2668 -22.2668 -22.1711 -22.1711 -20.2697 -20.2697 -20.2450 -20.2450 -18.9984 -18.9984 -18.9671 -18.9671 -7.1444 -7.1444 -6.9198 -6.9198 -6.4081 -6.4081 -6.1621 -6.1621 -5.9730 -5.9730 -5.7824 -5.7824 -4.3495 -4.3495 -4.1928 -4.1928 -1.0253 -1.0253 -0.7306 -0.7306 -0.6835 -0.6835 -0.6021 -0.6021 -0.2722 -0.2722 -0.2360 -0.2360 -0.0957 -0.0957 -0.0623 -0.0623 -0.0605 -0.0605 0.0546 0.0546 9.4843 9.4843 9.8568 9.8568 9.8847 9.8847 10.0500 10.0500 10.4010 10.4010 k =-0.0132 0.0115 0.6628 ( 5114 PWs) bands (ev): -22.2667 -22.2667 -22.1711 -22.1711 -20.2696 -20.2696 -20.2451 -20.2451 -18.9984 -18.9984 -18.9672 -18.9672 -7.1444 -7.1444 -6.9198 -6.9198 -6.4078 -6.4078 -6.1622 -6.1622 -5.9730 -5.9730 -5.7824 -5.7824 -4.3494 -4.3494 -4.1928 -4.1928 -1.0253 -1.0253 -0.7313 -0.7313 -0.6831 -0.6831 -0.6027 -0.6027 -0.2716 -0.2716 -0.2355 -0.2355 -0.0956 -0.0956 -0.0625 -0.0625 -0.0611 -0.0611 0.0541 0.0541 9.4874 9.4874 9.8571 9.8571 9.8854 9.8854 10.0497 10.0497 10.3994 10.3994 k =-0.0264 0.0230 0.6628 ( 5114 PWs) bands (ev): -22.2666 -22.2666 -22.1712 -22.1712 -20.2693 -20.2693 -20.2454 -20.2454 -18.9984 -18.9984 -18.9674 -18.9674 -7.1441 -7.1441 -6.9199 -6.9199 -6.4068 -6.4068 -6.1625 -6.1625 -5.9729 -5.9729 -5.7823 -5.7823 -4.3493 -4.3493 -4.1926 -4.1926 -1.0254 -1.0254 -0.7331 -0.7331 -0.6822 -0.6822 -0.6042 -0.6042 -0.2698 -0.2698 -0.2340 -0.2340 -0.0952 -0.0952 -0.0635 -0.0635 -0.0622 -0.0622 0.0523 0.0523 9.4966 9.4966 9.8578 9.8578 9.8877 9.8877 10.0490 10.0490 10.3950 10.3950 k =-0.0396 0.0345 0.6628 ( 5114 PWs) bands (ev): -22.2663 -22.2663 -22.1713 -22.1713 -20.2688 -20.2688 -20.2459 -20.2459 -18.9984 -18.9984 -18.9677 -18.9677 -7.1437 -7.1437 -6.9199 -6.9199 -6.4053 -6.4053 -6.1629 -6.1629 -5.9728 -5.9728 -5.7822 -5.7822 -4.3491 -4.3491 -4.1923 -4.1923 -1.0255 -1.0255 -0.7363 -0.7363 -0.6806 -0.6806 -0.6066 -0.6066 -0.2669 -0.2669 -0.2314 -0.2314 -0.0946 -0.0946 -0.0664 -0.0664 -0.0629 -0.0629 0.0494 0.0494 9.5120 9.5120 9.8583 9.8583 9.8915 9.8915 10.0484 10.0484 10.3875 10.3875 k =-0.0528 0.0460 0.6628 ( 5114 PWs) bands (ev): -22.2659 -22.2659 -22.1715 -22.1715 -20.2681 -20.2681 -20.2466 -20.2466 -18.9985 -18.9985 -18.9681 -18.9681 -7.1432 -7.1432 -6.9199 -6.9199 -6.4031 -6.4031 -6.1635 -6.1635 -5.9726 -5.9726 -5.7820 -5.7820 -4.3490 -4.3490 -4.1919 -4.1919 -1.0256 -1.0256 -0.7409 -0.7409 -0.6785 -0.6785 -0.6097 -0.6097 -0.2629 -0.2629 -0.2279 -0.2279 -0.0938 -0.0938 -0.0706 -0.0706 -0.0636 -0.0636 0.0455 0.0455 9.5333 9.5333 9.8577 9.8577 9.8969 9.8969 10.0490 10.0490 10.3773 10.3773 k =-0.0660 0.0575 0.6628 ( 5110 PWs) bands (ev): -22.2654 -22.2654 -22.1718 -22.1718 -20.2672 -20.2672 -20.2475 -20.2475 -18.9985 -18.9985 -18.9687 -18.9687 -7.1425 -7.1425 -6.9199 -6.9199 -6.4004 -6.4004 -6.1642 -6.1642 -5.9723 -5.9723 -5.7818 -5.7818 -4.3490 -4.3490 -4.1911 -4.1911 -1.0256 -1.0256 -0.7470 -0.7470 -0.6759 -0.6759 -0.6131 -0.6131 -0.2581 -0.2581 -0.2236 -0.2236 -0.0928 -0.0928 -0.0757 -0.0757 -0.0645 -0.0645 0.0405 0.0405 9.5606 9.5606 9.8550 9.8550 9.9039 9.9039 10.0518 10.0518 10.3644 10.3644 k =-0.0793 0.0690 0.6628 ( 5122 PWs) bands (ev): -22.2648 -22.2648 -22.1721 -22.1721 -20.2662 -20.2662 -20.2486 -20.2486 -18.9985 -18.9985 -18.9694 -18.9694 -7.1417 -7.1417 -6.9199 -6.9199 -6.3971 -6.3971 -6.1651 -6.1651 -5.9720 -5.9720 -5.7815 -5.7815 -4.3493 -4.3493 -4.1899 -4.1899 -1.0256 -1.0256 -0.7547 -0.7547 -0.6730 -0.6730 -0.6166 -0.6166 -0.2526 -0.2526 -0.2186 -0.2186 -0.0918 -0.0918 -0.0815 -0.0815 -0.0656 -0.0656 0.0346 0.0346 9.5935 9.5935 9.8488 9.8488 9.9127 9.9127 10.0580 10.0580 10.3489 10.3489 k =-0.0925 0.0805 0.6628 ( 5122 PWs) bands (ev): -22.2641 -22.2641 -22.1725 -22.1725 -20.2650 -20.2650 -20.2499 -20.2499 -18.9985 -18.9985 -18.9702 -18.9702 -7.1407 -7.1407 -6.9200 -6.9200 -6.3932 -6.3932 -6.1661 -6.1661 -5.9716 -5.9716 -5.7811 -5.7811 -4.3498 -4.3498 -4.1883 -4.1883 -1.0255 -1.0255 -0.7640 -0.7640 -0.6699 -0.6699 -0.6199 -0.6199 -0.2465 -0.2465 -0.2129 -0.2129 -0.0923 -0.0923 -0.0864 -0.0864 -0.0669 -0.0669 0.0278 0.0278 9.6319 9.6319 9.8384 9.8384 9.9235 9.9235 10.0687 10.0687 10.3311 10.3311 k =-0.1057 0.0919 0.6628 ( 5122 PWs) bands (ev): -22.2633 -22.2633 -22.1729 -22.1729 -20.2636 -20.2636 -20.2512 -20.2512 -18.9986 -18.9986 -18.9711 -18.9711 -7.1396 -7.1396 -6.9201 -6.9201 -6.3888 -6.3888 -6.1673 -6.1673 -5.9710 -5.9710 -5.7807 -5.7807 -4.3507 -4.3507 -4.1861 -4.1861 -1.0253 -1.0253 -0.7750 -0.7750 -0.6668 -0.6668 -0.6228 -0.6228 -0.2400 -0.2400 -0.2068 -0.2068 -0.0977 -0.0977 -0.0867 -0.0867 -0.0685 -0.0685 0.0205 0.0205 9.6750 9.6750 9.8234 9.8234 9.9366 9.9366 10.0841 10.0841 10.3111 10.3111 k =-0.1189 0.1034 0.6628 ( 5120 PWs) bands (ev): -22.2624 -22.2624 -22.1733 -22.1733 -20.2623 -20.2623 -20.2526 -20.2526 -18.9986 -18.9986 -18.9721 -18.9721 -7.1384 -7.1384 -6.9202 -6.9202 -6.3840 -6.3840 -6.1685 -6.1685 -5.9704 -5.9704 -5.7802 -5.7802 -4.3522 -4.3522 -4.1831 -4.1831 -1.0248 -1.0248 -0.7876 -0.7876 -0.6639 -0.6639 -0.6253 -0.6253 -0.2334 -0.2334 -0.2005 -0.2005 -0.1051 -0.1051 -0.0853 -0.0853 -0.0703 -0.0703 0.0127 0.0127 9.7219 9.7219 9.8044 9.8044 9.9527 9.9527 10.1043 10.1043 10.2892 10.2892 k =-0.1321 0.1149 0.6628 ( 5116 PWs) bands (ev): -22.2614 -22.2614 -22.1738 -22.1738 -20.2611 -20.2611 -20.2539 -20.2539 -18.9987 -18.9987 -18.9732 -18.9732 -7.1371 -7.1371 -6.9203 -6.9203 -6.3787 -6.3787 -6.1699 -6.1699 -5.9696 -5.9696 -5.7797 -5.7797 -4.3542 -4.3542 -4.1794 -4.1794 -1.0241 -1.0241 -0.8016 -0.8016 -0.6614 -0.6614 -0.6272 -0.6272 -0.2267 -0.2267 -0.1940 -0.1940 -0.1129 -0.1129 -0.0837 -0.0837 -0.0722 -0.0722 0.0048 0.0048 9.7658 9.7658 9.7869 9.7869 9.9732 9.9732 10.1288 10.1288 10.2655 10.2655 k =-0.1453 0.1264 0.6628 ( 5122 PWs) bands (ev): -22.2603 -22.2603 -22.1744 -22.1744 -20.2605 -20.2605 -20.2544 -20.2544 -18.9988 -18.9988 -18.9743 -18.9743 -7.1356 -7.1356 -6.9206 -6.9206 -6.3730 -6.3730 -6.1714 -6.1714 -5.9687 -5.9687 -5.7791 -5.7791 -4.3569 -4.3569 -4.1749 -4.1749 -1.0231 -1.0231 -0.8170 -0.8170 -0.6596 -0.6596 -0.6285 -0.6285 -0.2202 -0.2202 -0.1876 -0.1876 -0.1206 -0.1206 -0.0826 -0.0826 -0.0738 -0.0738 -0.0029 -0.0029 9.7511 9.7511 9.8247 9.8247 10.0004 10.0004 10.1571 10.1571 10.2402 10.2402 k =-0.1585 0.1379 0.6628 ( 5104 PWs) bands (ev): -22.2592 -22.2592 -22.1749 -22.1749 -20.2612 -20.2612 -20.2538 -20.2538 -18.9989 -18.9989 -18.9756 -18.9756 -7.1340 -7.1340 -6.9209 -6.9209 -6.3670 -6.3670 -6.1730 -6.1730 -5.9676 -5.9676 -5.7784 -5.7784 -4.3603 -4.3603 -4.1696 -4.1696 -1.0217 -1.0217 -0.8334 -0.8334 -0.6586 -0.6586 -0.6294 -0.6294 -0.2142 -0.2142 -0.1815 -0.1815 -0.1278 -0.1278 -0.0831 -0.0831 -0.0743 -0.0743 -0.0098 -0.0098 9.7218 9.7218 9.8703 9.8703 10.0381 10.0381 10.1889 10.1889 10.2136 10.2136 k =-0.1717 0.1494 0.6628 ( 5100 PWs) bands (ev): -22.2580 -22.2580 -22.1755 -22.1755 -20.2628 -20.2628 -20.2522 -20.2522 -18.9990 -18.9990 -18.9769 -18.9769 -7.1324 -7.1324 -6.9212 -6.9212 -6.3607 -6.3607 -6.1747 -6.1747 -5.9663 -5.9663 -5.7776 -5.7776 -4.3643 -4.3643 -4.1634 -4.1634 -1.0199 -1.0199 -0.8508 -0.8508 -0.6586 -0.6586 -0.6298 -0.6298 -0.2091 -0.2091 -0.1760 -0.1760 -0.1345 -0.1345 -0.0854 -0.0854 -0.0734 -0.0734 -0.0154 -0.0154 9.6896 9.6896 9.9092 9.9092 10.0895 10.0895 10.1857 10.1857 10.2238 10.2238 k =-0.1849 0.1609 0.6628 ( 5104 PWs) bands (ev): -22.2568 -22.2568 -22.1762 -22.1762 -20.2648 -20.2648 -20.2502 -20.2502 -18.9992 -18.9992 -18.9783 -18.9783 -7.1306 -7.1306 -6.9217 -6.9217 -6.3541 -6.3541 -6.1765 -6.1765 -5.9647 -5.9647 -5.7767 -5.7767 -4.3689 -4.3689 -4.1565 -4.1565 -1.0176 -1.0176 -0.8689 -0.8689 -0.6598 -0.6598 -0.6298 -0.6298 -0.2056 -0.2056 -0.1710 -0.1710 -0.1402 -0.1402 -0.0884 -0.0884 -0.0721 -0.0721 -0.0193 -0.0193 9.6553 9.6553 9.9404 9.9404 10.1548 10.1548 10.1567 10.1567 10.2614 10.2614 k =-0.1981 0.1724 0.6628 ( 5108 PWs) bands (ev): -22.2555 -22.2555 -22.1768 -22.1768 -20.2670 -20.2670 -20.2480 -20.2480 -18.9993 -18.9993 -18.9797 -18.9797 -7.1287 -7.1287 -6.9223 -6.9223 -6.3473 -6.3473 -6.1783 -6.1783 -5.9629 -5.9629 -5.7758 -5.7758 -4.3740 -4.3740 -4.1489 -4.1489 -1.0149 -1.0149 -0.8877 -0.8877 -0.6623 -0.6623 -0.6297 -0.6297 -0.2043 -0.2043 -0.1665 -0.1665 -0.1448 -0.1448 -0.0912 -0.0912 -0.0712 -0.0712 -0.0210 -0.0210 9.6194 9.6194 9.9663 9.9663 10.1269 10.1269 10.2314 10.2314 10.3015 10.3015 k =-0.2113 0.1839 0.6628 ( 5102 PWs) bands (ev): -22.2541 -22.2541 -22.1775 -22.1775 -20.2693 -20.2693 -20.2456 -20.2456 -18.9995 -18.9995 -18.9812 -18.9812 -7.1267 -7.1267 -6.9230 -6.9230 -6.3405 -6.3405 -6.1801 -6.1801 -5.9608 -5.9608 -5.7749 -5.7749 -4.3796 -4.3796 -4.1406 -4.1406 -1.0117 -1.0117 -0.9068 -0.9068 -0.6661 -0.6661 -0.6294 -0.6294 -0.2062 -0.2062 -0.1622 -0.1622 -0.1481 -0.1481 -0.0933 -0.0933 -0.0707 -0.0707 -0.0204 -0.0204 9.5824 9.5824 9.9891 9.9891 10.0963 10.0963 10.3168 10.3168 10.3439 10.3439 k =-0.2245 0.1954 0.6628 ( 5114 PWs) bands (ev): -22.2528 -22.2528 -22.1782 -22.1782 -20.2718 -20.2718 -20.2431 -20.2431 -18.9997 -18.9997 -18.9827 -18.9827 -7.1246 -7.1246 -6.9238 -6.9238 -6.3335 -6.3335 -6.1820 -6.1820 -5.9584 -5.9584 -5.7738 -5.7738 -4.3857 -4.3857 -4.1319 -4.1319 -1.0080 -1.0080 -0.9262 -0.9262 -0.6714 -0.6714 -0.6291 -0.6291 -0.2119 -0.2119 -0.1578 -0.1578 -0.1500 -0.1500 -0.0942 -0.0942 -0.0709 -0.0709 -0.0177 -0.0177 9.5446 9.5446 10.0101 10.0101 10.0650 10.0650 10.3880 10.3880 10.4097 10.4097 k =-0.2378 0.2069 0.6628 ( 5102 PWs) bands (ev): -22.2514 -22.2514 -22.1789 -22.1789 -20.2742 -20.2742 -20.2406 -20.2406 -19.0000 -19.0000 -18.9843 -18.9843 -7.1224 -7.1224 -6.9247 -6.9247 -6.3266 -6.3266 -6.1840 -6.1840 -5.9557 -5.9557 -5.7728 -5.7728 -4.3920 -4.3920 -4.1227 -4.1227 -1.0038 -1.0038 -0.9457 -0.9457 -0.6782 -0.6782 -0.6286 -0.6286 -0.2210 -0.2210 -0.1532 -0.1532 -0.1505 -0.1505 -0.0939 -0.0939 -0.0714 -0.0714 -0.0132 -0.0132 9.5063 9.5063 10.0302 10.0302 10.0333 10.0333 10.4342 10.4342 10.5082 10.5082 k =-0.2510 0.2184 0.6628 ( 5098 PWs) bands (ev): -22.2500 -22.2500 -22.1796 -22.1796 -20.2767 -20.2767 -20.2380 -20.2380 -19.0002 -19.0002 -18.9858 -18.9858 -7.1201 -7.1201 -6.9258 -6.9258 -6.3197 -6.3197 -6.1860 -6.1860 -5.9527 -5.9527 -5.7717 -5.7717 -4.3986 -4.3986 -4.1132 -4.1132 -0.9994 -0.9994 -0.9647 -0.9647 -0.6863 -0.6863 -0.6281 -0.6281 -0.2332 -0.2332 -0.1495 -0.1495 -0.1485 -0.1485 -0.0930 -0.0930 -0.0720 -0.0720 -0.0074 -0.0074 9.4679 9.4679 10.0012 10.0012 10.0498 10.0498 10.4819 10.4819 10.6121 10.6121 k =-0.2642 0.2299 0.6628 ( 5102 PWs) bands (ev): -22.2486 -22.2486 -22.1803 -22.1803 -20.2792 -20.2792 -20.2354 -20.2354 -19.0005 -19.0005 -18.9873 -18.9873 -7.1178 -7.1178 -6.9270 -6.9270 -6.3129 -6.3129 -6.1880 -6.1880 -5.9493 -5.9493 -5.7705 -5.7705 -4.4053 -4.4053 -4.1034 -4.1034 -0.9968 -0.9968 -0.9812 -0.9812 -0.6958 -0.6958 -0.6275 -0.6275 -0.2477 -0.2477 -0.1472 -0.1472 -0.1438 -0.1438 -0.0917 -0.0917 -0.0725 -0.0725 -0.0006 -0.0006 9.4297 9.4297 9.9690 9.9690 10.0689 10.0689 10.5310 10.5310 10.7207 10.7207 k =-0.2774 0.2414 0.6628 ( 5100 PWs) bands (ev): -22.2472 -22.2472 -22.1810 -22.1810 -20.2816 -20.2816 -20.2329 -20.2329 -19.0008 -19.0008 -18.9889 -18.9889 -7.1154 -7.1154 -6.9283 -6.9283 -6.3063 -6.3063 -6.1900 -6.1900 -5.9457 -5.9457 -5.7694 -5.7694 -4.4122 -4.4122 -4.0936 -4.0936 -1.0076 -1.0076 -0.9836 -0.9836 -0.7064 -0.7064 -0.6268 -0.6268 -0.2640 -0.2640 -0.1437 -0.1437 -0.1391 -0.1391 -0.0906 -0.0906 -0.0726 -0.0726 0.0069 0.0069 9.3920 9.3920 9.9367 9.9367 10.0877 10.0877 10.5813 10.5813 10.8334 10.8334 k =-0.2906 0.2528 0.6628 ( 5094 PWs) bands (ev): -22.2459 -22.2459 -22.1817 -22.1817 -20.2841 -20.2841 -20.2303 -20.2303 -19.0011 -19.0011 -18.9904 -18.9904 -7.1130 -7.1130 -6.9298 -6.9298 -6.2999 -6.2999 -6.1921 -6.1921 -5.9417 -5.9417 -5.7682 -5.7682 -4.4190 -4.4190 -4.0837 -4.0837 -1.0253 -1.0253 -0.9780 -0.9780 -0.7180 -0.7180 -0.6261 -0.6261 -0.2815 -0.2815 -0.1392 -0.1392 -0.1347 -0.1347 -0.0899 -0.0899 -0.0722 -0.0722 0.0149 0.0149 9.3550 9.3550 9.9045 9.9045 10.1061 10.1061 10.6327 10.6327 10.9498 10.9498 k =-0.3038 0.2643 0.6628 ( 5088 PWs) bands (ev): -22.2445 -22.2445 -22.1823 -22.1823 -20.2864 -20.2864 -20.2278 -20.2278 -19.0014 -19.0014 -18.9919 -18.9919 -7.1105 -7.1105 -6.9314 -6.9314 -6.2938 -6.2938 -6.1941 -6.1941 -5.9374 -5.9374 -5.7671 -5.7671 -4.4257 -4.4257 -4.0739 -4.0739 -1.0435 -1.0435 -0.9710 -0.9710 -0.7302 -0.7302 -0.6253 -0.6253 -0.2999 -0.2999 -0.1339 -0.1339 -0.1304 -0.1304 -0.0897 -0.0897 -0.0711 -0.0711 0.0230 0.0230 9.3191 9.3191 9.8726 9.8726 10.1242 10.1242 10.6851 10.6851 10.9077 10.9077 k =-0.3170 0.2758 0.6628 ( 5088 PWs) bands (ev): -22.2432 -22.2432 -22.1830 -22.1830 -20.2887 -20.2887 -20.2253 -20.2253 -19.0017 -19.0017 -18.9933 -18.9933 -7.1080 -7.1080 -6.9330 -6.9330 -6.2879 -6.2879 -6.1963 -6.1963 -5.9329 -5.9329 -5.7660 -5.7660 -4.4323 -4.4323 -4.0643 -4.0643 -1.0613 -1.0613 -0.9632 -0.9632 -0.7430 -0.7430 -0.6246 -0.6246 -0.3189 -0.3189 -0.1280 -0.1280 -0.1264 -0.1264 -0.0901 -0.0901 -0.0695 -0.0695 0.0312 0.0312 9.2844 9.2844 9.8412 9.8412 10.1418 10.1418 10.7380 10.7380 10.8527 10.8527 k =-0.3302 0.2873 0.6628 ( 5088 PWs) bands (ev): -22.2420 -22.2420 -22.1836 -22.1836 -20.2909 -20.2909 -20.2230 -20.2230 -19.0020 -19.0020 -18.9947 -18.9947 -7.1055 -7.1055 -6.9348 -6.9348 -6.2823 -6.2823 -6.1984 -6.1984 -5.9283 -5.9283 -5.7648 -5.7648 -4.4388 -4.4388 -4.0549 -4.0549 -1.0784 -1.0784 -0.9549 -0.9549 -0.7559 -0.7559 -0.6238 -0.6238 -0.3382 -0.3382 -0.1229 -0.1229 -0.1215 -0.1215 -0.0908 -0.0908 -0.0674 -0.0674 0.0394 0.0394 9.2512 9.2512 9.8105 9.8105 10.1589 10.1589 10.7886 10.7886 10.8044 10.8044 k =-0.3302 0.2873 0.6628 ( 5088 PWs) bands (ev): -22.2420 -22.2420 -22.1836 -22.1836 -20.2909 -20.2909 -20.2230 -20.2230 -19.0020 -19.0020 -18.9947 -18.9947 -7.1055 -7.1055 -6.9348 -6.9348 -6.2823 -6.2823 -6.1984 -6.1984 -5.9283 -5.9283 -5.7648 -5.7648 -4.4388 -4.4388 -4.0549 -4.0549 -1.0784 -1.0784 -0.9549 -0.9549 -0.7559 -0.7559 -0.6238 -0.6238 -0.3382 -0.3382 -0.1229 -0.1229 -0.1215 -0.1215 -0.0908 -0.0908 -0.0674 -0.0674 0.0394 0.0394 9.2512 9.2512 9.8105 9.8105 10.1589 10.1589 10.7886 10.7886 10.8044 10.8044 k =-0.3387 0.2947 0.6515 ( 5092 PWs) bands (ev): -22.2412 -22.2412 -22.1840 -22.1840 -20.2923 -20.2923 -20.2215 -20.2215 -19.0022 -19.0022 -18.9955 -18.9955 -7.1039 -7.1039 -6.9359 -6.9359 -6.2789 -6.2789 -6.1998 -6.1998 -5.9254 -5.9254 -5.7642 -5.7642 -4.4427 -4.4427 -4.0493 -4.0493 -1.0888 -1.0888 -0.9491 -0.9491 -0.7641 -0.7641 -0.6232 -0.6232 -0.3504 -0.3504 -0.1209 -0.1209 -0.1175 -0.1175 -0.0911 -0.0911 -0.0661 -0.0661 0.0443 0.0443 9.2308 9.2308 9.7921 9.7921 10.1692 10.1692 10.7700 10.7700 10.8273 10.8273 k =-0.3472 0.3021 0.6403 ( 5085 PWs) bands (ev): -22.2405 -22.2405 -22.1843 -22.1843 -20.2935 -20.2935 -20.2202 -20.2202 -19.0025 -19.0025 -18.9963 -18.9963 -7.1025 -7.1025 -6.9369 -6.9369 -6.2758 -6.2758 -6.2010 -6.2010 -5.9228 -5.9228 -5.7636 -5.7636 -4.4462 -4.4462 -4.0441 -4.0441 -1.0983 -1.0983 -0.9430 -0.9430 -0.7720 -0.7720 -0.6227 -0.6227 -0.3619 -0.3619 -0.1197 -0.1197 -0.1136 -0.1136 -0.0908 -0.0908 -0.0651 -0.0651 0.0488 0.0488 9.2116 9.2116 9.7757 9.7757 10.1784 10.1784 10.7430 10.7430 10.8612 10.8612 k =-0.3557 0.3095 0.6290 ( 5089 PWs) bands (ev): -22.2400 -22.2400 -22.1846 -22.1846 -20.2945 -20.2945 -20.2190 -20.2190 -19.0028 -19.0028 -18.9969 -18.9969 -7.1012 -7.1012 -6.9378 -6.9378 -6.2729 -6.2729 -6.2021 -6.2021 -5.9205 -5.9205 -5.7630 -5.7630 -4.4495 -4.4495 -4.0396 -4.0396 -1.1068 -1.1068 -0.9367 -0.9367 -0.7796 -0.7796 -0.6222 -0.6222 -0.3726 -0.3726 -0.1191 -0.1191 -0.1098 -0.1098 -0.0901 -0.0901 -0.0642 -0.0642 0.0528 0.0528 9.1939 9.1939 9.7613 9.7613 10.1866 10.1866 10.7189 10.7189 10.8943 10.8943 k =-0.3642 0.3169 0.6178 ( 5098 PWs) bands (ev): -22.2394 -22.2394 -22.1849 -22.1849 -20.2955 -20.2955 -20.2179 -20.2179 -19.0031 -19.0031 -18.9973 -18.9973 -7.1000 -7.1000 -6.9386 -6.9386 -6.2704 -6.2704 -6.2030 -6.2030 -5.9185 -5.9185 -5.7626 -5.7626 -4.4523 -4.4523 -4.0356 -4.0356 -1.1143 -1.1143 -0.9303 -0.9303 -0.7867 -0.7867 -0.6217 -0.6217 -0.3824 -0.3824 -0.1190 -0.1190 -0.1064 -0.1064 -0.0892 -0.0892 -0.0636 -0.0636 0.0562 0.0562 9.1780 9.1780 9.7489 9.7489 10.1937 10.1937 10.6977 10.6977 10.9257 10.9257 k =-0.3727 0.3243 0.6065 ( 5104 PWs) bands (ev): -22.2390 -22.2390 -22.1851 -22.1851 -20.2963 -20.2963 -20.2170 -20.2170 -19.0034 -19.0034 -18.9977 -18.9977 -7.0990 -7.0990 -6.9393 -6.9393 -6.2682 -6.2682 -6.2038 -6.2038 -5.9168 -5.9168 -5.7622 -5.7622 -4.4547 -4.4547 -4.0322 -4.0322 -1.1207 -1.1207 -0.9242 -0.9242 -0.7933 -0.7933 -0.6213 -0.6213 -0.3909 -0.3909 -0.1192 -0.1192 -0.1032 -0.1032 -0.0880 -0.0880 -0.0633 -0.0633 0.0592 0.0592 9.1643 9.1643 9.7384 9.7384 10.1997 10.1997 10.6797 10.6797 10.9547 10.9547 k =-0.3812 0.3316 0.5953 ( 5095 PWs) bands (ev): -22.2387 -22.2387 -22.1853 -22.1853 -20.2969 -20.2969 -20.2162 -20.2162 -19.0037 -19.0037 -18.9980 -18.9980 -7.0982 -7.0982 -6.9399 -6.9399 -6.2664 -6.2664 -6.2045 -6.2045 -5.9155 -5.9155 -5.7619 -5.7619 -4.4568 -4.4568 -4.0294 -4.0294 -1.1260 -1.1260 -0.9184 -0.9184 -0.7992 -0.7992 -0.6209 -0.6209 -0.3981 -0.3981 -0.1195 -0.1195 -0.1004 -0.1004 -0.0870 -0.0870 -0.0631 -0.0631 0.0616 0.0616 9.1528 9.1528 9.7299 9.7299 10.2047 10.2047 10.6649 10.6649 10.9803 10.9803 k =-0.3896 0.3390 0.5840 ( 5098 PWs) bands (ev): -22.2384 -22.2384 -22.1854 -22.1854 -20.2974 -20.2974 -20.2156 -20.2156 -19.0039 -19.0039 -18.9982 -18.9982 -7.0975 -7.0975 -6.9404 -6.9404 -6.2650 -6.2650 -6.2051 -6.2051 -5.9144 -5.9144 -5.7616 -5.7616 -4.4584 -4.4584 -4.0272 -4.0272 -1.1301 -1.1301 -0.9134 -0.9134 -0.8042 -0.8042 -0.6206 -0.6206 -0.4039 -0.4039 -0.1198 -0.1198 -0.0981 -0.0981 -0.0860 -0.0860 -0.0631 -0.0631 0.0635 0.0635 9.1437 9.1437 9.7233 9.7233 10.2085 10.2085 10.6533 10.6533 11.0015 11.0015 k =-0.3981 0.3464 0.5728 ( 5090 PWs) bands (ev): -22.2382 -22.2382 -22.1855 -22.1855 -20.2978 -20.2978 -20.2151 -20.2151 -19.0041 -19.0041 -18.9984 -18.9984 -7.0970 -7.0970 -6.9407 -6.9407 -6.2639 -6.2639 -6.2055 -6.2055 -5.9136 -5.9136 -5.7614 -5.7614 -4.4595 -4.4595 -4.0256 -4.0256 -1.1331 -1.1331 -0.9094 -0.9094 -0.8081 -0.8081 -0.6203 -0.6203 -0.4081 -0.4081 -0.1201 -0.1201 -0.0963 -0.0963 -0.0853 -0.0853 -0.0632 -0.0632 0.0649 0.0649 9.1371 9.1371 9.7185 9.7185 10.2112 10.2112 10.6450 10.6450 11.0175 11.0175 k =-0.4066 0.3538 0.5615 ( 5094 PWs) bands (ev): -22.2381 -22.2381 -22.1856 -22.1856 -20.2980 -20.2980 -20.2149 -20.2149 -19.0042 -19.0042 -18.9985 -18.9985 -7.0967 -7.0967 -6.9409 -6.9409 -6.2633 -6.2633 -6.2057 -6.2057 -5.9132 -5.9132 -5.7613 -5.7613 -4.4602 -4.4602 -4.0247 -4.0247 -1.1349 -1.1349 -0.9069 -0.9069 -0.8106 -0.8106 -0.6202 -0.6202 -0.4107 -0.4107 -0.1203 -0.1203 -0.0952 -0.0952 -0.0848 -0.0848 -0.0633 -0.0633 0.0657 0.0657 9.1332 9.1332 9.7157 9.7157 10.2128 10.2128 10.6400 10.6400 11.0274 11.0274 k =-0.4151 0.3612 0.5502 ( 5094 PWs) bands (ev): -22.2380 -22.2380 -22.1856 -22.1856 -20.2981 -20.2981 -20.2148 -20.2148 -19.0042 -19.0042 -18.9985 -18.9985 -7.0966 -7.0966 -6.9410 -6.9410 -6.2631 -6.2631 -6.2058 -6.2058 -5.9130 -5.9130 -5.7613 -5.7613 -4.4604 -4.4604 -4.0244 -4.0244 -1.1355 -1.1355 -0.9060 -0.9060 -0.8115 -0.8115 -0.6201 -0.6201 -0.4116 -0.4116 -0.1204 -0.1204 -0.0948 -0.0948 -0.0847 -0.0847 -0.0634 -0.0634 0.0659 0.0659 9.1318 9.1318 9.7148 9.7148 10.2134 10.2134 10.6383 10.6383 11.0308 11.0308 k =-0.4151 0.3612 0.5502 ( 5094 PWs) bands (ev): -22.2380 -22.2380 -22.1856 -22.1856 -20.2981 -20.2981 -20.2148 -20.2148 -19.0042 -19.0042 -18.9985 -18.9985 -7.0966 -7.0966 -6.9410 -6.9410 -6.2631 -6.2631 -6.2058 -6.2058 -5.9130 -5.9130 -5.7613 -5.7613 -4.4604 -4.4604 -4.0244 -4.0244 -1.1355 -1.1355 -0.9060 -0.9060 -0.8115 -0.8115 -0.6201 -0.6201 -0.4116 -0.4116 -0.1204 -0.1204 -0.0948 -0.0948 -0.0847 -0.0847 -0.0634 -0.0634 0.0659 0.0659 9.1318 9.1318 9.7148 9.7148 10.2134 10.2134 10.6383 10.6383 11.0308 11.0308 k =-0.4059 0.3532 0.5380 ( 5100 PWs) bands (ev): -22.2391 -22.2391 -22.1851 -22.1851 -20.2963 -20.2963 -20.2166 -20.2166 -19.0041 -19.0041 -18.9973 -18.9973 -7.0990 -7.0990 -6.9390 -6.9390 -6.2673 -6.2673 -6.2031 -6.2031 -5.9189 -5.9189 -5.7623 -5.7623 -4.4553 -4.4553 -4.0325 -4.0325 -1.1221 -1.1221 -0.9118 -0.9118 -0.8009 -0.8009 -0.6205 -0.6205 -0.3939 -0.3939 -0.1246 -0.1246 -0.0996 -0.0996 -0.0818 -0.0818 -0.0677 -0.0677 0.0587 0.0587 9.1511 9.1511 9.7448 9.7448 10.1983 10.1983 10.6710 10.6710 10.9909 10.9909 k =-0.3967 0.3451 0.5258 ( 5102 PWs) bands (ev): -22.2404 -22.2404 -22.1845 -22.1845 -20.2943 -20.2943 -20.2184 -20.2184 -19.0040 -19.0040 -18.9960 -18.9960 -7.1015 -7.1015 -6.9368 -6.9368 -6.2715 -6.2715 -6.2003 -6.2003 -5.9253 -5.9253 -5.7634 -5.7634 -4.4498 -4.4498 -4.0413 -4.0413 -1.1078 -1.1078 -0.9169 -0.9169 -0.7894 -0.7894 -0.6207 -0.6207 -0.3759 -0.3759 -0.1291 -0.1291 -0.1049 -0.1049 -0.0792 -0.0792 -0.0719 -0.0719 0.0510 0.0510 9.1700 9.1700 9.7778 9.7778 10.1820 10.1820 10.7068 10.7068 10.9526 10.9526 k =-0.3874 0.3371 0.5136 ( 5106 PWs) bands (ev): -22.2417 -22.2417 -22.1839 -22.1839 -20.2922 -20.2922 -20.2204 -20.2204 -19.0039 -19.0039 -18.9947 -18.9947 -7.1041 -7.1041 -6.9345 -6.9345 -6.2759 -6.2759 -6.1974 -6.1974 -5.9321 -5.9321 -5.7647 -5.7647 -4.4439 -4.4439 -4.0508 -4.0508 -1.0926 -1.0926 -0.9213 -0.9213 -0.7771 -0.7771 -0.6209 -0.6209 -0.3578 -0.3578 -0.1339 -0.1339 -0.1104 -0.1104 -0.0801 -0.0801 -0.0727 -0.0727 0.0428 0.0428 9.1873 9.1873 9.8138 9.8138 10.1649 10.1649 10.7458 10.7458 10.9165 10.9165 k =-0.3782 0.3291 0.5013 ( 5102 PWs) bands (ev): -22.2431 -22.2431 -22.1833 -22.1833 -20.2899 -20.2899 -20.2224 -20.2224 -19.0038 -19.0038 -18.9933 -18.9933 -7.1067 -7.1067 -6.9321 -6.9321 -6.2804 -6.2804 -6.1945 -6.1945 -5.9393 -5.9393 -5.7660 -5.7660 -4.4378 -4.4378 -4.0609 -4.0609 -1.0767 -1.0767 -0.9247 -0.9247 -0.7641 -0.7641 -0.6209 -0.6209 -0.3400 -0.3400 -0.1389 -0.1389 -0.1160 -0.1160 -0.0852 -0.0852 -0.0697 -0.0697 0.0345 0.0345 9.2021 9.2021 9.8527 9.8527 10.1472 10.1472 10.7877 10.7877 10.8828 10.8828 k =-0.3690 0.3211 0.4891 ( 5102 PWs) bands (ev): -22.2447 -22.2447 -22.1826 -22.1826 -20.2875 -20.2875 -20.2244 -20.2244 -19.0036 -19.0036 -18.9919 -18.9919 -7.1095 -7.1095 -6.9297 -6.9297 -6.2850 -6.2850 -6.1916 -6.1916 -5.9469 -5.9469 -5.7674 -5.7674 -4.4313 -4.4313 -4.0716 -4.0716 -1.0603 -1.0603 -0.9271 -0.9271 -0.7503 -0.7503 -0.6208 -0.6208 -0.3226 -0.3226 -0.1441 -0.1441 -0.1216 -0.1216 -0.0916 -0.0916 -0.0659 -0.0659 0.0260 0.0260 9.2130 9.2130 9.8946 9.8946 10.1291 10.1291 10.8312 10.8312 10.8532 10.8532 k =-0.3598 0.3130 0.4769 ( 5112 PWs) bands (ev): -22.2464 -22.2464 -22.1819 -22.1819 -20.2850 -20.2850 -20.2265 -20.2265 -19.0035 -19.0035 -18.9906 -18.9906 -7.1122 -7.1122 -6.9272 -6.9272 -6.2897 -6.2897 -6.1885 -6.1885 -5.9548 -5.9548 -5.7689 -5.7689 -4.4247 -4.4247 -4.0829 -4.0829 -1.0434 -1.0434 -0.9285 -0.9285 -0.7360 -0.7360 -0.6205 -0.6205 -0.3060 -0.3060 -0.1494 -0.1494 -0.1269 -0.1269 -0.0988 -0.0988 -0.0619 -0.0619 0.0178 0.0178 9.2186 9.2186 9.9393 9.9393 10.1112 10.1112 10.8216 10.8216 10.8824 10.8824 k =-0.3505 0.3050 0.4647 ( 5110 PWs) bands (ev): -22.2481 -22.2481 -22.1811 -22.1811 -20.2823 -20.2823 -20.2285 -20.2285 -19.0033 -19.0033 -18.9892 -18.9892 -7.1151 -7.1151 -6.9246 -6.9246 -6.2944 -6.2944 -6.1853 -6.1853 -5.9630 -5.9630 -5.7704 -5.7704 -4.4178 -4.4178 -4.0947 -4.0947 -1.0262 -1.0262 -0.9287 -0.9287 -0.7212 -0.7212 -0.6200 -0.6200 -0.2904 -0.2904 -0.1548 -0.1548 -0.1316 -0.1316 -0.1068 -0.1068 -0.0578 -0.0578 0.0099 0.0099 9.2172 9.2172 9.9867 9.9867 10.0939 10.0939 10.7963 10.7963 10.9331 10.9331 k =-0.3413 0.2970 0.4524 ( 5112 PWs) bands (ev): -22.2500 -22.2500 -22.1803 -22.1803 -20.2796 -20.2796 -20.2305 -20.2305 -19.0031 -19.0031 -18.9879 -18.9879 -7.1179 -7.1179 -6.9220 -6.9220 -6.2992 -6.2992 -6.1821 -6.1821 -5.9715 -5.9715 -5.7720 -5.7720 -4.4107 -4.4107 -4.1070 -4.1070 -1.0089 -1.0089 -0.9278 -0.9278 -0.7061 -0.7061 -0.6191 -0.6191 -0.2764 -0.2764 -0.1601 -0.1601 -0.1356 -0.1356 -0.1155 -0.1155 -0.0537 -0.0537 0.0027 0.0027 9.2074 9.2074 10.0369 10.0369 10.0773 10.0773 10.7736 10.7736 10.9869 10.9869 k =-0.3321 0.2889 0.4402 ( 5112 PWs) bands (ev): -22.2519 -22.2519 -22.1795 -22.1795 -20.2767 -20.2767 -20.2325 -20.2325 -19.0029 -19.0029 -18.9867 -18.9867 -7.1208 -7.1208 -6.9193 -6.9193 -6.3041 -6.3041 -6.1787 -6.1787 -5.9802 -5.9802 -5.7737 -5.7737 -4.4035 -4.4035 -4.1197 -4.1197 -0.9917 -0.9917 -0.9258 -0.9258 -0.6909 -0.6909 -0.6179 -0.6179 -0.2644 -0.2644 -0.1654 -0.1654 -0.1390 -0.1390 -0.1242 -0.1242 -0.0495 -0.0495 -0.0037 -0.0037 9.1880 9.1880 10.0617 10.0617 10.0895 10.0895 10.7538 10.7538 11.0437 11.0437 k =-0.3229 0.2809 0.4280 ( 5108 PWs) bands (ev): -22.2540 -22.2540 -22.1786 -22.1786 -20.2737 -20.2737 -20.2344 -20.2344 -19.0027 -19.0027 -18.9855 -18.9855 -7.1238 -7.1238 -6.9165 -6.9165 -6.3090 -6.3090 -6.1752 -6.1752 -5.9891 -5.9891 -5.7754 -5.7754 -4.3962 -4.3962 -4.1328 -4.1328 -0.9748 -0.9748 -0.9226 -0.9226 -0.6758 -0.6758 -0.6161 -0.6161 -0.2551 -0.2551 -0.1706 -0.1706 -0.1444 -0.1444 -0.1298 -0.1298 -0.0455 -0.0455 -0.0090 -0.0090 9.1583 9.1583 10.0469 10.0469 10.1445 10.1445 10.7370 10.7370 11.1032 11.1032 k =-0.3136 0.2729 0.4157 ( 5112 PWs) bands (ev): -22.2561 -22.2561 -22.1777 -22.1777 -20.2707 -20.2707 -20.2363 -20.2363 -19.0025 -19.0025 -18.9844 -18.9844 -7.1267 -7.1267 -6.9137 -6.9137 -6.3139 -6.3139 -6.1716 -6.1716 -5.9981 -5.9981 -5.7772 -5.7772 -4.3888 -4.3888 -4.1463 -4.1463 -0.9586 -0.9586 -0.9182 -0.9182 -0.6614 -0.6614 -0.6136 -0.6136 -0.2487 -0.2487 -0.1758 -0.1758 -0.1537 -0.1537 -0.1294 -0.1294 -0.0416 -0.0416 -0.0132 -0.0132 9.1180 9.1180 10.0324 10.0324 10.2016 10.2016 10.7233 10.7233 11.1653 11.1653 k =-0.3044 0.2649 0.4035 ( 5108 PWs) bands (ev): -22.2584 -22.2584 -22.1768 -22.1768 -20.2676 -20.2676 -20.2380 -20.2380 -19.0022 -19.0022 -18.9833 -18.9833 -7.1296 -7.1296 -6.9109 -6.9109 -6.3188 -6.3188 -6.1679 -6.1679 -6.0072 -6.0072 -5.7790 -5.7790 -4.3814 -4.3814 -4.1600 -4.1600 -0.9432 -0.9432 -0.9125 -0.9125 -0.6481 -0.6481 -0.6097 -0.6097 -0.2452 -0.2452 -0.1819 -0.1819 -0.1641 -0.1641 -0.1248 -0.1248 -0.0381 -0.0381 -0.0160 -0.0160 9.0674 9.0674 10.0178 10.0178 10.2606 10.2606 10.7125 10.7125 11.1803 11.1803 k =-0.2952 0.2568 0.3913 ( 5096 PWs) bands (ev): -22.2607 -22.2607 -22.1759 -22.1759 -20.2644 -20.2644 -20.2397 -20.2397 -19.0020 -19.0020 -18.9824 -18.9824 -7.1326 -7.1326 -6.9079 -6.9079 -6.3238 -6.3238 -6.1640 -6.1640 -6.0164 -6.0164 -5.7809 -5.7809 -4.3739 -4.3739 -4.1740 -4.1740 -0.9292 -0.9292 -0.9054 -0.9054 -0.6371 -0.6371 -0.6039 -0.6039 -0.2443 -0.2443 -0.1906 -0.1906 -0.1721 -0.1721 -0.1176 -0.1176 -0.0352 -0.0352 -0.0174 -0.0174 9.0074 9.0074 10.0025 10.0025 10.3209 10.3209 10.7046 10.7046 11.1810 11.1810 k =-0.2860 0.2488 0.3791 ( 5090 PWs) bands (ev): -22.2630 -22.2630 -22.1750 -22.1750 -20.2612 -20.2612 -20.2412 -20.2412 -19.0017 -19.0017 -18.9816 -18.9816 -7.1356 -7.1356 -6.9050 -6.9050 -6.3287 -6.3287 -6.1600 -6.1600 -6.0257 -6.0257 -5.7827 -5.7827 -4.3664 -4.3664 -4.1882 -4.1882 -0.9171 -0.9171 -0.8966 -0.8966 -0.6289 -0.6289 -0.5957 -0.5957 -0.2452 -0.2452 -0.2024 -0.2024 -0.1766 -0.1766 -0.1086 -0.1086 -0.0331 -0.0331 -0.0172 -0.0172 8.9391 8.9391 9.9860 9.9860 10.3822 10.3822 10.6997 10.6997 11.1550 11.1550 k =-0.2767 0.2408 0.3668 ( 5082 PWs) bands (ev): -22.2655 -22.2655 -22.1740 -22.1740 -20.2579 -20.2579 -20.2426 -20.2426 -19.0014 -19.0014 -18.9809 -18.9809 -7.1386 -7.1386 -6.9019 -6.9019 -6.3336 -6.3336 -6.1559 -6.1559 -6.0349 -6.0349 -5.7846 -5.7846 -4.3589 -4.3589 -4.2025 -4.2025 -0.9068 -0.9068 -0.8864 -0.8864 -0.6232 -0.6232 -0.5859 -0.5859 -0.2472 -0.2472 -0.2154 -0.2154 -0.1787 -0.1787 -0.0987 -0.0987 -0.0318 -0.0318 -0.0155 -0.0155 8.8637 8.8637 9.9679 9.9679 10.4436 10.4436 10.6975 10.6975 11.0944 11.0944 k =-0.2675 0.2328 0.3546 ( 5087 PWs) bands (ev): -22.2680 -22.2680 -22.1731 -22.1731 -20.2546 -20.2546 -20.2438 -20.2438 -19.0011 -19.0011 -18.9803 -18.9803 -7.1416 -7.1416 -6.8989 -6.8989 -6.3385 -6.3385 -6.1516 -6.1516 -6.0441 -6.0441 -5.7865 -5.7865 -4.3514 -4.3514 -4.2170 -4.2170 -0.8979 -0.8979 -0.8758 -0.8758 -0.6190 -0.6190 -0.5759 -0.5759 -0.2496 -0.2496 -0.2284 -0.2284 -0.1793 -0.1793 -0.0882 -0.0882 -0.0309 -0.0309 -0.0127 -0.0127 8.7826 8.7826 9.9484 9.9484 10.5044 10.5044 10.6979 10.6979 11.0328 11.0328 k =-0.2583 0.2247 0.3424 ( 5087 PWs) bands (ev): -22.2706 -22.2706 -22.1721 -22.1721 -20.2513 -20.2513 -20.2449 -20.2449 -19.0008 -19.0008 -18.9799 -18.9799 -7.1447 -7.1447 -6.8957 -6.8957 -6.3434 -6.3434 -6.1472 -6.1472 -6.0533 -6.0533 -5.7884 -5.7884 -4.3440 -4.3440 -4.2316 -4.2316 -0.8896 -0.8896 -0.8655 -0.8655 -0.6154 -0.6154 -0.5671 -0.5671 -0.2519 -0.2519 -0.2401 -0.2401 -0.1786 -0.1786 -0.0777 -0.0777 -0.0301 -0.0301 -0.0093 -0.0093 8.6969 8.6969 9.9275 9.9275 10.5631 10.5631 10.7008 10.7008 10.9728 10.9728 k =-0.2491 0.2167 0.3301 ( 5089 PWs) bands (ev): -22.2732 -22.2732 -22.1711 -22.1711 -20.2480 -20.2480 -20.2459 -20.2459 -19.0005 -19.0005 -18.9795 -18.9795 -7.1477 -7.1477 -6.8926 -6.8926 -6.3482 -6.3482 -6.1427 -6.1427 -6.0624 -6.0624 -5.7902 -5.7902 -4.3366 -4.3366 -4.2462 -4.2462 -0.8819 -0.8819 -0.8561 -0.8561 -0.6122 -0.6122 -0.5604 -0.5604 -0.2542 -0.2542 -0.2496 -0.2496 -0.1766 -0.1766 -0.0675 -0.0675 -0.0290 -0.0290 -0.0057 -0.0057 8.6079 8.6079 9.9053 9.9053 10.6183 10.6183 10.7058 10.7058 10.9151 10.9151 k =-0.2398 0.2087 0.3179 ( 5091 PWs) bands (ev): -22.2758 -22.2758 -22.1702 -22.1702 -20.2467 -20.2467 -20.2447 -20.2447 -19.0002 -19.0002 -18.9793 -18.9793 -7.1508 -7.1508 -6.8893 -6.8893 -6.3530 -6.3530 -6.1380 -6.1380 -6.0713 -6.0713 -5.7920 -5.7920 -4.3293 -4.3293 -4.2607 -4.2607 -0.8748 -0.8748 -0.8478 -0.8478 -0.6091 -0.6091 -0.5566 -0.5566 -0.2588 -0.2588 -0.2534 -0.2534 -0.1734 -0.1734 -0.0577 -0.0577 -0.0276 -0.0276 -0.0019 -0.0019 8.5165 8.5165 9.8822 9.8822 10.6677 10.6677 10.7124 10.7124 10.8605 10.8605 k =-0.2306 0.2007 0.3057 ( 5089 PWs) bands (ev): -22.2785 -22.2785 -22.1692 -22.1692 -20.2473 -20.2473 -20.2414 -20.2414 -18.9998 -18.9998 -18.9793 -18.9793 -7.1539 -7.1539 -6.8860 -6.8860 -6.3578 -6.3578 -6.1332 -6.1332 -6.0801 -6.0801 -5.7938 -5.7938 -4.3222 -4.3222 -4.2751 -4.2751 -0.8682 -0.8682 -0.8406 -0.8406 -0.6061 -0.6061 -0.5560 -0.5560 -0.2629 -0.2629 -0.2534 -0.2534 -0.1691 -0.1691 -0.0485 -0.0485 -0.0259 -0.0259 0.0020 0.0020 8.4236 8.4236 9.8583 9.8583 10.7069 10.7069 10.7201 10.7201 10.8116 10.8116 k =-0.2214 0.1926 0.2935 ( 5089 PWs) bands (ev): -22.2811 -22.2811 -22.1683 -22.1683 -20.2478 -20.2478 -20.2381 -20.2381 -18.9995 -18.9995 -18.9793 -18.9793 -7.1570 -7.1570 -6.8827 -6.8827 -6.3625 -6.3625 -6.1283 -6.1283 -6.0887 -6.0887 -5.7956 -5.7956 -4.3154 -4.3154 -4.2891 -4.2891 -0.8625 -0.8625 -0.8347 -0.8347 -0.6033 -0.6033 -0.5590 -0.5590 -0.2642 -0.2642 -0.2517 -0.2517 -0.1636 -0.1636 -0.0402 -0.0402 -0.0238 -0.0238 0.0060 0.0060 8.3301 8.3301 9.8339 9.8339 10.7093 10.7093 10.7429 10.7429 10.7788 10.7788 k =-0.2122 0.1846 0.2812 ( 5087 PWs) bands (ev): -22.2838 -22.2838 -22.1673 -22.1673 -20.2482 -20.2482 -20.2349 -20.2349 -18.9991 -18.9991 -18.9795 -18.9795 -7.1601 -7.1601 -6.8794 -6.8794 -6.3672 -6.3672 -6.1233 -6.1233 -6.0971 -6.0971 -5.7973 -5.7973 -4.3111 -4.3111 -4.3005 -4.3005 -0.8577 -0.8577 -0.8300 -0.8300 -0.6010 -0.6010 -0.5650 -0.5650 -0.2624 -0.2624 -0.2483 -0.2483 -0.1570 -0.1570 -0.0328 -0.0328 -0.0213 -0.0213 0.0101 0.0101 8.2366 8.2366 9.8092 9.8092 10.6786 10.6786 10.7609 10.7609 10.7766 10.7766 k =-0.2029 0.1766 0.2690 ( 5077 PWs) bands (ev): -22.2865 -22.2865 -22.1664 -22.1664 -20.2484 -20.2484 -20.2317 -20.2317 -18.9987 -18.9987 -18.9798 -18.9798 -7.1632 -7.1632 -6.8761 -6.8761 -6.3717 -6.3717 -6.1183 -6.1183 -6.1053 -6.1053 -5.7989 -5.7989 -4.3199 -4.3199 -4.2988 -4.2988 -0.8541 -0.8541 -0.8264 -0.8264 -0.6003 -0.6003 -0.5726 -0.5726 -0.2580 -0.2580 -0.2428 -0.2428 -0.1494 -0.1494 -0.0266 -0.0266 -0.0182 -0.0182 0.0143 0.0143 8.1437 8.1437 9.7845 9.7845 10.6360 10.6360 10.7704 10.7704 10.7870 10.7870 k =-0.1937 0.1686 0.2568 ( 5085 PWs) bands (ev): -22.2892 -22.2892 -22.1655 -22.1655 -20.2485 -20.2485 -20.2286 -20.2286 -18.9984 -18.9984 -18.9801 -18.9801 -7.1663 -7.1663 -6.8727 -6.8727 -6.3762 -6.3762 -6.1145 -6.1145 -6.1119 -6.1119 -5.8005 -5.8005 -4.3331 -4.3331 -4.2926 -4.2926 -0.8518 -0.8518 -0.8237 -0.8237 -0.6040 -0.6040 -0.5785 -0.5785 -0.2515 -0.2515 -0.2354 -0.2354 -0.1410 -0.1410 -0.0218 -0.0218 -0.0145 -0.0145 0.0185 0.0185 8.0520 8.0520 9.7597 9.7597 10.5918 10.5918 10.7702 10.7702 10.8013 10.8013 k =-0.1845 0.1605 0.2446 ( 5095 PWs) bands (ev): -22.2918 -22.2918 -22.1646 -22.1646 -20.2484 -20.2484 -20.2256 -20.2256 -18.9980 -18.9980 -18.9806 -18.9806 -7.1693 -7.1693 -6.8694 -6.8694 -6.3807 -6.3807 -6.1212 -6.1212 -6.1076 -6.1076 -5.8020 -5.8020 -4.3466 -4.3466 -4.2860 -4.2860 -0.8507 -0.8507 -0.8219 -0.8219 -0.6144 -0.6144 -0.5796 -0.5796 -0.2435 -0.2435 -0.2259 -0.2259 -0.1318 -0.1318 -0.0180 -0.0180 -0.0104 -0.0104 0.0228 0.0228 7.9619 7.9619 9.7353 9.7353 10.5487 10.5487 10.7596 10.7596 10.8193 10.8193 k =-0.1753 0.1525 0.2323 ( 5095 PWs) bands (ev): -22.2944 -22.2944 -22.1637 -22.1637 -20.2482 -20.2482 -20.2227 -20.2227 -18.9977 -18.9977 -18.9812 -18.9812 -7.1724 -7.1724 -6.8660 -6.8660 -6.3850 -6.3850 -6.1286 -6.1286 -6.1024 -6.1024 -5.8034 -5.8034 -4.3599 -4.3599 -4.2794 -4.2794 -0.8510 -0.8510 -0.8209 -0.8209 -0.6293 -0.6293 -0.5778 -0.5778 -0.2343 -0.2343 -0.2147 -0.2147 -0.1220 -0.1220 -0.0148 -0.0148 -0.0064 -0.0064 0.0271 0.0271 7.8738 7.8738 9.7111 9.7111 10.5072 10.5072 10.7415 10.7415 10.8395 10.8395 k =-0.1660 0.1445 0.2201 ( 5095 PWs) bands (ev): -22.2969 -22.2969 -22.1629 -22.1629 -20.2479 -20.2479 -20.2198 -20.2198 -18.9973 -18.9973 -18.9819 -18.9819 -7.1753 -7.1753 -6.8627 -6.8627 -6.3892 -6.3892 -6.1357 -6.1357 -6.0972 -6.0972 -5.8048 -5.8048 -4.3729 -4.3729 -4.2729 -4.2729 -0.8524 -0.8524 -0.8207 -0.8207 -0.6462 -0.6462 -0.5749 -0.5749 -0.2239 -0.2239 -0.2022 -0.2022 -0.1118 -0.1118 -0.0118 -0.0118 -0.0029 -0.0029 0.0313 0.0313 7.7881 7.7881 9.6875 9.6875 10.4676 10.4676 10.7181 10.7181 10.8613 10.8613 k =-0.1568 0.1364 0.2079 ( 5091 PWs) bands (ev): -22.2994 -22.2994 -22.1621 -22.1621 -20.2476 -20.2476 -20.2170 -20.2170 -18.9969 -18.9969 -18.9826 -18.9826 -7.1783 -7.1783 -6.8595 -6.8595 -6.3933 -6.3933 -6.1425 -6.1425 -6.0919 -6.0919 -5.8061 -5.8061 -4.3855 -4.3855 -4.2666 -4.2666 -0.8549 -0.8549 -0.8212 -0.8212 -0.6641 -0.6641 -0.5715 -0.5715 -0.2126 -0.2126 -0.1888 -0.1888 -0.1013 -0.1013 -0.0090 -0.0090 0.0003 0.0003 0.0353 0.0353 7.7052 7.7052 9.6644 9.6644 10.4301 10.4301 10.6913 10.6913 10.8840 10.8840 k =-0.1476 0.1284 0.1956 ( 5091 PWs) bands (ev): -22.3018 -22.3018 -22.1613 -22.1613 -20.2471 -20.2471 -20.2144 -20.2144 -18.9966 -18.9966 -18.9834 -18.9834 -7.1811 -7.1811 -6.8563 -6.8563 -6.3972 -6.3972 -6.1490 -6.1490 -6.0867 -6.0867 -5.8072 -5.8072 -4.3977 -4.3977 -4.2604 -4.2604 -0.8583 -0.8583 -0.8223 -0.8223 -0.6825 -0.6825 -0.5679 -0.5679 -0.2004 -0.2004 -0.1748 -0.1748 -0.0907 -0.0907 -0.0063 -0.0063 0.0029 0.0029 0.0392 0.0392 7.6254 7.6254 9.6421 9.6421 10.3947 10.3947 10.6627 10.6627 10.9075 10.9075 k =-0.1384 0.1204 0.1834 ( 5099 PWs) bands (ev): -22.3041 -22.3041 -22.1606 -22.1606 -20.2466 -20.2466 -20.2118 -20.2118 -18.9962 -18.9962 -18.9842 -18.9842 -7.1839 -7.1839 -6.8533 -6.8533 -6.4010 -6.4010 -6.1551 -6.1551 -6.0815 -6.0815 -5.8083 -5.8083 -4.4094 -4.4094 -4.2544 -4.2544 -0.8624 -0.8624 -0.8240 -0.8240 -0.7009 -0.7009 -0.5642 -0.5642 -0.1876 -0.1876 -0.1606 -0.1606 -0.0801 -0.0801 -0.0038 -0.0038 0.0052 0.0052 0.0428 0.0428 7.5489 7.5489 9.6205 9.6205 10.3614 10.3614 10.6332 10.6332 10.9315 10.9315 k =-0.1291 0.1124 0.1712 ( 5095 PWs) bands (ev): -22.3064 -22.3064 -22.1599 -22.1599 -20.2460 -20.2460 -20.2094 -20.2094 -18.9959 -18.9959 -18.9850 -18.9850 -7.1866 -7.1866 -6.8503 -6.8503 -6.4047 -6.4047 -6.1609 -6.1609 -6.0765 -6.0765 -5.8094 -5.8094 -4.4207 -4.4207 -4.2487 -4.2487 -0.8669 -0.8669 -0.8263 -0.8263 -0.7190 -0.7190 -0.5605 -0.5605 -0.1744 -0.1744 -0.1462 -0.1462 -0.0696 -0.0696 -0.0014 -0.0014 0.0072 0.0072 0.0462 0.0462 7.4760 7.4760 9.5999 9.5999 10.3303 10.3303 10.6038 10.6038 10.9556 10.9556 k =-0.1199 0.1043 0.1590 ( 5089 PWs) bands (ev): -22.3085 -22.3085 -22.1592 -22.1592 -20.2453 -20.2453 -20.2071 -20.2071 -18.9955 -18.9955 -18.9859 -18.9859 -7.1892 -7.1892 -6.8474 -6.8474 -6.4082 -6.4082 -6.1664 -6.1664 -6.0716 -6.0716 -5.8103 -5.8103 -4.4314 -4.4314 -4.2432 -4.2432 -0.8719 -0.8719 -0.8289 -0.8289 -0.7365 -0.7365 -0.5568 -0.5568 -0.1609 -0.1609 -0.1319 -0.1319 -0.0594 -0.0594 0.0007 0.0007 0.0090 0.0090 0.0492 0.0492 7.4070 7.4070 9.5803 9.5803 10.3014 10.3014 10.5750 10.5750 10.9797 10.9797 k =-0.1107 0.0963 0.1467 ( 5087 PWs) bands (ev): -22.3105 -22.3105 -22.1585 -22.1585 -20.2447 -20.2447 -20.2050 -20.2050 -18.9952 -18.9952 -18.9868 -18.9868 -7.1916 -7.1916 -6.8447 -6.8447 -6.4115 -6.4115 -6.1714 -6.1714 -6.0668 -6.0668 -5.8111 -5.8111 -4.4415 -4.4415 -4.2379 -4.2379 -0.8771 -0.8771 -0.8319 -0.8319 -0.7534 -0.7534 -0.5532 -0.5532 -0.1474 -0.1474 -0.1179 -0.1179 -0.0497 -0.0497 0.0026 0.0026 0.0105 0.0105 0.0520 0.0520 7.3422 7.3422 9.5617 9.5617 10.2746 10.2746 10.5473 10.5473 11.0034 11.0034 k =-0.1015 0.0883 0.1345 ( 5083 PWs) bands (ev): -22.3124 -22.3124 -22.1580 -22.1580 -20.2440 -20.2440 -20.2030 -20.2030 -18.9949 -18.9949 -18.9876 -18.9876 -7.1940 -7.1940 -6.8421 -6.8421 -6.4146 -6.4146 -6.1761 -6.1761 -6.0623 -6.0623 -5.8119 -5.8119 -4.4510 -4.4510 -4.2330 -4.2330 -0.8824 -0.8824 -0.8351 -0.8351 -0.7694 -0.7694 -0.5497 -0.5497 -0.1342 -0.1342 -0.1042 -0.1042 -0.0405 -0.0405 0.0042 0.0042 0.0119 0.0119 0.0544 0.0544 7.2817 7.2817 9.5443 9.5443 10.2500 10.2500 10.5210 10.5210 11.0264 11.0264 k =-0.0922 0.0803 0.1223 ( 5085 PWs) bands (ev): -22.3142 -22.3142 -22.1574 -22.1574 -20.2433 -20.2433 -20.2011 -20.2011 -18.9946 -18.9946 -18.9885 -18.9885 -7.1961 -7.1961 -6.8397 -6.8397 -6.4175 -6.4175 -6.1804 -6.1804 -6.0580 -6.0580 -5.8125 -5.8125 -4.4598 -4.4598 -4.2284 -4.2284 -0.8877 -0.8877 -0.8384 -0.8384 -0.7843 -0.7843 -0.5464 -0.5464 -0.1214 -0.1214 -0.0909 -0.0909 -0.0320 -0.0320 0.0055 0.0055 0.0131 0.0131 0.0566 0.0566 7.2257 7.2257 9.5281 9.5281 10.2276 10.2276 10.4965 10.4965 11.0486 11.0486 k =-0.0830 0.0722 0.1100 ( 5091 PWs) bands (ev): -22.3158 -22.3158 -22.1569 -22.1569 -20.2427 -20.2427 -20.1995 -20.1995 -18.9944 -18.9944 -18.9892 -18.9892 -7.1981 -7.1981 -6.8375 -6.8375 -6.4201 -6.4201 -6.1843 -6.1843 -6.0541 -6.0541 -5.8131 -5.8131 -4.4679 -4.4679 -4.2241 -4.2241 -0.8928 -0.8928 -0.8416 -0.8416 -0.7982 -0.7982 -0.5433 -0.5433 -0.1091 -0.1091 -0.0783 -0.0783 -0.0243 -0.0243 0.0065 0.0065 0.0142 0.0142 0.0586 0.0586 7.1744 7.1744 9.5133 9.5133 10.2074 10.2074 10.4739 10.4739 11.0697 11.0697 k =-0.0738 0.0642 0.0978 ( 5099 PWs) bands (ev): -22.3173 -22.3173 -22.1565 -22.1565 -20.2421 -20.2421 -20.1980 -20.1980 -18.9941 -18.9941 -18.9900 -18.9900 -7.2000 -7.2000 -6.8355 -6.8355 -6.4225 -6.4225 -6.1878 -6.1878 -6.0504 -6.0504 -5.8136 -5.8136 -4.4753 -4.4753 -4.2202 -4.2202 -0.8977 -0.8977 -0.8448 -0.8448 -0.8107 -0.8107 -0.5404 -0.5404 -0.0977 -0.0977 -0.0663 -0.0663 -0.0175 -0.0175 0.0072 0.0072 0.0153 0.0153 0.0602 0.0602 7.1281 7.1281 9.4998 9.4998 10.1893 10.1893 10.4534 10.4534 11.0893 11.0893 k =-0.0646 0.0562 0.0856 ( 5107 PWs) bands (ev): -22.3186 -22.3186 -22.1561 -22.1561 -20.2415 -20.2415 -20.1966 -20.1966 -18.9939 -18.9939 -18.9907 -18.9907 -7.2016 -7.2016 -6.8337 -6.8337 -6.4247 -6.4247 -6.1909 -6.1909 -6.0470 -6.0470 -5.8140 -5.8140 -4.4819 -4.4819 -4.2167 -4.2167 -0.9023 -0.9023 -0.8479 -0.8479 -0.8219 -0.8219 -0.5378 -0.5378 -0.0871 -0.0871 -0.0552 -0.0552 -0.0118 -0.0118 0.0078 0.0078 0.0163 0.0163 0.0617 0.0617 7.0868 7.0868 9.4878 9.4878 10.1733 10.1733 10.4351 10.4351 11.1073 11.1073 k =-0.0553 0.0482 0.0734 ( 5109 PWs) bands (ev): -22.3197 -22.3197 -22.1557 -22.1557 -20.2410 -20.2410 -20.1954 -20.1954 -18.9937 -18.9937 -18.9913 -18.9913 -7.2031 -7.2031 -6.8321 -6.8321 -6.4266 -6.4266 -6.1935 -6.1935 -6.0441 -6.0441 -5.8144 -5.8144 -4.4877 -4.4877 -4.2137 -4.2137 -0.9065 -0.9065 -0.8506 -0.8506 -0.8317 -0.8317 -0.5354 -0.5354 -0.0775 -0.0775 -0.0450 -0.0450 -0.0073 -0.0073 0.0082 0.0082 0.0174 0.0174 0.0629 0.0629 7.0507 7.0507 9.4773 9.4773 10.1595 10.1595 10.4191 10.4191 11.1234 11.1234 k =-0.0461 0.0401 0.0611 ( 5101 PWs) bands (ev): -22.3207 -22.3207 -22.1554 -22.1554 -20.2405 -20.2405 -20.1944 -20.1944 -18.9935 -18.9935 -18.9919 -18.9919 -7.2043 -7.2043 -6.8307 -6.8307 -6.4282 -6.4282 -6.1958 -6.1958 -6.0415 -6.0415 -5.8147 -5.8147 -4.4927 -4.4927 -4.2110 -4.2110 -0.9102 -0.9102 -0.8531 -0.8531 -0.8401 -0.8401 -0.5334 -0.5334 -0.0689 -0.0689 -0.0359 -0.0359 -0.0043 -0.0043 0.0085 0.0085 0.0185 0.0185 0.0640 0.0640 7.0199 7.0199 9.4682 9.4682 10.1479 10.1479 10.4054 10.4054 11.1373 11.1373 k =-0.0369 0.0321 0.0489 ( 5109 PWs) bands (ev): -22.3215 -22.3215 -22.1552 -22.1552 -20.2401 -20.2401 -20.1936 -20.1936 -18.9934 -18.9934 -18.9923 -18.9923 -7.2053 -7.2053 -6.8296 -6.8296 -6.4296 -6.4296 -6.1977 -6.1977 -6.0394 -6.0394 -5.8149 -5.8149 -4.4968 -4.4968 -4.2088 -4.2088 -0.9134 -0.9134 -0.8552 -0.8552 -0.8469 -0.8469 -0.5317 -0.5317 -0.0616 -0.0616 -0.0279 -0.0279 -0.0028 -0.0028 0.0090 0.0090 0.0196 0.0196 0.0648 0.0648 6.9946 6.9946 9.4608 9.4608 10.1383 10.1383 10.3942 10.3942 11.1490 11.1490 k =-0.0277 0.0241 0.0367 ( 5109 PWs) bands (ev): -22.3222 -22.3222 -22.1550 -22.1550 -20.2398 -20.2398 -20.1929 -20.1929 -18.9933 -18.9933 -18.9927 -18.9927 -7.2062 -7.2062 -6.8287 -6.8287 -6.4306 -6.4306 -6.1991 -6.1991 -6.0378 -6.0378 -5.8151 -5.8151 -4.5000 -4.5000 -4.2071 -4.2071 -0.9159 -0.9159 -0.8569 -0.8569 -0.8522 -0.8522 -0.5304 -0.5304 -0.0557 -0.0557 -0.0212 -0.0212 -0.0026 -0.0026 0.0094 0.0094 0.0207 0.0207 0.0655 0.0655 6.9748 6.9748 9.4550 9.4550 10.1309 10.1309 10.3854 10.3854 11.1581 11.1581 k =-0.0184 0.0161 0.0245 ( 5105 PWs) bands (ev): -22.3226 -22.3226 -22.1549 -22.1549 -20.2396 -20.2396 -20.1925 -20.1925 -18.9933 -18.9933 -18.9929 -18.9929 -7.2067 -7.2067 -6.8281 -6.8281 -6.4314 -6.4314 -6.2002 -6.2002 -6.0365 -6.0365 -5.8152 -5.8152 -4.5023 -4.5023 -4.2059 -4.2059 -0.9178 -0.9178 -0.8581 -0.8581 -0.8560 -0.8560 -0.5294 -0.5294 -0.0513 -0.0513 -0.0156 -0.0156 -0.0034 -0.0034 0.0098 0.0098 0.0216 0.0216 0.0660 0.0660 6.9606 6.9606 9.4508 9.4508 10.1256 10.1256 10.3791 10.3791 11.1643 11.1643 k =-0.0092 0.0080 0.0122 ( 5103 PWs) bands (ev): -22.3229 -22.3229 -22.1548 -22.1548 -20.2395 -20.2395 -20.1922 -20.1922 -18.9933 -18.9933 -18.9930 -18.9930 -7.2071 -7.2071 -6.8277 -6.8277 -6.4318 -6.4318 -6.2008 -6.2008 -6.0358 -6.0358 -5.8153 -5.8153 -4.5037 -4.5037 -4.2051 -4.2051 -0.9189 -0.9189 -0.8589 -0.8589 -0.8582 -0.8582 -0.5289 -0.5289 -0.0485 -0.0485 -0.0112 -0.0112 -0.0052 -0.0052 0.0100 0.0100 0.0222 0.0222 0.0662 0.0662 6.9521 6.9521 9.4483 9.4483 10.1224 10.1224 10.3753 10.3753 11.1672 11.1672 k = 0.0000 0.0000 0.0000 ( 5111 PWs) bands (ev): -22.3230 -22.3230 -22.1547 -22.1547 -20.2394 -20.2394 -20.1921 -20.1921 -18.9933 -18.9933 -18.9931 -18.9931 -7.2072 -7.2072 -6.8276 -6.8276 -6.4320 -6.4320 -6.2010 -6.2010 -6.0356 -6.0356 -5.8153 -5.8153 -4.5042 -4.5042 -4.2049 -4.2049 -0.9193 -0.9193 -0.8593 -0.8593 -0.8588 -0.8588 -0.5287 -0.5287 -0.0476 -0.0476 -0.0083 -0.0083 -0.0072 -0.0072 0.0101 0.0101 0.0224 0.0224 0.0663 0.0663 6.9492 6.9492 9.4475 9.4475 10.1214 10.1214 10.3741 10.3741 11.1677 11.1677 k = 0.0000 0.0000 0.0000 ( 5111 PWs) bands (ev): -22.3230 -22.3230 -22.1547 -22.1547 -20.2394 -20.2394 -20.1921 -20.1921 -18.9933 -18.9933 -18.9931 -18.9931 -7.2072 -7.2072 -6.8276 -6.8276 -6.4320 -6.4320 -6.2010 -6.2010 -6.0356 -6.0356 -5.8153 -5.8153 -4.5042 -4.5042 -4.2049 -4.2049 -0.9193 -0.9193 -0.8593 -0.8593 -0.8588 -0.8588 -0.5287 -0.5287 -0.0476 -0.0476 -0.0083 -0.0083 -0.0072 -0.0072 0.0101 0.0101 0.0224 0.0224 0.0663 0.0663 6.9492 6.9492 9.4475 9.4475 10.1214 10.1214 10.3741 10.3741 11.1677 11.1677 k = 0.0114 0.0131-0.0000 ( 5099 PWs) bands (ev): -22.3228 -22.3228 -22.1548 -22.1548 -20.2395 -20.2395 -20.1921 -20.1921 -18.9933 -18.9933 -18.9931 -18.9931 -7.2066 -7.2066 -6.8277 -6.8277 -6.4315 -6.4315 -6.2012 -6.2012 -6.0353 -6.0353 -5.8163 -5.8163 -4.5042 -4.5042 -4.2044 -4.2044 -0.9190 -0.9190 -0.8593 -0.8593 -0.8588 -0.8588 -0.5296 -0.5296 -0.0476 -0.0476 -0.0084 -0.0084 -0.0076 -0.0076 0.0099 0.0099 0.0223 0.0223 0.0664 0.0664 6.9519 6.9519 9.4508 9.4508 10.1202 10.1202 10.3734 10.3734 11.1691 11.1691 k = 0.0227 0.0261-0.0000 ( 5099 PWs) bands (ev): -22.3223 -22.3223 -22.1551 -22.1551 -20.2397 -20.2397 -20.1922 -20.1922 -18.9933 -18.9933 -18.9931 -18.9931 -7.2050 -7.2050 -6.8280 -6.8280 -6.4300 -6.4300 -6.2016 -6.2016 -6.0343 -6.0343 -5.8192 -5.8192 -4.5041 -4.5041 -4.2032 -4.2032 -0.9181 -0.9181 -0.8593 -0.8593 -0.8586 -0.8586 -0.5326 -0.5326 -0.0479 -0.0479 -0.0087 -0.0087 -0.0086 -0.0086 0.0092 0.0092 0.0221 0.0221 0.0664 0.0664 6.9599 6.9599 9.4606 9.4606 10.1167 10.1167 10.3714 10.3714 11.1731 11.1731 k = 0.0341 0.0392-0.0000 ( 5091 PWs) bands (ev): -22.3215 -22.3215 -22.1556 -22.1556 -20.2401 -20.2401 -20.1923 -20.1923 -18.9934 -18.9934 -18.9932 -18.9932 -7.2022 -7.2022 -6.8285 -6.8285 -6.4276 -6.4276 -6.2024 -6.2024 -6.0328 -6.0328 -5.8239 -5.8239 -4.5040 -4.5040 -4.2011 -4.2011 -0.9167 -0.9167 -0.8594 -0.8594 -0.8582 -0.8582 -0.5375 -0.5375 -0.0482 -0.0482 -0.0107 -0.0107 -0.0091 -0.0091 0.0083 0.0083 0.0219 0.0219 0.0664 0.0664 6.9733 6.9733 9.4770 9.4770 10.1108 10.1108 10.3684 10.3684 11.1797 11.1797 k = 0.0455 0.0522-0.0000 ( 5099 PWs) bands (ev): -22.3204 -22.3204 -22.1563 -22.1563 -20.2406 -20.2406 -20.1924 -20.1924 -18.9935 -18.9935 -18.9933 -18.9933 -7.1984 -7.1984 -6.8292 -6.8292 -6.4242 -6.4242 -6.2034 -6.2034 -6.0307 -6.0307 -5.8305 -5.8305 -4.5039 -4.5039 -4.1983 -4.1983 -0.9147 -0.9147 -0.8595 -0.8595 -0.8577 -0.8577 -0.5443 -0.5443 -0.0488 -0.0488 -0.0136 -0.0136 -0.0096 -0.0096 0.0071 0.0071 0.0214 0.0214 0.0665 0.0665 6.9919 6.9919 9.4999 9.4999 10.1023 10.1023 10.3645 10.3645 11.1891 11.1891 k = 0.0568 0.0653-0.0000 ( 5087 PWs) bands (ev): -22.3189 -22.3189 -22.1572 -22.1572 -20.2413 -20.2413 -20.1925 -20.1925 -18.9936 -18.9936 -18.9934 -18.9934 -7.1935 -7.1935 -6.8302 -6.8302 -6.4198 -6.4198 -6.2047 -6.2047 -6.0281 -6.0281 -5.8388 -5.8388 -4.5037 -4.5037 -4.1946 -4.1946 -0.9122 -0.9122 -0.8595 -0.8595 -0.8569 -0.8569 -0.5530 -0.5530 -0.0494 -0.0494 -0.0176 -0.0176 -0.0104 -0.0104 0.0057 0.0057 0.0209 0.0209 0.0666 0.0666 7.0156 7.0156 9.5291 9.5291 10.0909 10.0909 10.3601 10.3601 11.2010 11.2010 k = 0.0682 0.0784-0.0000 ( 5087 PWs) bands (ev): -22.3172 -22.3172 -22.1583 -22.1583 -20.2421 -20.2421 -20.1927 -20.1927 -18.9938 -18.9938 -18.9935 -18.9935 -7.1877 -7.1877 -6.8313 -6.8313 -6.4144 -6.4144 -6.2061 -6.2061 -6.0249 -6.0249 -5.8487 -5.8487 -4.5035 -4.5035 -4.1903 -4.1903 -0.9093 -0.9093 -0.8596 -0.8596 -0.8559 -0.8559 -0.5635 -0.5635 -0.0502 -0.0502 -0.0225 -0.0225 -0.0113 -0.0113 0.0042 0.0042 0.0202 0.0202 0.0668 0.0668 7.0444 7.0444 9.5647 9.5647 10.0766 10.0766 10.3556 10.3556 11.2155 11.2155 k = 0.0795 0.0914-0.0000 ( 5087 PWs) bands (ev): -22.3151 -22.3151 -22.1596 -22.1596 -20.2431 -20.2431 -20.1930 -20.1930 -18.9940 -18.9940 -18.9937 -18.9937 -7.1811 -7.1811 -6.8328 -6.8328 -6.4080 -6.4080 -6.2078 -6.2078 -6.0214 -6.0214 -5.8602 -5.8602 -4.5032 -4.5032 -4.1854 -4.1854 -0.9061 -0.9061 -0.8598 -0.8598 -0.8546 -0.8546 -0.5756 -0.5756 -0.0512 -0.0512 -0.0286 -0.0286 -0.0123 -0.0123 0.0027 0.0027 0.0193 0.0193 0.0670 0.0670 7.0782 7.0782 9.6064 9.6064 10.0592 10.0592 10.3512 10.3512 11.2327 11.2327 k = 0.0909 0.1045-0.0000 ( 5079 PWs) bands (ev): -22.3128 -22.3128 -22.1610 -22.1610 -20.2442 -20.2442 -20.1932 -20.1932 -18.9942 -18.9942 -18.9939 -18.9939 -7.1736 -7.1736 -6.8345 -6.8345 -6.4005 -6.4005 -6.2095 -6.2095 -6.0174 -6.0174 -5.8729 -5.8729 -4.5029 -4.5029 -4.1798 -4.1798 -0.9026 -0.9026 -0.8599 -0.8599 -0.8529 -0.8529 -0.5894 -0.5894 -0.0523 -0.0523 -0.0356 -0.0356 -0.0135 -0.0135 0.0010 0.0010 0.0183 0.0183 0.0672 0.0672 7.1167 7.1167 9.6542 9.6542 10.0386 10.0386 10.3474 10.3474 11.2523 11.2523 k = 0.1023 0.1175-0.0000 ( 5083 PWs) bands (ev): -22.3101 -22.3101 -22.1627 -22.1627 -20.2454 -20.2454 -20.1935 -20.1935 -18.9944 -18.9944 -18.9942 -18.9942 -7.1654 -7.1654 -6.8364 -6.8364 -6.3919 -6.3919 -6.2113 -6.2113 -6.0131 -6.0131 -5.8869 -5.8869 -4.5025 -4.5025 -4.1738 -4.1738 -0.8991 -0.8991 -0.8601 -0.8601 -0.8507 -0.8507 -0.6047 -0.6047 -0.0536 -0.0536 -0.0435 -0.0435 -0.0148 -0.0148 -0.0007 -0.0007 0.0171 0.0171 0.0676 0.0676 7.1599 7.1599 9.7078 9.7078 10.0149 10.0149 10.3443 10.3443 11.2744 11.2744 k = 0.1136 0.1306-0.0000 ( 5103 PWs) bands (ev): -22.3072 -22.3072 -22.1645 -22.1645 -20.2468 -20.2468 -20.1938 -20.1938 -18.9947 -18.9947 -18.9944 -18.9944 -7.1566 -7.1566 -6.8387 -6.8387 -6.3822 -6.3822 -6.2132 -6.2132 -6.0085 -6.0085 -5.9020 -5.9020 -4.5022 -4.5022 -4.1673 -4.1673 -0.8956 -0.8956 -0.8603 -0.8603 -0.8478 -0.8478 -0.6214 -0.6214 -0.0557 -0.0557 -0.0517 -0.0517 -0.0163 -0.0163 -0.0026 -0.0026 0.0157 0.0157 0.0680 0.0680 7.2075 7.2075 9.7671 9.7671 9.9882 9.9882 10.3421 10.3421 11.2989 11.2989 k = 0.1250 0.1437-0.0000 ( 5099 PWs) bands (ev): -22.3041 -22.3041 -22.1664 -22.1664 -20.2483 -20.2483 -20.1942 -20.1942 -18.9949 -18.9949 -18.9947 -18.9947 -7.1473 -7.1473 -6.8414 -6.8414 -6.3714 -6.3714 -6.2151 -6.2151 -6.0037 -6.0037 -5.9179 -5.9179 -4.5018 -4.5018 -4.1603 -4.1603 -0.8922 -0.8922 -0.8605 -0.8605 -0.8442 -0.8442 -0.6394 -0.6394 -0.0635 -0.0635 -0.0553 -0.0553 -0.0178 -0.0178 -0.0045 -0.0045 0.0141 0.0141 0.0685 0.0685 7.2594 7.2594 9.8318 9.8318 9.9587 9.9587 10.3407 10.3407 11.3258 11.3258 k = 0.1364 0.1567-0.0000 ( 5091 PWs) bands (ev): -22.3007 -22.3007 -22.1685 -22.1685 -20.2499 -20.2499 -20.1945 -20.1945 -18.9952 -18.9952 -18.9950 -18.9950 -7.1377 -7.1377 -6.8444 -6.8444 -6.3594 -6.3594 -6.2169 -6.2169 -5.9987 -5.9987 -5.9344 -5.9344 -4.5013 -4.5013 -4.1531 -4.1531 -0.8892 -0.8892 -0.8607 -0.8607 -0.8397 -0.8397 -0.6584 -0.6584 -0.0742 -0.0742 -0.0570 -0.0570 -0.0195 -0.0195 -0.0066 -0.0066 0.0124 0.0124 0.0690 0.0690 7.3153 7.3153 9.9015 9.9015 9.9267 9.9267 10.3403 10.3403 11.3549 11.3549 k = 0.1477 0.1698-0.0000 ( 5083 PWs) bands (ev): -22.2970 -22.2970 -22.1706 -22.1706 -20.2517 -20.2517 -20.1949 -20.1949 -18.9956 -18.9956 -18.9953 -18.9953 -7.1277 -7.1277 -6.8478 -6.8478 -6.3462 -6.3462 -6.2187 -6.2187 -5.9935 -5.9935 -5.9515 -5.9515 -4.5008 -4.5008 -4.1456 -4.1456 -0.8865 -0.8865 -0.8609 -0.8609 -0.8344 -0.8344 -0.6786 -0.6786 -0.0860 -0.0860 -0.0585 -0.0585 -0.0213 -0.0213 -0.0088 -0.0088 0.0104 0.0104 0.0697 0.0697 7.3751 7.3751 9.8925 9.8925 9.9761 9.9761 10.3407 10.3407 11.3862 11.3862 k = 0.1591 0.1828-0.0000 ( 5083 PWs) bands (ev): -22.2932 -22.2932 -22.1730 -22.1730 -20.2535 -20.2535 -20.1953 -20.1953 -18.9959 -18.9959 -18.9956 -18.9956 -7.1176 -7.1176 -6.8516 -6.8516 -6.3318 -6.3318 -6.2204 -6.2204 -5.9883 -5.9883 -5.9689 -5.9689 -4.5003 -4.5003 -4.1379 -4.1379 -0.8842 -0.8842 -0.8612 -0.8612 -0.8281 -0.8281 -0.6996 -0.6996 -0.0986 -0.0986 -0.0601 -0.0601 -0.0232 -0.0232 -0.0111 -0.0111 0.0083 0.0083 0.0705 0.0705 7.4385 7.4385 9.8565 9.8565 10.0551 10.0551 10.3420 10.3420 11.4196 11.4196 k = 0.1705 0.1959-0.0000 ( 5091 PWs) bands (ev): -22.2892 -22.2892 -22.1754 -22.1754 -20.2555 -20.2555 -20.1958 -20.1958 -18.9963 -18.9963 -18.9960 -18.9960 -7.1074 -7.1074 -6.8559 -6.8559 -6.3162 -6.3162 -6.2221 -6.2221 -5.9864 -5.9864 -5.9829 -5.9829 -4.4998 -4.4998 -4.1301 -4.1301 -0.8823 -0.8823 -0.8616 -0.8616 -0.8212 -0.8212 -0.7213 -0.7213 -0.1121 -0.1121 -0.0617 -0.0617 -0.0252 -0.0252 -0.0135 -0.0135 0.0060 0.0060 0.0713 0.0713 7.5054 7.5054 9.8189 9.8189 10.1380 10.1380 10.3441 10.3441 11.4550 11.4550 k = 0.1818 0.2090-0.0000 ( 5099 PWs) bands (ev): -22.2850 -22.2850 -22.1779 -22.1779 -20.2575 -20.2575 -20.1962 -20.1962 -18.9966 -18.9966 -18.9964 -18.9964 -7.0972 -7.0972 -6.8608 -6.8608 -6.2994 -6.2994 -6.2236 -6.2236 -6.0039 -6.0039 -5.9775 -5.9775 -4.4992 -4.4992 -4.1222 -4.1222 -0.8807 -0.8807 -0.8620 -0.8620 -0.8135 -0.8135 -0.7436 -0.7436 -0.1264 -0.1264 -0.0634 -0.0634 -0.0274 -0.0274 -0.0160 -0.0160 0.0036 0.0036 0.0723 0.0723 7.5754 7.5754 9.7800 9.7800 10.2244 10.2244 10.3469 10.3469 11.4923 11.4923 k = 0.1932 0.2220-0.0000 ( 5099 PWs) bands (ev): -22.2806 -22.2806 -22.1805 -22.1805 -20.2596 -20.2596 -20.1967 -20.1967 -18.9970 -18.9970 -18.9967 -18.9967 -7.0873 -7.0873 -6.8661 -6.8661 -6.2814 -6.2814 -6.2250 -6.2250 -6.0211 -6.0211 -5.9721 -5.9721 -4.4986 -4.4986 -4.1142 -4.1142 -0.8794 -0.8794 -0.8626 -0.8626 -0.8053 -0.8053 -0.7662 -0.7662 -0.1413 -0.1413 -0.0651 -0.0651 -0.0296 -0.0296 -0.0186 -0.0186 0.0010 0.0010 0.0733 0.0733 7.6485 7.6485 9.7403 9.7403 10.3138 10.3138 10.3504 10.3504 11.5313 11.5313 k = 0.2045 0.2351-0.0000 ( 5103 PWs) bands (ev): -22.2761 -22.2761 -22.1832 -22.1832 -20.2618 -20.2618 -20.1972 -20.1972 -18.9974 -18.9974 -18.9971 -18.9971 -7.0775 -7.0775 -6.8721 -6.8721 -6.2623 -6.2623 -6.2264 -6.2264 -6.0379 -6.0379 -5.9667 -5.9667 -4.4980 -4.4980 -4.1063 -4.1063 -0.8782 -0.8782 -0.8635 -0.8635 -0.7965 -0.7965 -0.7889 -0.7889 -0.1569 -0.1569 -0.0668 -0.0668 -0.0320 -0.0320 -0.0213 -0.0213 -0.0016 -0.0016 0.0744 0.0744 7.7242 7.7242 9.6999 9.6999 10.3545 10.3545 10.4054 10.4054 11.5718 11.5718 k = 0.2159 0.2481-0.0000 ( 5107 PWs) bands (ev): -22.2715 -22.2715 -22.1859 -22.1859 -20.2640 -20.2640 -20.1977 -20.1977 -18.9978 -18.9978 -18.9975 -18.9975 -7.0681 -7.0681 -6.8786 -6.8786 -6.2422 -6.2422 -6.2275 -6.2275 -6.0541 -6.0541 -5.9613 -5.9613 -4.4973 -4.4973 -4.0984 -4.0984 -0.8772 -0.8772 -0.8651 -0.8651 -0.8112 -0.8112 -0.7874 -0.7874 -0.1731 -0.1731 -0.0685 -0.0685 -0.0344 -0.0344 -0.0241 -0.0241 -0.0043 -0.0043 0.0755 0.0755 7.8025 7.8025 9.6592 9.6592 10.3591 10.3591 10.4986 10.4986 11.6138 11.6138 k = 0.2273 0.2612-0.0000 ( 5103 PWs) bands (ev): -22.2668 -22.2668 -22.1887 -22.1887 -20.2663 -20.2663 -20.1982 -20.1982 -18.9982 -18.9982 -18.9979 -18.9979 -7.0591 -7.0591 -6.8856 -6.8856 -6.2286 -6.2286 -6.2212 -6.2212 -6.0695 -6.0695 -5.9560 -5.9560 -4.4966 -4.4966 -4.0907 -4.0907 -0.8763 -0.8763 -0.8685 -0.8685 -0.8316 -0.8316 -0.7780 -0.7780 -0.1899 -0.1899 -0.0702 -0.0702 -0.0370 -0.0370 -0.0269 -0.0269 -0.0071 -0.0071 0.0767 0.0767 7.8831 7.8831 9.6184 9.6184 10.3642 10.3642 10.5926 10.5926 11.6570 11.6570 k = 0.2386 0.2743-0.0000 ( 5103 PWs) bands (ev): -22.2620 -22.2620 -22.1915 -22.1915 -20.2687 -20.2687 -20.1987 -20.1987 -18.9986 -18.9986 -18.9983 -18.9983 -7.0505 -7.0505 -6.8932 -6.8932 -6.2295 -6.2295 -6.1997 -6.1997 -6.0836 -6.0836 -5.9508 -5.9508 -4.4960 -4.4960 -4.0830 -4.0830 -0.8774 -0.8774 -0.8754 -0.8754 -0.8466 -0.8466 -0.7683 -0.7683 -0.2071 -0.2071 -0.0720 -0.0720 -0.0398 -0.0398 -0.0298 -0.0298 -0.0098 -0.0098 0.0780 0.0780 7.9656 7.9656 9.5777 9.5777 10.3698 10.3698 10.6864 10.6864 11.7011 11.7011 k = 0.2500 0.2873-0.0000 ( 5103 PWs) bands (ev): -22.2572 -22.2572 -22.1943 -22.1943 -20.2710 -20.2710 -20.1992 -20.1992 -18.9990 -18.9990 -18.9987 -18.9987 -7.0424 -7.0424 -6.9013 -6.9013 -6.2303 -6.2303 -6.1784 -6.1784 -6.0959 -6.0959 -5.9457 -5.9457 -4.4952 -4.4952 -4.0756 -4.0756 -0.8943 -0.8943 -0.8746 -0.8746 -0.8535 -0.8535 -0.7585 -0.7585 -0.2247 -0.2247 -0.0738 -0.0738 -0.0426 -0.0426 -0.0327 -0.0327 -0.0125 -0.0125 0.0792 0.0792 8.0500 8.0500 9.5374 9.5374 10.3758 10.3758 10.7791 10.7791 11.7460 11.7460 k = 0.2614 0.3004-0.0000 ( 5095 PWs) bands (ev): -22.2524 -22.2524 -22.1971 -22.1971 -20.2734 -20.2734 -20.1997 -20.1997 -18.9994 -18.9994 -18.9991 -18.9991 -7.0349 -7.0349 -6.9099 -6.9099 -6.2309 -6.2309 -6.1595 -6.1595 -6.1041 -6.1041 -5.9408 -5.9408 -4.4945 -4.4945 -4.0683 -4.0683 -0.9152 -0.9152 -0.8738 -0.8738 -0.8561 -0.8561 -0.7487 -0.7487 -0.2427 -0.2427 -0.0756 -0.0756 -0.0456 -0.0456 -0.0356 -0.0356 -0.0152 -0.0152 0.0805 0.0805 8.1359 8.1359 9.4976 9.4976 10.3821 10.3821 10.8696 10.8696 11.7907 11.7907 k = 0.2727 0.3134-0.0000 ( 5107 PWs) bands (ev): -22.2476 -22.2476 -22.1999 -22.1999 -20.2758 -20.2758 -20.2002 -20.2002 -18.9998 -18.9998 -18.9995 -18.9995 -7.0281 -7.0281 -6.9187 -6.9187 -6.2314 -6.2314 -6.1495 -6.1495 -6.1020 -6.1020 -5.9360 -5.9360 -4.4938 -4.4938 -4.0613 -4.0613 -0.9371 -0.9371 -0.8731 -0.8731 -0.8573 -0.8573 -0.7388 -0.7388 -0.2609 -0.2609 -0.0773 -0.0773 -0.0488 -0.0488 -0.0386 -0.0386 -0.0177 -0.0177 0.0819 0.0819 8.2231 8.2231 9.4586 9.4586 10.3888 10.3888 10.9568 10.9568 11.7706 11.7706 k = 0.2841 0.3265-0.0000 ( 5092 PWs) bands (ev): -22.2428 -22.2428 -22.2026 -22.2026 -20.2782 -20.2782 -20.2007 -20.2007 -19.0002 -19.0002 -18.9999 -18.9999 -7.0219 -7.0219 -6.9278 -6.9278 -6.2318 -6.2318 -6.1517 -6.1517 -6.0861 -6.0861 -5.9313 -5.9313 -4.4931 -4.4931 -4.0544 -4.0544 -0.9591 -0.9591 -0.8723 -0.8723 -0.8580 -0.8580 -0.7290 -0.7290 -0.2792 -0.2792 -0.0791 -0.0791 -0.0520 -0.0520 -0.0414 -0.0414 -0.0202 -0.0202 0.0832 0.0832 8.3114 8.3114 9.4205 9.4205 10.3956 10.3956 11.0395 11.0395 11.6328 11.6328 k = 0.2955 0.3396-0.0000 ( 5084 PWs) bands (ev): -22.2381 -22.2381 -22.2053 -22.2053 -20.2806 -20.2806 -20.2012 -20.2012 -19.0006 -19.0006 -19.0003 -19.0003 -7.0167 -7.0167 -6.9368 -6.9368 -6.2321 -6.2321 -6.1591 -6.1591 -6.0638 -6.0638 -5.9269 -5.9269 -4.4923 -4.4923 -4.0479 -4.0479 -0.9808 -0.9808 -0.8716 -0.8716 -0.8584 -0.8584 -0.7192 -0.7192 -0.2976 -0.2976 -0.0808 -0.0808 -0.0554 -0.0554 -0.0443 -0.0443 -0.0225 -0.0225 0.0845 0.0845 8.4003 8.4003 9.3835 9.3835 10.4027 10.4027 11.1164 11.1164 11.4992 11.4992 k = 0.3068 0.3526-0.0000 ( 5084 PWs) bands (ev): -22.2335 -22.2335 -22.2079 -22.2079 -20.2829 -20.2829 -20.2016 -20.2016 -19.0010 -19.0010 -19.0007 -19.0007 -7.0126 -7.0126 -6.9454 -6.9454 -6.2323 -6.2323 -6.1675 -6.1675 -6.0394 -6.0394 -5.9226 -5.9226 -4.4916 -4.4916 -4.0416 -4.0416 -1.0020 -1.0020 -0.8708 -0.8708 -0.8586 -0.8586 -0.7097 -0.7097 -0.3159 -0.3159 -0.0826 -0.0826 -0.0588 -0.0588 -0.0471 -0.0471 -0.0247 -0.0247 0.0858 0.0858 8.4898 8.4898 9.3478 9.3478 10.4100 10.4100 11.1864 11.1864 11.3717 11.3717 k = 0.3182 0.3657-0.0000 ( 5076 PWs) bands (ev): -22.2289 -22.2289 -22.2105 -22.2105 -20.2852 -20.2852 -20.2021 -20.2021 -19.0014 -19.0014 -19.0011 -19.0011 -7.0100 -7.0100 -6.9532 -6.9532 -6.2324 -6.2324 -6.1758 -6.1758 -6.0142 -6.0142 -5.9185 -5.9185 -4.4909 -4.4909 -4.0357 -4.0357 -1.0224 -1.0224 -0.8701 -0.8701 -0.8587 -0.8587 -0.7004 -0.7004 -0.3341 -0.3341 -0.0843 -0.0843 -0.0623 -0.0623 -0.0497 -0.0497 -0.0267 -0.0267 0.0871 0.0871 8.5794 8.5794 9.3134 9.3134 10.4173 10.4173 11.2484 11.2484 11.2508 11.2508 k = 0.3295 0.3787-0.0000 ( 5080 PWs) bands (ev): -22.2245 -22.2245 -22.2130 -22.2130 -20.2874 -20.2874 -20.2026 -20.2026 -19.0018 -19.0018 -19.0014 -19.0014 -7.0094 -7.0094 -6.9594 -6.9594 -6.2325 -6.2325 -6.1835 -6.1835 -5.9889 -5.9889 -5.9147 -5.9147 -4.4902 -4.4902 -4.0300 -4.0300 -1.0422 -1.0422 -0.8693 -0.8693 -0.8588 -0.8588 -0.6914 -0.6914 -0.3521 -0.3521 -0.0860 -0.0860 -0.0658 -0.0658 -0.0523 -0.0523 -0.0286 -0.0286 0.0883 0.0883 8.6687 8.6687 9.2806 9.2806 10.4246 10.4246 11.1360 11.1360 11.3018 11.3018 k = 0.3409 0.3918-0.0000 ( 5120 PWs) bands (ev): -22.2203 -22.2203 -22.2154 -22.2154 -20.2896 -20.2896 -20.2030 -20.2030 -19.0021 -19.0021 -19.0018 -19.0018 -7.0115 -7.0115 -6.9634 -6.9634 -6.2324 -6.2324 -6.1907 -6.1907 -5.9638 -5.9638 -5.9110 -5.9110 -4.4896 -4.4896 -4.0248 -4.0248 -1.0610 -1.0610 -0.8686 -0.8686 -0.8588 -0.8588 -0.6827 -0.6827 -0.3697 -0.3697 -0.0877 -0.0877 -0.0693 -0.0693 -0.0548 -0.0548 -0.0304 -0.0304 0.0895 0.0895 8.7576 8.7576 9.2493 9.2493 10.4319 10.4319 11.0282 11.0282 11.3456 11.3456 k = 0.3523 0.4049-0.0000 ( 5112 PWs) bands (ev): -22.2177 -22.2177 -22.2162 -22.2162 -20.2916 -20.2916 -20.2034 -20.2034 -19.0025 -19.0025 -19.0021 -19.0021 -7.0161 -7.0161 -6.9651 -6.9651 -6.2323 -6.2323 -6.1971 -6.1971 -5.9393 -5.9393 -5.9076 -5.9076 -4.4889 -4.4889 -4.0198 -4.0198 -1.0789 -1.0789 -0.8679 -0.8679 -0.8587 -0.8587 -0.6744 -0.6744 -0.3867 -0.3867 -0.0893 -0.0893 -0.0728 -0.0728 -0.0572 -0.0572 -0.0320 -0.0320 0.0907 0.0907 8.8454 8.8454 9.2198 9.2198 10.4391 10.4391 10.9272 10.9272 11.3797 11.3797 k = 0.3636 0.4179-0.0000 ( 5112 PWs) bands (ev): -22.2198 -22.2198 -22.2123 -22.2123 -20.2936 -20.2936 -20.2038 -20.2038 -19.0028 -19.0028 -19.0024 -19.0024 -7.0225 -7.0225 -6.9651 -6.9651 -6.2322 -6.2322 -6.2029 -6.2029 -5.9154 -5.9154 -5.9045 -5.9045 -4.4883 -4.4883 -4.0151 -4.0151 -1.0957 -1.0957 -0.8672 -0.8672 -0.8587 -0.8587 -0.6665 -0.6665 -0.4032 -0.4032 -0.0909 -0.0909 -0.0761 -0.0761 -0.0594 -0.0594 -0.0335 -0.0335 0.0918 0.0918 8.9318 8.9318 9.1921 9.1921 10.4461 10.4461 10.8332 10.8332 11.4040 11.4040 k = 0.3750 0.4310-0.0000 ( 5112 PWs) bands (ev): -22.2219 -22.2219 -22.2087 -22.2087 -20.2955 -20.2955 -20.2042 -20.2042 -19.0031 -19.0031 -19.0027 -19.0027 -7.0300 -7.0300 -6.9640 -6.9640 -6.2320 -6.2320 -6.2081 -6.2081 -5.9015 -5.9015 -5.8926 -5.8926 -4.4877 -4.4877 -4.0108 -4.0108 -1.1115 -1.1115 -0.8665 -0.8665 -0.8586 -0.8586 -0.6591 -0.6591 -0.4189 -0.4189 -0.0924 -0.0924 -0.0794 -0.0794 -0.0614 -0.0614 -0.0348 -0.0348 0.0929 0.0929 9.0162 9.0162 9.1664 9.1664 10.4528 10.4528 10.7463 10.7463 11.4190 11.4190 k = 0.3864 0.4440-0.0000 ( 5112 PWs) bands (ev): -22.2237 -22.2237 -22.2053 -22.2053 -20.2973 -20.2973 -20.2045 -20.2045 -19.0034 -19.0034 -19.0030 -19.0030 -7.0379 -7.0379 -6.9624 -6.9624 -6.2317 -6.2317 -6.2126 -6.2126 -5.8988 -5.8988 -5.8709 -5.8709 -4.4872 -4.4872 -4.0068 -4.0068 -1.1261 -1.1261 -0.8658 -0.8658 -0.8585 -0.8585 -0.6521 -0.6521 -0.4337 -0.4337 -0.0939 -0.0939 -0.0825 -0.0825 -0.0633 -0.0633 -0.0360 -0.0360 0.0938 0.0938 9.0981 9.0981 9.1426 9.1426 10.4593 10.4593 10.6666 10.6666 11.4253 11.4253 k = 0.3977 0.4571-0.0000 ( 5112 PWs) bands (ev): -22.2255 -22.2255 -22.2021 -22.2021 -20.2989 -20.2989 -20.2048 -20.2048 -19.0036 -19.0036 -19.0033 -19.0033 -7.0457 -7.0457 -6.9606 -6.9606 -6.2315 -6.2315 -6.2166 -6.2166 -5.8964 -5.8964 -5.8507 -5.8507 -4.4866 -4.4866 -4.0032 -4.0032 -1.1394 -1.1394 -0.8651 -0.8651 -0.8584 -0.8584 -0.6457 -0.6457 -0.4476 -0.4476 -0.0952 -0.0952 -0.0854 -0.0854 -0.0650 -0.0650 -0.0371 -0.0371 0.0947 0.0947 9.1208 9.1208 9.1767 9.1767 10.4653 10.4653 10.5942 10.5942 11.4241 11.4241 k = 0.4091 0.4702-0.0000 ( 5120 PWs) bands (ev): -22.2271 -22.2271 -22.1992 -22.1992 -20.3004 -20.3004 -20.2051 -20.2051 -19.0039 -19.0039 -19.0035 -19.0035 -7.0532 -7.0532 -6.9588 -6.9588 -6.2313 -6.2313 -6.2200 -6.2200 -5.8942 -5.8942 -5.8320 -5.8320 -4.4862 -4.4862 -4.0000 -4.0000 -1.1515 -1.1515 -0.8646 -0.8646 -0.8582 -0.8582 -0.6400 -0.6400 -0.4604 -0.4604 -0.0965 -0.0965 -0.0881 -0.0881 -0.0665 -0.0665 -0.0381 -0.0381 0.0956 0.0956 9.1012 9.1012 9.2514 9.2514 10.4710 10.4710 10.5292 10.5292 11.4165 11.4165 k = 0.4205 0.4832-0.0000 ( 5100 PWs) bands (ev): -22.2285 -22.2285 -22.1966 -22.1966 -20.3017 -20.3017 -20.2054 -20.2054 -19.0041 -19.0041 -19.0037 -19.0037 -7.0601 -7.0601 -6.9572 -6.9572 -6.2310 -6.2310 -6.2229 -6.2229 -5.8922 -5.8922 -5.8150 -5.8150 -4.4858 -4.4858 -3.9971 -3.9971 -1.1622 -1.1622 -0.8640 -0.8640 -0.8581 -0.8581 -0.6347 -0.6347 -0.4719 -0.4719 -0.0977 -0.0977 -0.0905 -0.0905 -0.0678 -0.0678 -0.0389 -0.0389 0.0963 0.0963 9.0838 9.0838 9.3211 9.3211 10.4716 10.4716 10.4761 10.4761 11.4040 11.4040 k = 0.4318 0.4963-0.0000 ( 5100 PWs) bands (ev): -22.2297 -22.2297 -22.1944 -22.1944 -20.3028 -20.3028 -20.2056 -20.2056 -19.0043 -19.0043 -19.0039 -19.0039 -7.0664 -7.0664 -6.9556 -6.9556 -6.2308 -6.2308 -6.2254 -6.2254 -5.8906 -5.8906 -5.8000 -5.8000 -4.4854 -4.4854 -3.9946 -3.9946 -1.1716 -1.1716 -0.8635 -0.8635 -0.8580 -0.8580 -0.6302 -0.6302 -0.4822 -0.4822 -0.0988 -0.0988 -0.0927 -0.0927 -0.0689 -0.0689 -0.0396 -0.0396 0.0969 0.0969 9.0686 9.0686 9.3850 9.3850 10.4216 10.4216 10.4807 10.4807 11.3882 11.3882 k = 0.4432 0.5093-0.0000 ( 5100 PWs) bands (ev): -22.2308 -22.2308 -22.1924 -22.1924 -20.3038 -20.3038 -20.2058 -20.2058 -19.0044 -19.0044 -19.0040 -19.0040 -7.0718 -7.0718 -6.9543 -6.9543 -6.2306 -6.2306 -6.2274 -6.2274 -5.8891 -5.8891 -5.7871 -5.7871 -4.4851 -4.4851 -3.9925 -3.9925 -1.1796 -1.1796 -0.8630 -0.8630 -0.8578 -0.8578 -0.6263 -0.6263 -0.4910 -0.4910 -0.0997 -0.0997 -0.0946 -0.0946 -0.0699 -0.0699 -0.0402 -0.0402 0.0975 0.0975 9.0557 9.0557 9.4420 9.4420 10.3792 10.3792 10.4847 10.4847 11.3709 11.3709 k = 0.4545 0.5224-0.0000 ( 5100 PWs) bands (ev): -22.2316 -22.2316 -22.1908 -22.1908 -20.3047 -20.3047 -20.2060 -20.2060 -19.0046 -19.0046 -19.0042 -19.0042 -7.0764 -7.0764 -6.9532 -6.9532 -6.2304 -6.2304 -6.2290 -6.2290 -5.8880 -5.8880 -5.7763 -5.7763 -4.4848 -4.4848 -3.9908 -3.9908 -1.1862 -1.1862 -0.8627 -0.8627 -0.8577 -0.8577 -0.6231 -0.6231 -0.4984 -0.4984 -0.1005 -0.1005 -0.0962 -0.0962 -0.0707 -0.0707 -0.0407 -0.0407 0.0980 0.0980 9.0451 9.0451 9.4908 9.4908 10.3444 10.3444 10.4880 10.4880 11.3536 11.3536 k = 0.4659 0.5355-0.0000 ( 5108 PWs) bands (ev): -22.2323 -22.2323 -22.1896 -22.1896 -20.3053 -20.3053 -20.2061 -20.2061 -19.0047 -19.0047 -19.0043 -19.0043 -7.0800 -7.0800 -6.9524 -6.9524 -6.2303 -6.2303 -6.2302 -6.2302 -5.8870 -5.8870 -5.7678 -5.7678 -4.4846 -4.4846 -3.9895 -3.9895 -1.1914 -1.1914 -0.8624 -0.8624 -0.8577 -0.8577 -0.6205 -0.6205 -0.5042 -0.5042 -0.1011 -0.1011 -0.0974 -0.0974 -0.0713 -0.0713 -0.0411 -0.0411 0.0983 0.0983 9.0368 9.0368 9.5303 9.5303 10.3173 10.3173 10.4906 10.4906 11.3381 11.3381 k = 0.4773 0.5485-0.0000 ( 5092 PWs) bands (ev): -22.2328 -22.2328 -22.1887 -22.1887 -20.3058 -20.3058 -20.2062 -20.2062 -19.0047 -19.0047 -19.0043 -19.0043 -7.0826 -7.0826 -6.9518 -6.9518 -6.2312 -6.2312 -6.2301 -6.2301 -5.8864 -5.8864 -5.7616 -5.7616 -4.4845 -4.4845 -3.9885 -3.9885 -1.1950 -1.1950 -0.8622 -0.8622 -0.8576 -0.8576 -0.6187 -0.6187 -0.5084 -0.5084 -0.1015 -0.1015 -0.0983 -0.0983 -0.0717 -0.0717 -0.0414 -0.0414 0.0986 0.0986 9.0309 9.0309 9.5595 9.5595 10.2980 10.2980 10.4925 10.4925 11.3258 11.3258 k = 0.4886 0.5616-0.0000 ( 5096 PWs) bands (ev): -22.2331 -22.2331 -22.1881 -22.1881 -20.3061 -20.3061 -20.2062 -20.2062 -19.0048 -19.0048 -19.0044 -19.0044 -7.0842 -7.0842 -6.9514 -6.9514 -6.2317 -6.2317 -6.2301 -6.2301 -5.8860 -5.8860 -5.7579 -5.7579 -4.4844 -4.4844 -3.9879 -3.9879 -1.1972 -1.1972 -0.8621 -0.8621 -0.8576 -0.8576 -0.6176 -0.6176 -0.5109 -0.5109 -0.1018 -0.1018 -0.0988 -0.0988 -0.0720 -0.0720 -0.0416 -0.0416 0.0987 0.0987 9.0273 9.0273 9.5774 9.5774 10.2863 10.2863 10.4937 10.4937 11.3179 11.3179 k = 0.5000 0.5746-0.0000 ( 5088 PWs) bands (ev): -22.2332 -22.2332 -22.1879 -22.1879 -20.3062 -20.3062 -20.2062 -20.2062 -19.0048 -19.0048 -19.0044 -19.0044 -7.0847 -7.0847 -6.9513 -6.9513 -6.2318 -6.2318 -6.2300 -6.2300 -5.8859 -5.8859 -5.7567 -5.7567 -4.4843 -4.4843 -3.9877 -3.9877 -1.1980 -1.1980 -0.8620 -0.8620 -0.8575 -0.8575 -0.6173 -0.6173 -0.5118 -0.5118 -0.1019 -0.1019 -0.0990 -0.0990 -0.0721 -0.0721 -0.0416 -0.0416 0.0988 0.0988 9.0261 9.0261 9.5835 9.5835 10.2825 10.2825 10.4940 10.4940 11.3152 11.3152 k = 0.5000 0.5746-0.0000 ( 5088 PWs) bands (ev): -22.2332 -22.2332 -22.1879 -22.1879 -20.3062 -20.3062 -20.2062 -20.2062 -19.0048 -19.0048 -19.0044 -19.0044 -7.0847 -7.0847 -6.9513 -6.9513 -6.2318 -6.2318 -6.2300 -6.2300 -5.8859 -5.8859 -5.7567 -5.7567 -4.4843 -4.4843 -3.9877 -3.9877 -1.1980 -1.1980 -0.8620 -0.8620 -0.8575 -0.8575 -0.6173 -0.6173 -0.5118 -0.5118 -0.1019 -0.1019 -0.0990 -0.0990 -0.0721 -0.0721 -0.0416 -0.0416 0.0988 0.0988 9.0261 9.0261 9.5835 9.5835 10.2825 10.2825 10.4940 10.4940 11.3152 11.3152 k = 0.4915 0.5820 0.0113 ( 5096 PWs) bands (ev): -22.2332 -22.2332 -22.1879 -22.1879 -20.3061 -20.3061 -20.2063 -20.2063 -19.0048 -19.0048 -19.0043 -19.0043 -7.0849 -7.0849 -6.9511 -6.9511 -6.2339 -6.2339 -6.2281 -6.2281 -5.8862 -5.8862 -5.7567 -5.7567 -4.4841 -4.4841 -3.9881 -3.9881 -1.1973 -1.1973 -0.8622 -0.8622 -0.8575 -0.8575 -0.6173 -0.6173 -0.5105 -0.5105 -0.1019 -0.1019 -0.0990 -0.0990 -0.0723 -0.0723 -0.0419 -0.0419 0.0985 0.0985 9.0273 9.0273 9.5848 9.5848 10.2818 10.2818 10.4955 10.4955 11.3106 11.3106 k = 0.4830 0.5894 0.0225 ( 5094 PWs) bands (ev): -22.2334 -22.2334 -22.1879 -22.1879 -20.3058 -20.3058 -20.2066 -20.2066 -19.0047 -19.0047 -19.0042 -19.0042 -7.0853 -7.0853 -6.9508 -6.9508 -6.2366 -6.2366 -6.2256 -6.2256 -5.8870 -5.8870 -5.7569 -5.7569 -4.4833 -4.4833 -3.9892 -3.9892 -1.1953 -1.1953 -0.8636 -0.8636 -0.8568 -0.8568 -0.6175 -0.6175 -0.5067 -0.5067 -0.1022 -0.1022 -0.0989 -0.0989 -0.0730 -0.0730 -0.0426 -0.0426 0.0975 0.0975 9.0309 9.0309 9.5887 9.5887 10.2796 10.2796 10.4999 10.4999 11.2973 11.2973 k = 0.4745 0.5968 0.0338 ( 5092 PWs) bands (ev): -22.2336 -22.2336 -22.1877 -22.1877 -20.3054 -20.3054 -20.2071 -20.2071 -19.0046 -19.0046 -19.0039 -19.0039 -7.0859 -7.0859 -6.9502 -6.9502 -6.2395 -6.2395 -6.2230 -6.2230 -5.8884 -5.8884 -5.7571 -5.7571 -4.4821 -4.4821 -3.9911 -3.9911 -1.1921 -1.1921 -0.8665 -0.8665 -0.8548 -0.8548 -0.6177 -0.6177 -0.5005 -0.5005 -0.1028 -0.1028 -0.0985 -0.0985 -0.0741 -0.0741 -0.0438 -0.0438 0.0958 0.0958 9.0369 9.0369 9.5953 9.5953 10.2761 10.2761 10.5071 10.5071 11.2763 11.2763 k = 0.4660 0.6042 0.0450 ( 5092 PWs) bands (ev): -22.2340 -22.2340 -22.1876 -22.1876 -20.3048 -20.3048 -20.2077 -20.2077 -19.0046 -19.0046 -19.0035 -19.0035 -7.0868 -7.0868 -6.9495 -6.9495 -6.2426 -6.2426 -6.2205 -6.2205 -5.8904 -5.8904 -5.7574 -5.7574 -4.4803 -4.4803 -3.9937 -3.9937 -1.1875 -1.1875 -0.8708 -0.8708 -0.8515 -0.8515 -0.6179 -0.6179 -0.4922 -0.4922 -0.1041 -0.1041 -0.0976 -0.0976 -0.0757 -0.0757 -0.0454 -0.0454 0.0935 0.0935 9.0451 9.0451 9.6045 9.6045 10.2712 10.2712 10.5173 10.5173 11.2491 11.2491 k = 0.4576 0.6116 0.0563 ( 5084 PWs) bands (ev): -22.2344 -22.2344 -22.1874 -22.1874 -20.3041 -20.3041 -20.2085 -20.2085 -19.0045 -19.0045 -19.0029 -19.0029 -7.0880 -7.0880 -6.9485 -6.9485 -6.2457 -6.2457 -6.2181 -6.2181 -5.8929 -5.8929 -5.7579 -5.7579 -4.4781 -4.4781 -3.9971 -3.9971 -1.1817 -1.1817 -0.8759 -0.8759 -0.8472 -0.8472 -0.6183 -0.6183 -0.4820 -0.4820 -0.1058 -0.1058 -0.0963 -0.0963 -0.0776 -0.0776 -0.0475 -0.0475 0.0905 0.0905 9.0555 9.0555 9.6164 9.6164 10.2648 10.2648 10.5304 10.5304 11.2172 11.2172 k = 0.4491 0.6190 0.0675 ( 5092 PWs) bands (ev): -22.2349 -22.2349 -22.1871 -22.1871 -20.3032 -20.3032 -20.2095 -20.2095 -19.0045 -19.0045 -19.0022 -19.0022 -7.0894 -7.0894 -6.9473 -6.9473 -6.2489 -6.2489 -6.2156 -6.2156 -5.8959 -5.8959 -5.7584 -5.7584 -4.4754 -4.4754 -4.0012 -4.0012 -1.1747 -1.1747 -0.8817 -0.8817 -0.8419 -0.8419 -0.6186 -0.6186 -0.4701 -0.4701 -0.1080 -0.1080 -0.0946 -0.0946 -0.0801 -0.0801 -0.0500 -0.0500 0.0868 0.0868 9.0678 9.0678 9.6308 9.6308 10.2571 10.2571 10.5463 10.5463 11.1820 11.1820 k = 0.4406 0.6264 0.0788 ( 5092 PWs) bands (ev): -22.2356 -22.2356 -22.1868 -22.1868 -20.3021 -20.3021 -20.2106 -20.2106 -19.0044 -19.0044 -19.0014 -19.0014 -7.0909 -7.0909 -6.9459 -6.9459 -6.2523 -6.2523 -6.2132 -6.2132 -5.8995 -5.8995 -5.7590 -5.7590 -4.4723 -4.4723 -4.0060 -4.0060 -1.1665 -1.1665 -0.8878 -0.8878 -0.8356 -0.8356 -0.6190 -0.6190 -0.4569 -0.4569 -0.1106 -0.1106 -0.0928 -0.0928 -0.0829 -0.0829 -0.0528 -0.0528 0.0825 0.0825 9.0819 9.0819 9.6479 9.6479 10.2481 10.2481 10.5651 10.5651 11.1449 11.1449 k = 0.4321 0.6337 0.0900 ( 5090 PWs) bands (ev): -22.2363 -22.2363 -22.1864 -22.1864 -20.3009 -20.3009 -20.2119 -20.2119 -19.0044 -19.0044 -19.0005 -19.0005 -7.0927 -7.0927 -6.9444 -6.9444 -6.2558 -6.2558 -6.2107 -6.2107 -5.9035 -5.9035 -5.7596 -5.7596 -4.4687 -4.4687 -4.0114 -4.0114 -1.1572 -1.1572 -0.8940 -0.8940 -0.8284 -0.8284 -0.6194 -0.6194 -0.4426 -0.4426 -0.1135 -0.1135 -0.0909 -0.0909 -0.0858 -0.0858 -0.0560 -0.0560 0.0776 0.0776 9.0975 9.0975 9.6676 9.6676 10.2378 10.2378 10.5867 10.5867 11.1068 11.1068 k = 0.4236 0.6411 0.1013 ( 5082 PWs) bands (ev): -22.2371 -22.2371 -22.1861 -22.1861 -20.2996 -20.2996 -20.2133 -20.2133 -19.0043 -19.0043 -18.9996 -18.9996 -7.0946 -7.0946 -6.9428 -6.9428 -6.2594 -6.2594 -6.2083 -6.2083 -5.9080 -5.9080 -5.7604 -5.7604 -4.4647 -4.4647 -4.0176 -4.0176 -1.1468 -1.1468 -0.9001 -0.9001 -0.8204 -0.8204 -0.6198 -0.6198 -0.4274 -0.4274 -0.1168 -0.1168 -0.0913 -0.0913 -0.0868 -0.0868 -0.0596 -0.0596 0.0721 0.0721 9.1143 9.1143 9.6899 9.6899 10.2262 10.2262 10.6111 10.6111 11.0686 11.0686 k = 0.4151 0.6485 0.1125 ( 5094 PWs) bands (ev): -22.2380 -22.2380 -22.1856 -22.1856 -20.2981 -20.2981 -20.2148 -20.2148 -19.0042 -19.0042 -18.9985 -18.9985 -7.0966 -7.0966 -6.9410 -6.9410 -6.2631 -6.2631 -6.2058 -6.2058 -5.9130 -5.9130 -5.7613 -5.7613 -4.4604 -4.4604 -4.0244 -4.0244 -1.1355 -1.1355 -0.9060 -0.9060 -0.8115 -0.8115 -0.6201 -0.6201 -0.4116 -0.4116 -0.1204 -0.1204 -0.0948 -0.0948 -0.0847 -0.0847 -0.0634 -0.0634 0.0659 0.0659 9.1318 9.1318 9.7148 9.7148 10.2134 10.2134 10.6383 10.6383 11.0308 11.0308 k = 0.4151 0.6485 0.1125 ( 5094 PWs) bands (ev): -22.2380 -22.2380 -22.1856 -22.1856 -20.2981 -20.2981 -20.2148 -20.2148 -19.0042 -19.0042 -18.9985 -18.9985 -7.0966 -7.0966 -6.9410 -6.9410 -6.2631 -6.2631 -6.2058 -6.2058 -5.9130 -5.9130 -5.7613 -5.7613 -4.4604 -4.4604 -4.0244 -4.0244 -1.1355 -1.1355 -0.9060 -0.9060 -0.8115 -0.8115 -0.6201 -0.6201 -0.4116 -0.4116 -0.1204 -0.1204 -0.0948 -0.0948 -0.0847 -0.0847 -0.0634 -0.0634 0.0659 0.0659 9.1318 9.1318 9.7148 9.7148 10.2134 10.2134 10.6383 10.6383 11.0308 11.0308 k = 0.4003 0.6434 0.1203 ( 5098 PWs) bands (ev): -22.2387 -22.2387 -22.1854 -22.1854 -20.2969 -20.2969 -20.2159 -20.2159 -19.0041 -19.0041 -18.9977 -18.9977 -7.0978 -7.0978 -6.9398 -6.9398 -6.2657 -6.2657 -6.2040 -6.2040 -5.9168 -5.9168 -5.7627 -5.7627 -4.4572 -4.4572 -4.0296 -4.0296 -1.1268 -1.1268 -0.9095 -0.9095 -0.8048 -0.8048 -0.6206 -0.6206 -0.4000 -0.4000 -0.1230 -0.1230 -0.0979 -0.0979 -0.0827 -0.0827 -0.0661 -0.0661 0.0614 0.0614 9.1449 9.1449 9.7295 9.7295 10.2062 10.2062 10.6585 10.6585 11.0079 11.0079 k = 0.3855 0.6382 0.1282 ( 5097 PWs) bands (ev): -22.2392 -22.2392 -22.1854 -22.1854 -20.2956 -20.2956 -20.2170 -20.2170 -19.0040 -19.0040 -18.9969 -18.9969 -7.0984 -7.0984 -6.9387 -6.9387 -6.2681 -6.2681 -6.2022 -6.2022 -5.9209 -5.9209 -5.7656 -5.7656 -4.4538 -4.4538 -4.0353 -4.0353 -1.1170 -1.1170 -0.9124 -0.9124 -0.7977 -0.7977 -0.6214 -0.6214 -0.3880 -0.3880 -0.1257 -0.1257 -0.1013 -0.1013 -0.0804 -0.0804 -0.0686 -0.0686 0.0566 0.0566 9.1593 9.1593 9.7372 9.7372 10.2033 10.2033 10.6793 10.6793 10.9917 10.9917 k = 0.3706 0.6331 0.1360 ( 5098 PWs) bands (ev): -22.2397 -22.2397 -22.1855 -22.1855 -20.2941 -20.2941 -20.2182 -20.2182 -19.0039 -19.0039 -18.9961 -18.9961 -7.0983 -7.0983 -6.9376 -6.9376 -6.2703 -6.2703 -6.2002 -6.2002 -5.9255 -5.9255 -5.7700 -5.7700 -4.4502 -4.4502 -4.0414 -4.0414 -1.1063 -1.1063 -0.9143 -0.9143 -0.7901 -0.7901 -0.6227 -0.6227 -0.3755 -0.3755 -0.1284 -0.1284 -0.1048 -0.1048 -0.0785 -0.0785 -0.0705 -0.0705 0.0515 0.0515 9.1748 9.1748 9.7379 9.7379 10.2046 10.2046 10.7007 10.7007 10.9825 10.9825 k = 0.3558 0.6280 0.1438 ( 5100 PWs) bands (ev): -22.2401 -22.2401 -22.1859 -22.1859 -20.2925 -20.2925 -20.2193 -20.2193 -19.0037 -19.0037 -18.9953 -18.9953 -7.0977 -7.0977 -6.9367 -6.9367 -6.2724 -6.2724 -6.1982 -6.1982 -5.9303 -5.9303 -5.7759 -5.7759 -4.4465 -4.4465 -4.0480 -4.0480 -1.0949 -1.0949 -0.9153 -0.9153 -0.7821 -0.7821 -0.6243 -0.6243 -0.3628 -0.3628 -0.1311 -0.1311 -0.1085 -0.1085 -0.0785 -0.0785 -0.0702 -0.0702 0.0464 0.0464 9.1912 9.1912 9.7320 9.7320 10.2102 10.2102 10.7226 10.7226 10.9803 10.9803 k = 0.3410 0.6229 0.1516 ( 5097 PWs) bands (ev): -22.2404 -22.2404 -22.1864 -22.1864 -20.2907 -20.2907 -20.2205 -20.2205 -19.0035 -19.0035 -18.9944 -18.9944 -7.0964 -7.0964 -6.9359 -6.9359 -6.2742 -6.2742 -6.1961 -6.1961 -5.9355 -5.9355 -5.7831 -5.7831 -4.4426 -4.4426 -4.0550 -4.0550 -1.0829 -1.0829 -0.9153 -0.9153 -0.7737 -0.7737 -0.6263 -0.6263 -0.3500 -0.3500 -0.1341 -0.1341 -0.1124 -0.1124 -0.0805 -0.0805 -0.0676 -0.0676 0.0411 0.0411 9.2081 9.2081 9.7200 9.7200 10.2200 10.2200 10.7449 10.7449 10.9850 10.9850 k = 0.3262 0.6177 0.1594 ( 5103 PWs) bands (ev): -22.2406 -22.2406 -22.1871 -22.1871 -20.2889 -20.2889 -20.2216 -20.2216 -19.0033 -19.0033 -18.9936 -18.9936 -7.0946 -7.0946 -6.9352 -6.9352 -6.2758 -6.2758 -6.1938 -6.1938 -5.9410 -5.9410 -5.7918 -5.7918 -4.4385 -4.4385 -4.0624 -4.0624 -1.0704 -1.0704 -0.9143 -0.9143 -0.7648 -0.7648 -0.6286 -0.6286 -0.3373 -0.3373 -0.1371 -0.1371 -0.1163 -0.1163 -0.0833 -0.0833 -0.0640 -0.0640 0.0358 0.0358 9.2253 9.2253 9.7029 9.7029 10.2340 10.2340 10.7676 10.7676 10.9961 10.9961 k = 0.3113 0.6126 0.1672 ( 5101 PWs) bands (ev): -22.2407 -22.2407 -22.1879 -22.1879 -20.2870 -20.2870 -20.2228 -20.2228 -19.0030 -19.0030 -18.9928 -18.9928 -7.0922 -7.0922 -6.9346 -6.9346 -6.2771 -6.2771 -6.1915 -6.1915 -5.9468 -5.9468 -5.8017 -5.8017 -4.4341 -4.4341 -4.0702 -4.0702 -1.0575 -1.0575 -0.9121 -0.9121 -0.7555 -0.7555 -0.6313 -0.6313 -0.3247 -0.3247 -0.1404 -0.1404 -0.1203 -0.1203 -0.0864 -0.0864 -0.0600 -0.0600 0.0305 0.0305 9.2425 9.2425 9.6814 9.6814 10.2522 10.2522 10.7904 10.7904 11.0129 11.0129 k = 0.2965 0.6075 0.1751 ( 5107 PWs) bands (ev): -22.2407 -22.2407 -22.1889 -22.1889 -20.2850 -20.2850 -20.2239 -20.2239 -19.0027 -19.0027 -18.9920 -18.9920 -7.0892 -7.0892 -6.9342 -6.9342 -6.2781 -6.2781 -6.1889 -6.1889 -5.9529 -5.9529 -5.8128 -5.8128 -4.4296 -4.4296 -4.0783 -4.0783 -1.0444 -1.0444 -0.9089 -0.9089 -0.7459 -0.7459 -0.6342 -0.6342 -0.3124 -0.3124 -0.1438 -0.1438 -0.1243 -0.1243 -0.0897 -0.0897 -0.0557 -0.0557 0.0254 0.0254 9.2593 9.2593 9.6565 9.6565 10.2746 10.2746 10.8135 10.8135 11.0348 11.0348 k = 0.2817 0.6023 0.1829 ( 5101 PWs) bands (ev): -22.2407 -22.2407 -22.1900 -22.1900 -20.2829 -20.2829 -20.2251 -20.2251 -19.0023 -19.0023 -18.9912 -18.9912 -7.0857 -7.0857 -6.9339 -6.9339 -6.2787 -6.2787 -6.1863 -6.1863 -5.9593 -5.9593 -5.8251 -5.8251 -4.4247 -4.4247 -4.0867 -4.0867 -1.0312 -1.0312 -0.9046 -0.9046 -0.7360 -0.7360 -0.6373 -0.6373 -0.3004 -0.3004 -0.1476 -0.1476 -0.1284 -0.1284 -0.0930 -0.0930 -0.0513 -0.0513 0.0204 0.0204 9.2754 9.2754 9.6293 9.6293 10.3011 10.3011 10.8367 10.8367 11.0611 11.0611 k = 0.2669 0.5972 0.1907 ( 5100 PWs) bands (ev): -22.2405 -22.2405 -22.1912 -22.1912 -20.2808 -20.2808 -20.2262 -20.2262 -19.0019 -19.0019 -18.9905 -18.9905 -7.0817 -7.0817 -6.9338 -6.9338 -6.2789 -6.2789 -6.1834 -6.1834 -5.9661 -5.9661 -5.8383 -5.8383 -4.4197 -4.4197 -4.0954 -4.0954 -1.0180 -1.0180 -0.8994 -0.8994 -0.7259 -0.7259 -0.6406 -0.6406 -0.2887 -0.2887 -0.1516 -0.1516 -0.1325 -0.1325 -0.0964 -0.0964 -0.0468 -0.0468 0.0158 0.0158 9.2904 9.2904 9.6004 9.6004 10.3317 10.3317 10.8599 10.8599 11.0910 11.0910 k = 0.2520 0.5921 0.1985 ( 5099 PWs) bands (ev): -22.2403 -22.2403 -22.1926 -22.1926 -20.2786 -20.2786 -20.2273 -20.2273 -19.0014 -19.0014 -18.9898 -18.9898 -7.0773 -7.0773 -6.9338 -6.9338 -6.2786 -6.2786 -6.1804 -6.1804 -5.9730 -5.9730 -5.8526 -5.8526 -4.4143 -4.4143 -4.1044 -4.1044 -1.0049 -1.0049 -0.8932 -0.8932 -0.7158 -0.7158 -0.6439 -0.6439 -0.2776 -0.2776 -0.1559 -0.1559 -0.1367 -0.1367 -0.0997 -0.0997 -0.0423 -0.0423 0.0115 0.0115 9.3041 9.3041 9.5708 9.5708 10.3662 10.3662 10.8832 10.8832 11.1239 11.1239 k = 0.2372 0.5869 0.2063 ( 5095 PWs) bands (ev): -22.2400 -22.2400 -22.1940 -22.1940 -20.2764 -20.2764 -20.2284 -20.2284 -19.0009 -19.0009 -18.9892 -18.9892 -7.0724 -7.0724 -6.9340 -6.9340 -6.2779 -6.2779 -6.1771 -6.1771 -5.9803 -5.9803 -5.8676 -5.8676 -4.4087 -4.4087 -4.1137 -4.1137 -0.9919 -0.9919 -0.8862 -0.8862 -0.7059 -0.7059 -0.6471 -0.6471 -0.2670 -0.2670 -0.1605 -0.1605 -0.1409 -0.1409 -0.1031 -0.1031 -0.0379 -0.0379 0.0077 0.0077 9.3162 9.3162 9.5411 9.5411 10.4045 10.4045 10.9064 10.9064 11.1592 11.1592 k = 0.2224 0.5818 0.2141 ( 5101 PWs) bands (ev): -22.2396 -22.2396 -22.1956 -22.1956 -20.2743 -20.2743 -20.2295 -20.2295 -19.0004 -19.0004 -18.9887 -18.9887 -7.0671 -7.0671 -6.9344 -6.9344 -6.2766 -6.2766 -6.1737 -6.1737 -5.9878 -5.9878 -5.8834 -5.8834 -4.4028 -4.4028 -4.1232 -4.1232 -0.9792 -0.9792 -0.8786 -0.8786 -0.6964 -0.6964 -0.6499 -0.6499 -0.2569 -0.2569 -0.1652 -0.1652 -0.1453 -0.1453 -0.1063 -0.1063 -0.0337 -0.0337 0.0045 0.0045 9.3265 9.3265 9.5119 9.5119 10.4465 10.4465 10.9297 10.9297 11.1964 11.1964 k = 0.2076 0.5767 0.2220 ( 5102 PWs) bands (ev): -22.2391 -22.2391 -22.1972 -22.1972 -20.2721 -20.2721 -20.2306 -20.2306 -18.9998 -18.9998 -18.9882 -18.9882 -7.0615 -7.0615 -6.9350 -6.9350 -6.2746 -6.2746 -6.1700 -6.1700 -5.9956 -5.9956 -5.8997 -5.8997 -4.3966 -4.3966 -4.1329 -4.1329 -0.9667 -0.9667 -0.8704 -0.8704 -0.6880 -0.6880 -0.6518 -0.6518 -0.2474 -0.2474 -0.1702 -0.1702 -0.1497 -0.1497 -0.1095 -0.1095 -0.0298 -0.0298 0.0019 0.0019 9.3347 9.3347 9.4836 9.4836 10.4919 10.4919 10.9530 10.9530 11.2348 11.2348 k = 0.1927 0.5715 0.2298 ( 5096 PWs) bands (ev): -22.2385 -22.2385 -22.1989 -22.1989 -20.2699 -20.2699 -20.2317 -20.2317 -18.9992 -18.9992 -18.9878 -18.9878 -7.0555 -7.0555 -6.9358 -6.9358 -6.2721 -6.2721 -6.1661 -6.1661 -6.0036 -6.0036 -5.9164 -5.9164 -4.3900 -4.3900 -4.1428 -4.1428 -0.9546 -0.9546 -0.8618 -0.8618 -0.6816 -0.6816 -0.6521 -0.6521 -0.2386 -0.2386 -0.1752 -0.1752 -0.1543 -0.1543 -0.1125 -0.1125 -0.0263 -0.0263 0.0000 0.0000 9.3408 9.3408 9.4566 9.4566 10.5405 10.5405 10.9766 10.9766 11.2738 11.2738 k = 0.1779 0.5664 0.2376 ( 5099 PWs) bands (ev): -22.2378 -22.2378 -22.2007 -22.2007 -20.2678 -20.2678 -20.2327 -20.2327 -18.9985 -18.9985 -18.9875 -18.9875 -7.0494 -7.0494 -6.9369 -6.9369 -6.2688 -6.2688 -6.1620 -6.1620 -6.0120 -6.0120 -5.9334 -5.9334 -4.3831 -4.3831 -4.1528 -4.1528 -0.9427 -0.9427 -0.8531 -0.8531 -0.6780 -0.6780 -0.6497 -0.6497 -0.2305 -0.2305 -0.1802 -0.1802 -0.1588 -0.1588 -0.1154 -0.1154 -0.0232 -0.0232 -0.0012 -0.0012 9.3448 9.3448 9.4313 9.4313 10.5918 10.5918 11.0004 11.0004 11.2971 11.2971 k = 0.1631 0.5613 0.2454 ( 5094 PWs) bands (ev): -22.2370 -22.2370 -22.2025 -22.2025 -20.2657 -20.2657 -20.2338 -20.2338 -18.9978 -18.9978 -18.9872 -18.9872 -7.0430 -7.0430 -6.9382 -6.9382 -6.2648 -6.2648 -6.1576 -6.1576 -6.0207 -6.0207 -5.9504 -5.9504 -4.3760 -4.3760 -4.1630 -4.1630 -0.9312 -0.9312 -0.8445 -0.8445 -0.6771 -0.6771 -0.6451 -0.6451 -0.2232 -0.2232 -0.1850 -0.1850 -0.1633 -0.1633 -0.1182 -0.1182 -0.0207 -0.0207 -0.0016 -0.0016 9.3466 9.3466 9.4079 9.4079 10.6455 10.6455 11.0249 11.0249 11.2944 11.2944 k = 0.1483 0.5562 0.2532 ( 5097 PWs) bands (ev): -22.2361 -22.2361 -22.2044 -22.2044 -20.2637 -20.2637 -20.2349 -20.2349 -18.9971 -18.9971 -18.9871 -18.9871 -7.0364 -7.0364 -6.9398 -6.9398 -6.2599 -6.2599 -6.1530 -6.1530 -6.0299 -6.0299 -5.9673 -5.9673 -4.3685 -4.3685 -4.1734 -4.1734 -0.9200 -0.9200 -0.8363 -0.8363 -0.6774 -0.6774 -0.6395 -0.6395 -0.2170 -0.2170 -0.1895 -0.1895 -0.1674 -0.1674 -0.1209 -0.1209 -0.0187 -0.0187 -0.0014 -0.0014 9.3465 9.3465 9.3866 9.3866 10.7009 10.7009 11.0503 11.0503 11.2971 11.2971 k = 0.1334 0.5510 0.2610 ( 5093 PWs) bands (ev): -22.2351 -22.2351 -22.2063 -22.2063 -20.2617 -20.2617 -20.2359 -20.2359 -18.9964 -18.9964 -18.9870 -18.9870 -7.0298 -7.0298 -6.9417 -6.9417 -6.2543 -6.2543 -6.1482 -6.1482 -6.0395 -6.0395 -5.9838 -5.9838 -4.3606 -4.3606 -4.1838 -4.1838 -0.9092 -0.9092 -0.8289 -0.8289 -0.6778 -0.6778 -0.6342 -0.6342 -0.2122 -0.2122 -0.1934 -0.1934 -0.1708 -0.1708 -0.1236 -0.1236 -0.0170 -0.0170 -0.0008 -0.0008 9.3446 9.3446 9.3676 9.3676 10.7572 10.7572 11.0771 11.0771 11.3046 11.3046 k = 0.1186 0.5459 0.2689 ( 5101 PWs) bands (ev): -22.2341 -22.2341 -22.2082 -22.2082 -20.2598 -20.2598 -20.2370 -20.2370 -18.9956 -18.9956 -18.9870 -18.9870 -7.0231 -7.0231 -6.9439 -6.9439 -6.2477 -6.2477 -6.1433 -6.1433 -6.0499 -6.0499 -5.9995 -5.9995 -4.3525 -4.3525 -4.1943 -4.1943 -0.8987 -0.8987 -0.8225 -0.8225 -0.6776 -0.6776 -0.6296 -0.6296 -0.2097 -0.2097 -0.1961 -0.1961 -0.1731 -0.1731 -0.1263 -0.1263 -0.0155 -0.0155 0.0000 0.0000 9.3412 9.3412 9.3510 9.3510 10.8136 10.8136 11.1059 11.1059 11.3157 11.3157 k = 0.1038 0.5408 0.2767 ( 5100 PWs) bands (ev): -22.2329 -22.2329 -22.2101 -22.2101 -20.2579 -20.2579 -20.2381 -20.2381 -18.9949 -18.9949 -18.9871 -18.9871 -7.0165 -7.0165 -6.9465 -6.9465 -6.2403 -6.2403 -6.1382 -6.1382 -6.0610 -6.0610 -6.0142 -6.0142 -4.3441 -4.3441 -4.2048 -4.2048 -0.8886 -0.8886 -0.8177 -0.8177 -0.6763 -0.6763 -0.6262 -0.6262 -0.2098 -0.2098 -0.1978 -0.1978 -0.1737 -0.1737 -0.1289 -0.1289 -0.0140 -0.0140 0.0008 0.0008 9.3362 9.3362 9.3372 9.3372 10.8686 10.8686 11.1375 11.1375 11.3207 11.3207 k = 0.0890 0.5356 0.2845 ( 5097 PWs) bands (ev): -22.2317 -22.2317 -22.2120 -22.2120 -20.2561 -20.2561 -20.2392 -20.2392 -18.9941 -18.9941 -18.9873 -18.9873 -7.0099 -7.0099 -6.9493 -6.9493 -6.2320 -6.2320 -6.1332 -6.1332 -6.0727 -6.0727 -6.0276 -6.0276 -4.3354 -4.3354 -4.2154 -4.2154 -0.8788 -0.8788 -0.8145 -0.8145 -0.6738 -0.6738 -0.6241 -0.6241 -0.2113 -0.2113 -0.1996 -0.1996 -0.1722 -0.1722 -0.1317 -0.1317 -0.0125 -0.0125 0.0013 0.0013 9.3249 9.3249 9.3313 9.3313 10.9210 10.9210 11.1724 11.1724 11.3036 11.3036 k = 0.0741 0.5305 0.2923 ( 5097 PWs) bands (ev): -22.2304 -22.2304 -22.2138 -22.2138 -20.2543 -20.2543 -20.2404 -20.2404 -18.9934 -18.9934 -18.9876 -18.9876 -7.0034 -7.0034 -6.9526 -6.9526 -6.2228 -6.2228 -6.1288 -6.1288 -6.0845 -6.0845 -6.0397 -6.0397 -4.3264 -4.3264 -4.2260 -4.2260 -0.8694 -0.8694 -0.8132 -0.8132 -0.6700 -0.6700 -0.6234 -0.6234 -0.2130 -0.2130 -0.2020 -0.2020 -0.1694 -0.1694 -0.1345 -0.1345 -0.0108 -0.0108 0.0016 0.0016 9.3156 9.3156 9.3254 9.3254 10.9694 10.9694 11.2106 11.2106 11.2806 11.2806 k = 0.0593 0.5254 0.3001 ( 5089 PWs) bands (ev): -22.2290 -22.2290 -22.2157 -22.2157 -20.2527 -20.2527 -20.2415 -20.2415 -18.9926 -18.9926 -18.9879 -18.9879 -6.9971 -6.9971 -6.9562 -6.9562 -6.2127 -6.2127 -6.1264 -6.1264 -6.0947 -6.0947 -6.0505 -6.0505 -4.3171 -4.3171 -4.2365 -4.2365 -0.8605 -0.8605 -0.8137 -0.8137 -0.6650 -0.6650 -0.6242 -0.6242 -0.2145 -0.2145 -0.2047 -0.2047 -0.1659 -0.1659 -0.1374 -0.1374 -0.0091 -0.0091 0.0015 0.0015 9.3087 9.3087 9.3195 9.3195 11.0129 11.0129 11.2400 11.2400 11.2696 11.2696 k = 0.0445 0.5202 0.3079 ( 5085 PWs) bands (ev): -22.2276 -22.2276 -22.2175 -22.2175 -20.2511 -20.2511 -20.2427 -20.2427 -18.9919 -18.9919 -18.9883 -18.9883 -6.9909 -6.9909 -6.9601 -6.9601 -6.2018 -6.2018 -6.1297 -6.1297 -6.0993 -6.0993 -6.0603 -6.0603 -4.3076 -4.3076 -4.2470 -4.2470 -0.8520 -0.8520 -0.8158 -0.8158 -0.6592 -0.6592 -0.6265 -0.6265 -0.2153 -0.2153 -0.2075 -0.2075 -0.1620 -0.1620 -0.1405 -0.1405 -0.0073 -0.0073 0.0010 0.0010 9.3040 9.3040 9.3139 9.3139 11.0516 11.0516 11.2236 11.2236 11.3077 11.3077 k = 0.0297 0.5151 0.3158 ( 5083 PWs) bands (ev): -22.2260 -22.2260 -22.2193 -22.2193 -20.2495 -20.2495 -20.2440 -20.2440 -18.9912 -18.9912 -18.9888 -18.9888 -6.9851 -6.9851 -6.9644 -6.9644 -6.1901 -6.1901 -6.1394 -6.1394 -6.0972 -6.0972 -6.0693 -6.0693 -4.2979 -4.2979 -4.2575 -4.2575 -0.8440 -0.8440 -0.8194 -0.8194 -0.6528 -0.6528 -0.6300 -0.6300 -0.2155 -0.2155 -0.2100 -0.2100 -0.1581 -0.1581 -0.1437 -0.1437 -0.0055 -0.0055 0.0002 0.0002 9.3014 9.3014 9.3089 9.3089 11.0860 11.0860 11.1989 11.1989 11.3554 11.3554 k = 0.0148 0.5100 0.3236 ( 5083 PWs) bands (ev): -22.2245 -22.2245 -22.2211 -22.2211 -20.2481 -20.2481 -20.2453 -20.2453 -18.9905 -18.9905 -18.9893 -18.9893 -6.9794 -6.9794 -6.9691 -6.9691 -6.1777 -6.1777 -6.1518 -6.1518 -6.0919 -6.0919 -6.0776 -6.0776 -4.2881 -4.2881 -4.2678 -4.2678 -0.8367 -0.8367 -0.8242 -0.8242 -0.6464 -0.6464 -0.6347 -0.6347 -0.2150 -0.2150 -0.2122 -0.2122 -0.1543 -0.1543 -0.1471 -0.1471 -0.0038 -0.0038 -0.0009 -0.0009 9.3009 9.3009 9.3048 9.3048 11.1171 11.1171 11.1729 11.1729 11.4033 11.4033 k = 0.0000 0.5048 0.3314 ( 5090 PWs) bands (ev): -22.2228 -22.2228 -22.2228 -22.2228 -20.2467 -20.2467 -20.2465 -20.2465 -18.9900 -18.9900 -18.9898 -18.9898 -6.9741 -6.9741 -6.9741 -6.9741 -6.1649 -6.1649 -6.1649 -6.1649 -6.0851 -6.0851 -6.0851 -6.0851 -4.2781 -4.2781 -4.2779 -4.2779 -0.8301 -0.8301 -0.8299 -0.8299 -0.6403 -0.6403 -0.6401 -0.6401 -0.2140 -0.2140 -0.2138 -0.2138 -0.1507 -0.1507 -0.1505 -0.1505 -0.0024 -0.0024 -0.0022 -0.0022 9.3021 9.3021 9.3021 9.3021 11.1458 11.1458 11.1458 11.1458 11.4481 11.4482 k = 0.0000 0.5048 0.3314 ( 5090 PWs) bands (ev): -22.2228 -22.2228 -22.2228 -22.2228 -20.2467 -20.2467 -20.2465 -20.2465 -18.9900 -18.9900 -18.9898 -18.9898 -6.9741 -6.9741 -6.9741 -6.9741 -6.1649 -6.1649 -6.1649 -6.1649 -6.0851 -6.0851 -6.0851 -6.0851 -4.2781 -4.2781 -4.2779 -4.2779 -0.8301 -0.8301 -0.8299 -0.8299 -0.6403 -0.6403 -0.6401 -0.6401 -0.2140 -0.2140 -0.2138 -0.2138 -0.1507 -0.1507 -0.1505 -0.1505 -0.0024 -0.0024 -0.0022 -0.0022 9.3021 9.3021 9.3021 9.3021 11.1458 11.1458 11.1458 11.1458 11.4481 11.4482 k = 0.0093 0.4968 0.3437 ( 5088 PWs) bands (ev): -22.2228 -22.2228 -22.2228 -22.2228 -20.2468 -20.2468 -20.2466 -20.2466 -18.9900 -18.9900 -18.9897 -18.9897 -6.9749 -6.9749 -6.9735 -6.9735 -6.1699 -6.1699 -6.1601 -6.1601 -6.0889 -6.0889 -6.0810 -6.0810 -4.2784 -4.2784 -4.2776 -4.2776 -0.8306 -0.8306 -0.8297 -0.8297 -0.6410 -0.6410 -0.6396 -0.6396 -0.2136 -0.2136 -0.2135 -0.2135 -0.1515 -0.1515 -0.1499 -0.1499 -0.0032 -0.0032 -0.0014 -0.0014 9.3031 9.3031 9.3031 9.3031 11.1394 11.1394 11.1408 11.1408 11.4440 11.4440 k = 0.0185 0.4887 0.3559 ( 5088 PWs) bands (ev): -22.2228 -22.2228 -22.2228 -22.2228 -20.2469 -20.2469 -20.2467 -20.2467 -18.9899 -18.9899 -18.9897 -18.9897 -6.9757 -6.9757 -6.9730 -6.9730 -6.1752 -6.1752 -6.1559 -6.1559 -6.0919 -6.0919 -6.0765 -6.0765 -4.2788 -4.2788 -4.2771 -4.2771 -0.8314 -0.8314 -0.8296 -0.8296 -0.6420 -0.6420 -0.6391 -0.6391 -0.2126 -0.2126 -0.2124 -0.2124 -0.1526 -0.1526 -0.1495 -0.1495 -0.0041 -0.0041 -0.0006 -0.0006 9.3062 9.3062 9.3062 9.3062 11.1222 11.1222 11.1248 11.1248 11.4360 11.4360 k = 0.0278 0.4807 0.3682 ( 5086 PWs) bands (ev): -22.2227 -22.2227 -22.2227 -22.2227 -20.2471 -20.2471 -20.2469 -20.2469 -18.9898 -18.9898 -18.9895 -18.9895 -6.9766 -6.9766 -6.9726 -6.9726 -6.1804 -6.1804 -6.1525 -6.1525 -6.0941 -6.0941 -6.0719 -6.0719 -4.2791 -4.2791 -4.2767 -4.2767 -0.8323 -0.8323 -0.8297 -0.8297 -0.6430 -0.6430 -0.6388 -0.6388 -0.2110 -0.2110 -0.2108 -0.2108 -0.1537 -0.1537 -0.1493 -0.1493 -0.0051 -0.0051 0.0001 0.0001 9.3113 9.3113 9.3113 9.3113 11.0957 11.0957 11.0991 11.0991 11.4294 11.4294 k = 0.0370 0.4726 0.3805 ( 5086 PWs) bands (ev): -22.2226 -22.2226 -22.2226 -22.2226 -20.2473 -20.2473 -20.2471 -20.2471 -18.9896 -18.9896 -18.9894 -18.9894 -6.9776 -6.9776 -6.9723 -6.9723 -6.1855 -6.1855 -6.1502 -6.1502 -6.0950 -6.0950 -6.0672 -6.0672 -4.2795 -4.2795 -4.2762 -4.2762 -0.8335 -0.8335 -0.8301 -0.8301 -0.6441 -0.6441 -0.6387 -0.6387 -0.2088 -0.2088 -0.2086 -0.2086 -0.1548 -0.1548 -0.1492 -0.1492 -0.0061 -0.0061 0.0006 0.0006 9.3185 9.3185 9.3185 9.3185 11.0619 11.0619 11.0656 11.0656 11.4263 11.4263 k = 0.0463 0.4646 0.3928 ( 5086 PWs) bands (ev): -22.2225 -22.2225 -22.2225 -22.2225 -20.2476 -20.2476 -20.2474 -20.2474 -18.9894 -18.9894 -18.9891 -18.9891 -6.9787 -6.9787 -6.9721 -6.9721 -6.1905 -6.1905 -6.1493 -6.1493 -6.0945 -6.0945 -6.0626 -6.0626 -4.2797 -4.2797 -4.2757 -4.2757 -0.8348 -0.8348 -0.8308 -0.8308 -0.6453 -0.6453 -0.6389 -0.6389 -0.2063 -0.2063 -0.2057 -0.2057 -0.1557 -0.1557 -0.1493 -0.1493 -0.0072 -0.0072 0.0010 0.0010 9.3277 9.3277 9.3277 9.3277 11.0227 11.0227 11.0265 11.0265 11.4272 11.4272 k = 0.0556 0.4565 0.4050 ( 5082 PWs) bands (ev): -22.2224 -22.2224 -22.2224 -22.2224 -20.2480 -20.2480 -20.2478 -20.2478 -18.9891 -18.9891 -18.9889 -18.9889 -6.9797 -6.9797 -6.9721 -6.9721 -6.1953 -6.1953 -6.1499 -6.1499 -6.0925 -6.0925 -6.0579 -6.0579 -4.2800 -4.2800 -4.2753 -4.2753 -0.8363 -0.8363 -0.8318 -0.8318 -0.6464 -0.6464 -0.6392 -0.6392 -0.2038 -0.2038 -0.2024 -0.2024 -0.1562 -0.1562 -0.1492 -0.1492 -0.0085 -0.0085 0.0011 0.0011 9.3389 9.3389 9.3389 9.3389 10.9798 10.9798 10.9835 10.9835 11.4314 11.4314 k = 0.0648 0.4485 0.4173 ( 5082 PWs) bands (ev): -22.2223 -22.2223 -22.2223 -22.2223 -20.2484 -20.2484 -20.2482 -20.2482 -18.9888 -18.9888 -18.9886 -18.9886 -6.9809 -6.9809 -6.9723 -6.9723 -6.1999 -6.1999 -6.1516 -6.1516 -6.0893 -6.0893 -6.0533 -6.0533 -4.2801 -4.2801 -4.2749 -4.2749 -0.8379 -0.8379 -0.8330 -0.8330 -0.6476 -0.6476 -0.6397 -0.6397 -0.2013 -0.2013 -0.1988 -0.1988 -0.1561 -0.1561 -0.1491 -0.1491 -0.0099 -0.0099 0.0010 0.0010 9.3521 9.3521 9.3521 9.3521 10.9344 10.9344 10.9379 10.9379 11.4380 11.4380 k = 0.0741 0.4404 0.4296 ( 5090 PWs) bands (ev): -22.2221 -22.2221 -22.2221 -22.2221 -20.2489 -20.2489 -20.2487 -20.2487 -18.9885 -18.9885 -18.9882 -18.9882 -6.9820 -6.9820 -6.9725 -6.9725 -6.2042 -6.2042 -6.1543 -6.1543 -6.0852 -6.0852 -6.0488 -6.0488 -4.2803 -4.2803 -4.2744 -4.2744 -0.8396 -0.8396 -0.8345 -0.8345 -0.6486 -0.6486 -0.6404 -0.6404 -0.1991 -0.1991 -0.1949 -0.1949 -0.1551 -0.1551 -0.1485 -0.1485 -0.0115 -0.0115 0.0005 0.0005 9.3672 9.3672 9.3673 9.3673 10.8874 10.8874 10.8907 10.8907 11.4470 11.4470 k = 0.0833 0.4323 0.4418 ( 5090 PWs) bands (ev): -22.2220 -22.2220 -22.2220 -22.2220 -20.2494 -20.2494 -20.2492 -20.2492 -18.9881 -18.9881 -18.9879 -18.9879 -6.9831 -6.9831 -6.9730 -6.9730 -6.2081 -6.2081 -6.1576 -6.1576 -6.0804 -6.0804 -6.0445 -6.0445 -4.2803 -4.2803 -4.2740 -4.2740 -0.8414 -0.8414 -0.8362 -0.8362 -0.6497 -0.6497 -0.6413 -0.6413 -0.1974 -0.1974 -0.1911 -0.1911 -0.1531 -0.1531 -0.1475 -0.1475 -0.0133 -0.0133 -0.0003 -0.0003 9.3843 9.3843 9.3844 9.3844 10.8395 10.8395 10.8425 10.8425 11.4581 11.4581 k = 0.0926 0.4243 0.4541 ( 5094 PWs) bands (ev): -22.2218 -22.2218 -22.2218 -22.2218 -20.2500 -20.2500 -20.2498 -20.2498 -18.9877 -18.9877 -18.9875 -18.9875 -6.9842 -6.9842 -6.9735 -6.9735 -6.2118 -6.2118 -6.1614 -6.1614 -6.0752 -6.0752 -6.0403 -6.0403 -4.2804 -4.2804 -4.2737 -4.2737 -0.8433 -0.8433 -0.8381 -0.8381 -0.6507 -0.6507 -0.6424 -0.6424 -0.1961 -0.1961 -0.1874 -0.1874 -0.1501 -0.1501 -0.1459 -0.1459 -0.0154 -0.0154 -0.0014 -0.0014 9.4033 9.4033 9.4034 9.4034 10.7909 10.7909 10.7938 10.7938 11.4709 11.4709 k = 0.1019 0.4162 0.4664 ( 5090 PWs) bands (ev): -22.2216 -22.2216 -22.2216 -22.2216 -20.2506 -20.2506 -20.2504 -20.2504 -18.9873 -18.9873 -18.9871 -18.9871 -6.9853 -6.9853 -6.9741 -6.9741 -6.2151 -6.2151 -6.1654 -6.1654 -6.0699 -6.0699 -6.0363 -6.0363 -4.2803 -4.2803 -4.2733 -4.2733 -0.8451 -0.8451 -0.8401 -0.8401 -0.6517 -0.6517 -0.6436 -0.6436 -0.1951 -0.1951 -0.1839 -0.1839 -0.1462 -0.1462 -0.1435 -0.1435 -0.0178 -0.0178 -0.0030 -0.0030 9.4242 9.4242 9.4243 9.4243 10.7421 10.7421 10.7448 10.7448 11.4853 11.4853 k = 0.1111 0.4082 0.4787 ( 5078 PWs) bands (ev): -22.2214 -22.2214 -22.2214 -22.2214 -20.2512 -20.2512 -20.2510 -20.2510 -18.9868 -18.9868 -18.9866 -18.9866 -6.9863 -6.9863 -6.9749 -6.9749 -6.2180 -6.2180 -6.1695 -6.1695 -6.0645 -6.0645 -6.0325 -6.0325 -4.2802 -4.2802 -4.2730 -4.2730 -0.8471 -0.8471 -0.8423 -0.8423 -0.6527 -0.6527 -0.6450 -0.6450 -0.1942 -0.1942 -0.1807 -0.1807 -0.1416 -0.1416 -0.1404 -0.1404 -0.0205 -0.0205 -0.0051 -0.0051 9.4469 9.4469 9.4471 9.4471 10.6933 10.6933 10.6959 10.6959 11.5008 11.5008 k = 0.1204 0.4001 0.4909 ( 5078 PWs) bands (ev): -22.2212 -22.2212 -22.2212 -22.2212 -20.2518 -20.2518 -20.2516 -20.2516 -18.9864 -18.9864 -18.9862 -18.9862 -6.9873 -6.9873 -6.9757 -6.9757 -6.2206 -6.2206 -6.1737 -6.1737 -6.0591 -6.0591 -6.0289 -6.0289 -4.2800 -4.2800 -4.2727 -4.2727 -0.8489 -0.8489 -0.8445 -0.8445 -0.6537 -0.6537 -0.6466 -0.6466 -0.1933 -0.1933 -0.1777 -0.1777 -0.1367 -0.1367 -0.1365 -0.1365 -0.0235 -0.0235 -0.0076 -0.0076 9.4713 9.4713 9.4716 9.4716 10.6446 10.6446 10.6470 10.6470 11.5172 11.5172 k = 0.1296 0.3921 0.5032 ( 5078 PWs) bands (ev): -22.2211 -22.2211 -22.2211 -22.2211 -20.2524 -20.2524 -20.2522 -20.2522 -18.9860 -18.9860 -18.9858 -18.9858 -6.9882 -6.9882 -6.9767 -6.9767 -6.2228 -6.2228 -6.1779 -6.1779 -6.0539 -6.0539 -6.0256 -6.0256 -4.2798 -4.2798 -4.2724 -4.2724 -0.8508 -0.8508 -0.8467 -0.8467 -0.6548 -0.6548 -0.6482 -0.6482 -0.1922 -0.1922 -0.1748 -0.1748 -0.1324 -0.1324 -0.1312 -0.1312 -0.0268 -0.0268 -0.0105 -0.0105 9.4974 9.4974 9.4977 9.4977 10.5961 10.5961 10.5984 10.5984 11.5340 11.5340 k = 0.1389 0.3840 0.5155 ( 5076 PWs) bands (ev): -22.2209 -22.2209 -22.2209 -22.2209 -20.2530 -20.2530 -20.2528 -20.2528 -18.9855 -18.9855 -18.9853 -18.9853 -6.9891 -6.9891 -6.9777 -6.9777 -6.2247 -6.2247 -6.1821 -6.1821 -6.0488 -6.0488 -6.0226 -6.0226 -4.2795 -4.2795 -4.2722 -4.2722 -0.8526 -0.8526 -0.8489 -0.8489 -0.6559 -0.6559 -0.6499 -0.6499 -0.1907 -0.1907 -0.1718 -0.1718 -0.1279 -0.1279 -0.1258 -0.1258 -0.0305 -0.0305 -0.0138 -0.0138 9.5252 9.5252 9.5256 9.5256 10.5479 10.5479 10.5501 10.5501 11.5507 11.5507 k = 0.1481 0.3759 0.5278 ( 5074 PWs) bands (ev): -22.2207 -22.2207 -22.2207 -22.2207 -20.2536 -20.2536 -20.2534 -20.2534 -18.9851 -18.9851 -18.9849 -18.9849 -6.9898 -6.9898 -6.9788 -6.9788 -6.2262 -6.2262 -6.1862 -6.1862 -6.0439 -6.0439 -6.0198 -6.0198 -4.2792 -4.2792 -4.2721 -4.2721 -0.8543 -0.8543 -0.8511 -0.8511 -0.6570 -0.6570 -0.6518 -0.6518 -0.1887 -0.1887 -0.1688 -0.1688 -0.1233 -0.1233 -0.1203 -0.1203 -0.0344 -0.0344 -0.0176 -0.0176 9.5545 9.5545 9.5549 9.5549 10.5001 10.5001 10.5022 10.5022 11.5669 11.5669 k = 0.1574 0.3679 0.5400 ( 5072 PWs) bands (ev): -22.2205 -22.2205 -22.2205 -22.2205 -20.2542 -20.2542 -20.2540 -20.2540 -18.9847 -18.9847 -18.9845 -18.9845 -6.9904 -6.9904 -6.9799 -6.9799 -6.2273 -6.2273 -6.1902 -6.1902 -6.0392 -6.0392 -6.0173 -6.0173 -4.2788 -4.2788 -4.2720 -4.2720 -0.8560 -0.8560 -0.8531 -0.8531 -0.6582 -0.6582 -0.6536 -0.6536 -0.1863 -0.1863 -0.1656 -0.1656 -0.1187 -0.1187 -0.1151 -0.1151 -0.0385 -0.0385 -0.0218 -0.0218 9.5853 9.5853 9.5858 9.5858 10.4527 10.4527 10.4547 10.4547 11.5819 11.5819 k = 0.1667 0.3598 0.5523 ( 5074 PWs) bands (ev): -22.2203 -22.2203 -22.2203 -22.2203 -20.2548 -20.2548 -20.2546 -20.2546 -18.9843 -18.9843 -18.9841 -18.9841 -6.9909 -6.9909 -6.9810 -6.9810 -6.2281 -6.2281 -6.1940 -6.1940 -6.0348 -6.0348 -6.0151 -6.0151 -4.2783 -4.2783 -4.2719 -4.2719 -0.8575 -0.8575 -0.8551 -0.8551 -0.6594 -0.6594 -0.6555 -0.6555 -0.1834 -0.1834 -0.1621 -0.1621 -0.1142 -0.1142 -0.1101 -0.1101 -0.0428 -0.0428 -0.0263 -0.0263 9.6174 9.6174 9.6179 9.6179 10.4057 10.4057 10.4077 10.4077 11.5951 11.5951 k = 0.1759 0.3518 0.5646 ( 5072 PWs) bands (ev): -22.2202 -22.2202 -22.2202 -22.2202 -20.2553 -20.2553 -20.2551 -20.2551 -18.9839 -18.9839 -18.9837 -18.9837 -6.9913 -6.9913 -6.9822 -6.9822 -6.2286 -6.2286 -6.1978 -6.1978 -6.0308 -6.0308 -6.0132 -6.0132 -4.2779 -4.2779 -4.2719 -4.2719 -0.8588 -0.8588 -0.8568 -0.8568 -0.6606 -0.6606 -0.6573 -0.6573 -0.1800 -0.1800 -0.1586 -0.1586 -0.1101 -0.1101 -0.1054 -0.1054 -0.0471 -0.0471 -0.0311 -0.0311 9.6506 9.6506 9.6513 9.6513 10.3594 10.3594 10.3613 10.3613 11.6063 11.6063 k = 0.1852 0.3437 0.5769 ( 5064 PWs) bands (ev): -22.2200 -22.2200 -22.2200 -22.2200 -20.2558 -20.2558 -20.2556 -20.2556 -18.9836 -18.9836 -18.9834 -18.9834 -6.9916 -6.9916 -6.9833 -6.9833 -6.2287 -6.2287 -6.2013 -6.2013 -6.0270 -6.0270 -6.0117 -6.0117 -4.2774 -4.2774 -4.2720 -4.2720 -0.8601 -0.8601 -0.8584 -0.8584 -0.6617 -0.6617 -0.6591 -0.6591 -0.1761 -0.1761 -0.1549 -0.1549 -0.1064 -0.1064 -0.1011 -0.1011 -0.0514 -0.0514 -0.0362 -0.0362 9.6849 9.6849 9.6857 9.6857 10.3138 10.3138 10.3156 10.3156 11.6151 11.6151 k = 0.1944 0.3357 0.5891 ( 5060 PWs) bands (ev): -22.2199 -22.2199 -22.2199 -22.2199 -20.2562 -20.2562 -20.2560 -20.2560 -18.9833 -18.9833 -18.9831 -18.9831 -6.9917 -6.9917 -6.9845 -6.9845 -6.2285 -6.2285 -6.2047 -6.2047 -6.0236 -6.0236 -6.0104 -6.0104 -4.2769 -4.2769 -4.2721 -4.2721 -0.8611 -0.8611 -0.8598 -0.8598 -0.6629 -0.6629 -0.6608 -0.6608 -0.1719 -0.1719 -0.1514 -0.1514 -0.1031 -0.1031 -0.0973 -0.0973 -0.0554 -0.0554 -0.0414 -0.0414 9.7200 9.7200 9.7208 9.7208 10.2690 10.2690 10.2708 10.2708 11.6215 11.6216 k = 0.2037 0.3276 0.6014 ( 5056 PWs) bands (ev): -22.2198 -22.2198 -22.2198 -22.2198 -20.2566 -20.2566 -20.2564 -20.2564 -18.9830 -18.9830 -18.9828 -18.9828 -6.9918 -6.9918 -6.9855 -6.9855 -6.2279 -6.2279 -6.2080 -6.2080 -6.0205 -6.0205 -6.0096 -6.0096 -4.2764 -4.2764 -4.2722 -4.2722 -0.8620 -0.8620 -0.8610 -0.8610 -0.6639 -0.6639 -0.6623 -0.6623 -0.1673 -0.1673 -0.1481 -0.1481 -0.1002 -0.1002 -0.0941 -0.0941 -0.0590 -0.0590 -0.0466 -0.0466 9.7555 9.7555 9.7564 9.7564 10.2255 10.2255 10.2271 10.2271 11.6260 11.6260 k = 0.2130 0.3195 0.6137 ( 5056 PWs) bands (ev): -22.2197 -22.2197 -22.2197 -22.2197 -20.2569 -20.2569 -20.2567 -20.2567 -18.9828 -18.9828 -18.9826 -18.9826 -6.9917 -6.9917 -6.9866 -6.9866 -6.2271 -6.2271 -6.2110 -6.2110 -6.0178 -6.0178 -6.0090 -6.0090 -4.2758 -4.2758 -4.2725 -4.2725 -0.8628 -0.8628 -0.8620 -0.8620 -0.6648 -0.6648 -0.6636 -0.6636 -0.1627 -0.1627 -0.1455 -0.1455 -0.0978 -0.0978 -0.0915 -0.0915 -0.0620 -0.0620 -0.0517 -0.0517 9.7909 9.7909 9.7918 9.7918 10.1836 10.1836 10.1851 10.1851 11.6288 11.6288 k = 0.2222 0.3115 0.6260 ( 5062 PWs) bands (ev): -22.2196 -22.2196 -22.2196 -22.2196 -20.2571 -20.2571 -20.2569 -20.2569 -18.9826 -18.9826 -18.9824 -18.9824 -6.9914 -6.9914 -6.9876 -6.9876 -6.2260 -6.2260 -6.2138 -6.2138 -6.0154 -6.0154 -6.0088 -6.0088 -4.2753 -4.2753 -4.2728 -4.2728 -0.8634 -0.8634 -0.8628 -0.8628 -0.6655 -0.6655 -0.6646 -0.6646 -0.1580 -0.1580 -0.1438 -0.1438 -0.0956 -0.0956 -0.0898 -0.0898 -0.0643 -0.0643 -0.0564 -0.0564 9.8251 9.8251 9.8260 9.8260 10.1444 10.1444 10.1458 10.1458 11.6305 11.6305 k = 0.2315 0.3034 0.6382 ( 5052 PWs) bands (ev): -22.2195 -22.2195 -22.2195 -22.2195 -20.2573 -20.2573 -20.2571 -20.2571 -18.9825 -18.9825 -18.9823 -18.9823 -6.9911 -6.9911 -6.9885 -6.9885 -6.2246 -6.2246 -6.2165 -6.2165 -6.0134 -6.0134 -6.0090 -6.0090 -4.2748 -4.2748 -4.2731 -4.2731 -0.8637 -0.8637 -0.8634 -0.8634 -0.6660 -0.6660 -0.6654 -0.6654 -0.1536 -0.1536 -0.1433 -0.1433 -0.0936 -0.0936 -0.0888 -0.0888 -0.0656 -0.0656 -0.0604 -0.0604 9.8562 9.8562 9.8570 9.8570 10.1099 10.1099 10.1110 10.1110 11.6313 11.6313 k = 0.2407 0.2954 0.6505 ( 5044 PWs) bands (ev): -22.2195 -22.2195 -22.2195 -22.2195 -20.2574 -20.2574 -20.2572 -20.2572 -18.9824 -18.9824 -18.9822 -18.9822 -6.9906 -6.9906 -6.9893 -6.9893 -6.2229 -6.2229 -6.2189 -6.2189 -6.0117 -6.0117 -6.0096 -6.0096 -4.2743 -4.2743 -4.2735 -4.2735 -0.8640 -0.8640 -0.8638 -0.8638 -0.6663 -0.6663 -0.6660 -0.6660 -0.1496 -0.1496 -0.1442 -0.1442 -0.0916 -0.0916 -0.0889 -0.0889 -0.0661 -0.0661 -0.0635 -0.0635 9.8801 9.8801 9.8806 9.8806 10.0843 10.0843 10.0850 10.0850 11.6316 11.6317 k = 0.2500 0.2873 0.6628 ( 5052 PWs) bands (ev): -22.2195 -22.2195 -22.2195 -22.2195 -20.2574 -20.2574 -20.2572 -20.2572 -18.9824 -18.9824 -18.9822 -18.9822 -6.9900 -6.9900 -6.9900 -6.9900 -6.2210 -6.2210 -6.2210 -6.2210 -6.0105 -6.0105 -6.0105 -6.0105 -4.2740 -4.2740 -4.2738 -4.2738 -0.8640 -0.8640 -0.8639 -0.8639 -0.6664 -0.6664 -0.6662 -0.6662 -0.1465 -0.1465 -0.1463 -0.1463 -0.0900 -0.0900 -0.0898 -0.0898 -0.0655 -0.0655 -0.0653 -0.0653 9.8897 9.8897 9.8897 9.8897 10.0745 10.0745 10.0746 10.0746 11.6318 11.6318 k = 0.2500 0.2873 0.6628 ( 5052 PWs) bands (ev): -22.2195 -22.2195 -22.2195 -22.2195 -20.2574 -20.2574 -20.2572 -20.2572 -18.9824 -18.9824 -18.9822 -18.9822 -6.9900 -6.9900 -6.9900 -6.9900 -6.2210 -6.2210 -6.2210 -6.2210 -6.0105 -6.0105 -6.0105 -6.0105 -4.2740 -4.2740 -4.2738 -4.2738 -0.8640 -0.8640 -0.8639 -0.8639 -0.6664 -0.6664 -0.6662 -0.6662 -0.1465 -0.1465 -0.1463 -0.1463 -0.0900 -0.0900 -0.0898 -0.0898 -0.0655 -0.0655 -0.0653 -0.0653 9.8897 9.8897 9.8897 9.8897 10.0745 10.0745 10.0746 10.0746 11.6318 11.6318 k = 0.2576 0.2960 0.6495 ( 5049 PWs) bands (ev): -22.2217 -22.2217 -22.2172 -22.2172 -20.2578 -20.2578 -20.2568 -20.2568 -18.9829 -18.9829 -18.9817 -18.9817 -6.9951 -6.9951 -6.9850 -6.9850 -6.2303 -6.2303 -6.2119 -6.2119 -6.0118 -6.0118 -6.0087 -6.0087 -4.2778 -4.2778 -4.2700 -4.2700 -0.8714 -0.8714 -0.8564 -0.8564 -0.6690 -0.6690 -0.6634 -0.6634 -0.1510 -0.1510 -0.1425 -0.1425 -0.0951 -0.0951 -0.0858 -0.0858 -0.0665 -0.0665 -0.0628 -0.0628 9.8705 9.8705 9.8978 9.8978 10.0702 10.0702 10.0906 10.0906 11.5370 11.5370 k = 0.2652 0.3047 0.6362 ( 5052 PWs) bands (ev): -22.2239 -22.2239 -22.2151 -22.2151 -20.2583 -20.2583 -20.2562 -20.2562 -18.9837 -18.9837 -18.9810 -18.9810 -7.0003 -7.0003 -6.9802 -6.9802 -6.2396 -6.2396 -6.2033 -6.2033 -6.0125 -6.0125 -6.0066 -6.0066 -4.2816 -4.2816 -4.2661 -4.2661 -0.8786 -0.8786 -0.8490 -0.8490 -0.6714 -0.6714 -0.6604 -0.6604 -0.1560 -0.1560 -0.1399 -0.1399 -0.1002 -0.1002 -0.0837 -0.0837 -0.0676 -0.0676 -0.0576 -0.0576 9.8551 9.8551 9.8853 9.8853 10.0656 10.0656 10.1246 10.1246 11.4440 11.4440 k = 0.2727 0.3134 0.6230 ( 5052 PWs) bands (ev): -22.2261 -22.2261 -22.2130 -22.2130 -20.2586 -20.2586 -20.2558 -20.2558 -18.9845 -18.9845 -18.9804 -18.9804 -7.0055 -7.0055 -6.9757 -6.9757 -6.2487 -6.2487 -6.1952 -6.1952 -6.0126 -6.0126 -6.0039 -6.0039 -4.2856 -4.2856 -4.2621 -4.2621 -0.8857 -0.8857 -0.8420 -0.8420 -0.6732 -0.6732 -0.6574 -0.6574 -0.1612 -0.1612 -0.1388 -0.1388 -0.1046 -0.1046 -0.0833 -0.0833 -0.0690 -0.0690 -0.0505 -0.0505 9.8437 9.8437 9.8631 9.8631 10.0602 10.0602 10.1665 10.1665 11.3534 11.3534 k = 0.2803 0.3222 0.6097 ( 5056 PWs) bands (ev): -22.2281 -22.2281 -22.2110 -22.2110 -20.2588 -20.2588 -20.2554 -20.2554 -18.9853 -18.9853 -18.9798 -18.9798 -7.0107 -7.0107 -6.9714 -6.9714 -6.2577 -6.2577 -6.1878 -6.1878 -6.0123 -6.0123 -6.0006 -6.0006 -4.2897 -4.2897 -4.2579 -4.2579 -0.8926 -0.8926 -0.8356 -0.8356 -0.6744 -0.6744 -0.6545 -0.6545 -0.1664 -0.1664 -0.1392 -0.1392 -0.1078 -0.1078 -0.0838 -0.0838 -0.0706 -0.0706 -0.0427 -0.0427 9.8358 9.8358 9.8379 9.8379 10.0536 10.0536 10.2103 10.2103 11.2654 11.2654 k = 0.2879 0.3309 0.5965 ( 5056 PWs) bands (ev): -22.2301 -22.2301 -22.2090 -22.2090 -20.2588 -20.2588 -20.2550 -20.2550 -18.9861 -18.9861 -18.9793 -18.9793 -7.0160 -7.0160 -6.9674 -6.9674 -6.2663 -6.2663 -6.1812 -6.1812 -6.0115 -6.0115 -5.9966 -5.9966 -4.2939 -4.2939 -4.2535 -4.2535 -0.8992 -0.8992 -0.8301 -0.8301 -0.6747 -0.6747 -0.6517 -0.6517 -0.1716 -0.1716 -0.1412 -0.1412 -0.1095 -0.1095 -0.0845 -0.0845 -0.0726 -0.0726 -0.0349 -0.0349 9.8113 9.8113 9.8327 9.8327 10.0457 10.0457 10.2533 10.2533 11.1802 11.1802 k = 0.2955 0.3396 0.5832 ( 5063 PWs) bands (ev): -22.2320 -22.2320 -22.2071 -22.2071 -20.2588 -20.2588 -20.2547 -20.2547 -18.9870 -18.9870 -18.9789 -18.9789 -7.0213 -7.0213 -6.9636 -6.9636 -6.2746 -6.2746 -6.1756 -6.1756 -6.0103 -6.0103 -5.9917 -5.9917 -4.2982 -4.2982 -4.2488 -4.2488 -0.9057 -0.9057 -0.8258 -0.8258 -0.6744 -0.6744 -0.6488 -0.6488 -0.1768 -0.1768 -0.1447 -0.1447 -0.1099 -0.1099 -0.0854 -0.0854 -0.0748 -0.0748 -0.0275 -0.0275 9.7861 9.7861 9.8331 9.8331 10.0364 10.0364 10.2941 10.2941 11.0980 11.0980 k = 0.3030 0.3483 0.5699 ( 5068 PWs) bands (ev): -22.2338 -22.2338 -22.2053 -22.2053 -20.2587 -20.2587 -20.2546 -20.2546 -18.9878 -18.9878 -18.9785 -18.9785 -7.0266 -7.0266 -6.9600 -6.9600 -6.2824 -6.2824 -6.1709 -6.1709 -6.0087 -6.0087 -5.9859 -5.9859 -4.3026 -4.3026 -4.2440 -4.2440 -0.9120 -0.9120 -0.8228 -0.8228 -0.6732 -0.6732 -0.6460 -0.6460 -0.1818 -0.1818 -0.1489 -0.1489 -0.1094 -0.1094 -0.0864 -0.0864 -0.0771 -0.0771 -0.0208 -0.0208 9.7626 9.7626 9.8375 9.8375 10.0253 10.0253 10.3322 10.3322 11.0189 11.0189 k = 0.3106 0.3570 0.5567 ( 5077 PWs) bands (ev): -22.2355 -22.2355 -22.2035 -22.2035 -20.2585 -20.2585 -20.2545 -20.2545 -18.9886 -18.9886 -18.9782 -18.9782 -7.0319 -7.0319 -6.9566 -6.9566 -6.2896 -6.2896 -6.1673 -6.1673 -6.0069 -6.0069 -5.9790 -5.9790 -4.3072 -4.3072 -4.2389 -4.2389 -0.9182 -0.9182 -0.8211 -0.8211 -0.6713 -0.6713 -0.6432 -0.6432 -0.1866 -0.1866 -0.1536 -0.1536 -0.1084 -0.1084 -0.0876 -0.0876 -0.0791 -0.0791 -0.0149 -0.0149 9.7412 9.7412 9.8459 9.8459 10.0125 10.0125 10.3673 10.3673 10.9431 10.9431 k = 0.3182 0.3657 0.5434 ( 5079 PWs) bands (ev): -22.2371 -22.2371 -22.2018 -22.2018 -20.2582 -20.2582 -20.2545 -20.2545 -18.9894 -18.9894 -18.9780 -18.9780 -7.0373 -7.0373 -6.9534 -6.9534 -6.2963 -6.2963 -6.1646 -6.1646 -6.0048 -6.0048 -5.9712 -5.9712 -4.3118 -4.3118 -4.2336 -4.2336 -0.9242 -0.9242 -0.8209 -0.8209 -0.6689 -0.6689 -0.6404 -0.6404 -0.1912 -0.1912 -0.1583 -0.1583 -0.1073 -0.1073 -0.0895 -0.0895 -0.0804 -0.0804 -0.0099 -0.0099 9.7223 9.7223 9.8583 9.8583 9.9979 9.9979 10.3991 10.3991 10.8706 10.8706 k = 0.3258 0.3744 0.5301 ( 5081 PWs) bands (ev): -22.2385 -22.2385 -22.2002 -22.2002 -20.2580 -20.2580 -20.2545 -20.2545 -18.9902 -18.9902 -18.9779 -18.9779 -7.0427 -7.0427 -6.9505 -6.9505 -6.3023 -6.3023 -6.1629 -6.1629 -6.0025 -6.0025 -5.9625 -5.9625 -4.3166 -4.3166 -4.2279 -4.2279 -0.9301 -0.9301 -0.8221 -0.8221 -0.6661 -0.6661 -0.6377 -0.6377 -0.1954 -0.1954 -0.1630 -0.1630 -0.1062 -0.1062 -0.0920 -0.0920 -0.0808 -0.0808 -0.0058 -0.0058 9.7060 9.7060 9.8745 9.8745 9.9814 9.9814 10.4277 10.4277 10.8015 10.8015 k = 0.3333 0.3831 0.5169 ( 5077 PWs) bands (ev): -22.2399 -22.2399 -22.1986 -22.1986 -20.2577 -20.2577 -20.2545 -20.2545 -18.9910 -18.9910 -18.9778 -18.9778 -7.0480 -7.0480 -6.9477 -6.9477 -6.3076 -6.3076 -6.1620 -6.1620 -6.0000 -6.0000 -5.9530 -5.9530 -4.3214 -4.3214 -4.2221 -4.2221 -0.9358 -0.9358 -0.8246 -0.8246 -0.6631 -0.6631 -0.6352 -0.6352 -0.1993 -0.1993 -0.1673 -0.1673 -0.1052 -0.1052 -0.0950 -0.0950 -0.0803 -0.0803 -0.0028 -0.0028 9.6926 9.6926 9.8944 9.8944 9.9632 9.9632 10.4531 10.4531 10.7361 10.7361 k = 0.3409 0.3918 0.5036 ( 5085 PWs) bands (ev): -22.2412 -22.2412 -22.1971 -22.1971 -20.2577 -20.2577 -20.2544 -20.2544 -18.9918 -18.9918 -18.9779 -18.9779 -7.0533 -7.0533 -6.9451 -6.9451 -6.3122 -6.3122 -6.1618 -6.1618 -5.9974 -5.9974 -5.9428 -5.9428 -4.3264 -4.3264 -4.2159 -4.2159 -0.9414 -0.9414 -0.8284 -0.8284 -0.6601 -0.6601 -0.6328 -0.6328 -0.2027 -0.2027 -0.1714 -0.1714 -0.1044 -0.1044 -0.0982 -0.0982 -0.0790 -0.0790 -0.0008 -0.0008 9.6819 9.6819 9.9163 9.9163 9.9450 9.9450 10.4752 10.4752 10.6743 10.6743 k = 0.3485 0.4005 0.4903 ( 5087 PWs) bands (ev): -22.2423 -22.2423 -22.1957 -22.1957 -20.2580 -20.2580 -20.2539 -20.2539 -18.9925 -18.9925 -18.9781 -18.9781 -7.0585 -7.0585 -6.9427 -6.9427 -6.3161 -6.3161 -6.1622 -6.1622 -5.9947 -5.9947 -5.9320 -5.9320 -4.3315 -4.3315 -4.2095 -4.2095 -0.9468 -0.9468 -0.8333 -0.8333 -0.6574 -0.6574 -0.6309 -0.6309 -0.2056 -0.2056 -0.1751 -0.1751 -0.1038 -0.1038 -0.1013 -0.1013 -0.0772 -0.0772 0.0001 0.0001 9.6740 9.6740 9.9161 9.9161 9.9510 9.9510 10.4944 10.4944 10.6162 10.6162 k = 0.3561 0.4092 0.4771 ( 5083 PWs) bands (ev): -22.2434 -22.2434 -22.1943 -22.1943 -20.2586 -20.2586 -20.2532 -20.2532 -18.9932 -18.9932 -18.9783 -18.9783 -7.0637 -7.0637 -6.9405 -6.9405 -6.3193 -6.3193 -6.1631 -6.1631 -5.9919 -5.9919 -5.9208 -5.9208 -4.3367 -4.3367 -4.2029 -4.2029 -0.9520 -0.9520 -0.8392 -0.8392 -0.6549 -0.6549 -0.6294 -0.6294 -0.2080 -0.2080 -0.1785 -0.1785 -0.1052 -0.1052 -0.1026 -0.1026 -0.0749 -0.0749 0.0001 0.0001 9.6687 9.6687 9.8942 9.8942 9.9808 9.9808 10.5108 10.5108 10.5622 10.5622 k = 0.3636 0.4179 0.4638 ( 5089 PWs) bands (ev): -22.2443 -22.2443 -22.1930 -22.1930 -20.2594 -20.2594 -20.2523 -20.2523 -18.9939 -18.9939 -18.9786 -18.9786 -7.0687 -7.0687 -6.9385 -6.9385 -6.3218 -6.3218 -6.1644 -6.1644 -5.9891 -5.9891 -5.9094 -5.9094 -4.3419 -4.3419 -4.1960 -4.1960 -0.9570 -0.9570 -0.8461 -0.8461 -0.6527 -0.6527 -0.6285 -0.6285 -0.2098 -0.2098 -0.1814 -0.1814 -0.1082 -0.1082 -0.1022 -0.1022 -0.0723 -0.0723 -0.0008 -0.0008 9.6656 9.6656 9.8699 9.8699 10.0153 10.0153 10.5119 10.5119 10.5251 10.5251 k = 0.3712 0.4266 0.4505 ( 5090 PWs) bands (ev): -22.2451 -22.2451 -22.1917 -22.1917 -20.2605 -20.2605 -20.2512 -20.2512 -18.9946 -18.9946 -18.9791 -18.9791 -7.0736 -7.0736 -6.9367 -6.9367 -6.3236 -6.3236 -6.1660 -6.1660 -5.9861 -5.9861 -5.8978 -5.8978 -4.3473 -4.3473 -4.1889 -4.1889 -0.9618 -0.9618 -0.8540 -0.8540 -0.6510 -0.6510 -0.6284 -0.6284 -0.2111 -0.2111 -0.1840 -0.1840 -0.1112 -0.1112 -0.1016 -0.1016 -0.0695 -0.0695 -0.0025 -0.0025 9.6640 9.6640 9.8450 9.8450 10.0531 10.0531 10.4670 10.4670 10.5364 10.5364 k = 0.3788 0.4353 0.4373 ( 5090 PWs) bands (ev): -22.2458 -22.2458 -22.1905 -22.1905 -20.2617 -20.2617 -20.2500 -20.2500 -18.9952 -18.9952 -18.9796 -18.9796 -7.0783 -7.0783 -6.9351 -6.9351 -6.3247 -6.3247 -6.1678 -6.1678 -5.9831 -5.9831 -5.8861 -5.8861 -4.3527 -4.3527 -4.1815 -4.1815 -0.9662 -0.9662 -0.8628 -0.8628 -0.6497 -0.6497 -0.6290 -0.6290 -0.2118 -0.2118 -0.1863 -0.1863 -0.1139 -0.1139 -0.1009 -0.1009 -0.0666 -0.0666 -0.0049 -0.0049 9.6629 9.6629 9.8208 9.8208 10.0930 10.0930 10.4273 10.4273 10.5460 10.5460 k = 0.3864 0.4440 0.4240 ( 5091 PWs) bands (ev): -22.2463 -22.2463 -22.1894 -22.1894 -20.2631 -20.2631 -20.2487 -20.2487 -18.9958 -18.9958 -18.9802 -18.9802 -7.0828 -7.0828 -6.9337 -6.9337 -6.3251 -6.3251 -6.1697 -6.1697 -5.9800 -5.9800 -5.8745 -5.8745 -4.3582 -4.3582 -4.1740 -4.1740 -0.9703 -0.9703 -0.8725 -0.8725 -0.6489 -0.6489 -0.6302 -0.6302 -0.2122 -0.2122 -0.1881 -0.1881 -0.1164 -0.1164 -0.1001 -0.1001 -0.0637 -0.0637 -0.0077 -0.0077 9.6602 9.6602 9.7996 9.7996 10.1333 10.1333 10.3947 10.3947 10.5539 10.5539 k = 0.3939 0.4528 0.4108 ( 5091 PWs) bands (ev): -22.2468 -22.2468 -22.1884 -22.1884 -20.2646 -20.2646 -20.2473 -20.2473 -18.9964 -18.9964 -18.9808 -18.9808 -7.0870 -7.0870 -6.9324 -6.9324 -6.3249 -6.3249 -6.1718 -6.1718 -5.9769 -5.9769 -5.8631 -5.8631 -4.3637 -4.3637 -4.1663 -4.1663 -0.9740 -0.9740 -0.8830 -0.8830 -0.6490 -0.6490 -0.6318 -0.6318 -0.2125 -0.2125 -0.1893 -0.1893 -0.1186 -0.1186 -0.0992 -0.0992 -0.0610 -0.0610 -0.0105 -0.0105 9.6529 9.6529 9.7842 9.7842 10.1699 10.1699 10.3733 10.3733 10.5605 10.5605 k = 0.4015 0.4615 0.3975 ( 5091 PWs) bands (ev): -22.2471 -22.2471 -22.1874 -22.1874 -20.2662 -20.2662 -20.2458 -20.2458 -18.9969 -18.9969 -18.9816 -18.9816 -7.0910 -7.0910 -6.9314 -6.9314 -6.3241 -6.3241 -6.1739 -6.1739 -5.9737 -5.9737 -5.8519 -5.8519 -4.3692 -4.3692 -4.1584 -4.1584 -0.9773 -0.9773 -0.8943 -0.8943 -0.6504 -0.6504 -0.6333 -0.6333 -0.2134 -0.2134 -0.1896 -0.1896 -0.1206 -0.1206 -0.0981 -0.0981 -0.0589 -0.0589 -0.0131 -0.0131 9.6383 9.6383 9.7772 9.7772 10.1951 10.1951 10.3707 10.3707 10.5662 10.5662 k = 0.4091 0.4702 0.3842 ( 5093 PWs) bands (ev): -22.2473 -22.2473 -22.1865 -22.1865 -20.2679 -20.2679 -20.2443 -20.2443 -18.9974 -18.9974 -18.9824 -18.9824 -7.0946 -7.0946 -6.9305 -6.9305 -6.3228 -6.3228 -6.1760 -6.1760 -5.9705 -5.9705 -5.8411 -5.8411 -4.3748 -4.3748 -4.1504 -4.1504 -0.9800 -0.9800 -0.9063 -0.9063 -0.6534 -0.6534 -0.6341 -0.6341 -0.2154 -0.2154 -0.1886 -0.1886 -0.1223 -0.1223 -0.0970 -0.0970 -0.0577 -0.0577 -0.0148 -0.0148 9.6164 9.6164 9.7788 9.7788 10.2019 10.2019 10.3939 10.3939 10.5713 10.5713 k = 0.4167 0.4789 0.3710 ( 5095 PWs) bands (ev): -22.2474 -22.2474 -22.1857 -22.1857 -20.2697 -20.2697 -20.2427 -20.2427 -18.9979 -18.9979 -18.9833 -18.9833 -7.0979 -7.0979 -6.9299 -6.9299 -6.3210 -6.3210 -6.1781 -6.1781 -5.9672 -5.9672 -5.8308 -5.8308 -4.3803 -4.3803 -4.1423 -4.1423 -0.9822 -0.9822 -0.9191 -0.9191 -0.6582 -0.6582 -0.6343 -0.6343 -0.2188 -0.2188 -0.1862 -0.1862 -0.1236 -0.1236 -0.0957 -0.0957 -0.0576 -0.0576 -0.0151 -0.0151 9.5890 9.5890 9.7866 9.7866 10.1945 10.1945 10.4384 10.4384 10.5763 10.5763 k = 0.4242 0.4876 0.3577 ( 5099 PWs) bands (ev): -22.2474 -22.2474 -22.1850 -22.1850 -20.2716 -20.2716 -20.2410 -20.2410 -18.9984 -18.9984 -18.9842 -18.9842 -7.1008 -7.1008 -6.9294 -6.9294 -6.3187 -6.3187 -6.1802 -6.1802 -5.9639 -5.9639 -5.8209 -5.8209 -4.3859 -4.3859 -4.1341 -4.1341 -0.9839 -0.9839 -0.9323 -0.9323 -0.6643 -0.6643 -0.6338 -0.6338 -0.2238 -0.2238 -0.1826 -0.1826 -0.1247 -0.1247 -0.0943 -0.0943 -0.0589 -0.0589 -0.0138 -0.0138 9.5584 9.5584 9.7980 9.7980 10.1816 10.1816 10.4957 10.4957 10.5817 10.5817 k = 0.4318 0.4963 0.3444 ( 5102 PWs) bands (ev): -22.2472 -22.2472 -22.1844 -22.1844 -20.2736 -20.2736 -20.2393 -20.2393 -18.9988 -18.9988 -18.9852 -18.9852 -7.1033 -7.1033 -6.9292 -6.9292 -6.3161 -6.3161 -6.1822 -6.1822 -5.9605 -5.9605 -5.8116 -5.8116 -4.3915 -4.3915 -4.1259 -4.1259 -0.9850 -0.9850 -0.9460 -0.9460 -0.6715 -0.6715 -0.6331 -0.6331 -0.2301 -0.2301 -0.1780 -0.1780 -0.1256 -0.1256 -0.0929 -0.0929 -0.0611 -0.0611 -0.0111 -0.0111 9.5260 9.5260 9.8113 9.8113 10.1679 10.1679 10.5605 10.5605 10.5881 10.5881 k = 0.4394 0.5050 0.3312 ( 5104 PWs) bands (ev): -22.2470 -22.2470 -22.1838 -22.1838 -20.2756 -20.2756 -20.2375 -20.2375 -18.9993 -18.9993 -18.9862 -18.9862 -7.1054 -7.1054 -6.9291 -6.9291 -6.3131 -6.3131 -6.1842 -6.1842 -5.9570 -5.9570 -5.8030 -5.8030 -4.3970 -4.3970 -4.1176 -4.1176 -0.9859 -0.9859 -0.9596 -0.9596 -0.6795 -0.6795 -0.6321 -0.6321 -0.2379 -0.2379 -0.1727 -0.1727 -0.1261 -0.1261 -0.0916 -0.0916 -0.0638 -0.0638 -0.0072 -0.0072 9.4929 9.4929 9.8247 9.8247 10.1556 10.1556 10.5957 10.5957 10.6313 10.6313 k = 0.4470 0.5137 0.3179 ( 5106 PWs) bands (ev): -22.2467 -22.2467 -22.1834 -22.1834 -20.2776 -20.2776 -20.2357 -20.2357 -18.9996 -18.9996 -18.9873 -18.9873 -7.1071 -7.1071 -6.9292 -6.9292 -6.3098 -6.3098 -6.1861 -6.1861 -5.9535 -5.9535 -5.7952 -5.7952 -4.4025 -4.4025 -4.1094 -4.1094 -0.9878 -0.9878 -0.9718 -0.9718 -0.6882 -0.6882 -0.6310 -0.6310 -0.2470 -0.2470 -0.1670 -0.1670 -0.1265 -0.1265 -0.0904 -0.0904 -0.0664 -0.0664 -0.0025 -0.0025 9.4596 9.4596 9.8371 9.8371 10.1456 10.1456 10.6060 10.6060 10.7061 10.7061 k = 0.4545 0.5224 0.3046 ( 5106 PWs) bands (ev): -22.2463 -22.2463 -22.1831 -22.1831 -20.2796 -20.2796 -20.2339 -20.2339 -19.0000 -19.0000 -18.9884 -18.9884 -7.1083 -7.1083 -6.9295 -6.9295 -6.3063 -6.3063 -6.1880 -6.1880 -5.9500 -5.9500 -5.7881 -5.7881 -4.4080 -4.4080 -4.1011 -4.1011 -0.9956 -0.9956 -0.9775 -0.9775 -0.6973 -0.6973 -0.6298 -0.6298 -0.2574 -0.2574 -0.1608 -0.1608 -0.1265 -0.1265 -0.0894 -0.0894 -0.0687 -0.0687 0.0028 0.0028 9.4266 9.4266 9.8472 9.8472 10.1383 10.1383 10.6193 10.6193 10.7847 10.7847 k = 0.4621 0.5311 0.2914 ( 5098 PWs) bands (ev): -22.2457 -22.2457 -22.1829 -22.1829 -20.2817 -20.2817 -20.2321 -20.2321 -19.0004 -19.0004 -18.9895 -18.9895 -7.1090 -7.1090 -6.9299 -6.9299 -6.3025 -6.3025 -6.1899 -6.1899 -5.9464 -5.9464 -5.7818 -5.7818 -4.4133 -4.4133 -4.0930 -4.0930 -1.0086 -1.0086 -0.9771 -0.9771 -0.7067 -0.7067 -0.6286 -0.6286 -0.2690 -0.2690 -0.1544 -0.1544 -0.1263 -0.1263 -0.0888 -0.0888 -0.0703 -0.0703 0.0086 0.0086 9.3943 9.3943 9.8539 9.8539 10.1340 10.1340 10.6363 10.6363 10.8667 10.8667 k = 0.4697 0.5398 0.2781 ( 5092 PWs) bands (ev): -22.2451 -22.2451 -22.1828 -22.1828 -20.2836 -20.2836 -20.2302 -20.2302 -19.0007 -19.0007 -18.9906 -18.9906 -7.1093 -7.1093 -6.9306 -6.9306 -6.2986 -6.2986 -6.1916 -6.1916 -5.9428 -5.9428 -5.7765 -5.7765 -4.4186 -4.4186 -4.0850 -4.0850 -1.0229 -1.0229 -0.9746 -0.9746 -0.7164 -0.7164 -0.6275 -0.6275 -0.2815 -0.2815 -0.1478 -0.1478 -0.1259 -0.1259 -0.0887 -0.0887 -0.0711 -0.0711 0.0146 0.0146 9.3629 9.3629 9.8562 9.8562 10.1328 10.1328 10.6577 10.6577 10.9517 10.9517 k = 0.4773 0.5485 0.2648 ( 5090 PWs) bands (ev): -22.2445 -22.2445 -22.1828 -22.1828 -20.2856 -20.2856 -20.2284 -20.2284 -19.0010 -19.0010 -18.9917 -18.9917 -7.1090 -7.1090 -6.9314 -6.9314 -6.2946 -6.2946 -6.1934 -6.1934 -5.9392 -5.9392 -5.7720 -5.7720 -4.4239 -4.4239 -4.0771 -4.0771 -1.0374 -1.0374 -0.9709 -0.9709 -0.7263 -0.7263 -0.6264 -0.6264 -0.2949 -0.2949 -0.1412 -0.1412 -0.1253 -0.1253 -0.0890 -0.0890 -0.0710 -0.0710 0.0207 0.0207 9.3327 9.3327 9.8534 9.8534 10.1347 10.1347 10.6838 10.6838 10.9313 10.9313 k = 0.4848 0.5572 0.2516 ( 5085 PWs) bands (ev): -22.2437 -22.2437 -22.1829 -22.1829 -20.2874 -20.2874 -20.2266 -20.2266 -19.0013 -19.0013 -18.9928 -18.9928 -7.1083 -7.1083 -6.9324 -6.9324 -6.2905 -6.2905 -6.1951 -6.1951 -5.9355 -5.9355 -5.7686 -5.7686 -4.4289 -4.4289 -4.0695 -4.0695 -1.0516 -1.0516 -0.9663 -0.9663 -0.7362 -0.7362 -0.6254 -0.6254 -0.3090 -0.3090 -0.1347 -0.1347 -0.1245 -0.1245 -0.0896 -0.0896 -0.0703 -0.0703 0.0270 0.0270 9.3039 9.3039 9.8449 9.8449 10.1396 10.1396 10.7150 10.7150 10.8854 10.8854 k = 0.4924 0.5659 0.2383 ( 5084 PWs) bands (ev): -22.2429 -22.2429 -22.1832 -22.1832 -20.2892 -20.2892 -20.2247 -20.2247 -19.0016 -19.0016 -18.9939 -18.9939 -7.1071 -7.1071 -6.9335 -6.9335 -6.2864 -6.2864 -6.1968 -6.1968 -5.9319 -5.9319 -5.7662 -5.7662 -4.4339 -4.4339 -4.0620 -4.0620 -1.0653 -1.0653 -0.9609 -0.9609 -0.7462 -0.7462 -0.6245 -0.6245 -0.3234 -0.3234 -0.1282 -0.1282 -0.1234 -0.1234 -0.0903 -0.0903 -0.0691 -0.0691 0.0332 0.0332 9.2767 9.2767 9.8306 9.8306 10.1477 10.1477 10.7509 10.7509 10.8421 10.8421 k = 0.5000 0.5746 0.2251 ( 5088 PWs) bands (ev): -22.2420 -22.2420 -22.1836 -22.1836 -20.2909 -20.2909 -20.2230 -20.2230 -19.0018 -19.0018 -18.9949 -18.9949 -7.1055 -7.1055 -6.9348 -6.9348 -6.2823 -6.2823 -6.1984 -6.1984 -5.9283 -5.9283 -5.7648 -5.7648 -4.4388 -4.4388 -4.0549 -4.0549 -1.0784 -1.0784 -0.9547 -0.9547 -0.7561 -0.7561 -0.6238 -0.6238 -0.3381 -0.3381 -0.1227 -0.1227 -0.1213 -0.1213 -0.0910 -0.0910 -0.0676 -0.0676 0.0393 0.0393 9.2512 9.2512 9.8105 9.8105 10.1589 10.1589 10.7886 10.7886 10.8044 10.8044 k = 0.5000 0.5746 0.2251 ( 5088 PWs) bands (ev): -22.2420 -22.2420 -22.1836 -22.1836 -20.2909 -20.2909 -20.2230 -20.2230 -19.0018 -19.0018 -18.9949 -18.9949 -7.1055 -7.1055 -6.9348 -6.9348 -6.2823 -6.2823 -6.1984 -6.1984 -5.9283 -5.9283 -5.7648 -5.7648 -4.4388 -4.4388 -4.0549 -4.0549 -1.0784 -1.0784 -0.9547 -0.9547 -0.7561 -0.7561 -0.6238 -0.6238 -0.3381 -0.3381 -0.1227 -0.1227 -0.1213 -0.1213 -0.0910 -0.0910 -0.0676 -0.0676 0.0393 0.0393 9.2512 9.2512 9.8105 9.8105 10.1589 10.1589 10.7886 10.7886 10.8044 10.8044 k = 0.5000 0.5746 0.2077 ( 5088 PWs) bands (ev): -22.2408 -22.2408 -22.1842 -22.1842 -20.2930 -20.2930 -20.2207 -20.2207 -19.0021 -19.0021 -18.9963 -18.9963 -7.1030 -7.1030 -6.9366 -6.9366 -6.2770 -6.2770 -6.2006 -6.2006 -5.9236 -5.9236 -5.7638 -5.7638 -4.4449 -4.4449 -4.0460 -4.0460 -1.0946 -1.0946 -0.9460 -0.9460 -0.7689 -0.7689 -0.6230 -0.6230 -0.3573 -0.3573 -0.1193 -0.1193 -0.1150 -0.1150 -0.0919 -0.0919 -0.0654 -0.0654 0.0472 0.0472 9.2200 9.2200 9.7811 9.7811 10.1752 10.1752 10.7537 10.7537 10.8458 10.8458 k = 0.5000 0.5746 0.1904 ( 5088 PWs) bands (ev): -22.2396 -22.2396 -22.1847 -22.1847 -20.2950 -20.2950 -20.2186 -20.2186 -19.0024 -19.0024 -18.9975 -18.9975 -7.1006 -7.1006 -6.9384 -6.9384 -6.2720 -6.2720 -6.2028 -6.2028 -5.9188 -5.9188 -5.7627 -5.7627 -4.4507 -4.4507 -4.0375 -4.0375 -1.1100 -1.1100 -0.9369 -0.9369 -0.7814 -0.7814 -0.6222 -0.6222 -0.3764 -0.3764 -0.1162 -0.1162 -0.1087 -0.1087 -0.0929 -0.0929 -0.0630 -0.0630 0.0547 0.0547 9.1907 9.1907 9.7529 9.7529 10.1907 10.1907 10.7112 10.7112 10.8990 10.8990 k = 0.5000 0.5746 0.1731 ( 5092 PWs) bands (ev): -22.2386 -22.2386 -22.1853 -22.1853 -20.2968 -20.2968 -20.2166 -20.2166 -19.0027 -19.0027 -18.9987 -18.9987 -7.0983 -7.0983 -6.9401 -6.9401 -6.2673 -6.2673 -6.2050 -6.2050 -5.9141 -5.9141 -5.7618 -5.7618 -4.4562 -4.4562 -4.0295 -4.0295 -1.1244 -1.1244 -0.9276 -0.9276 -0.7935 -0.7935 -0.6215 -0.6215 -0.3952 -0.3952 -0.1134 -0.1134 -0.1026 -0.1026 -0.0938 -0.0938 -0.0605 -0.0605 0.0618 0.0618 9.1634 9.1634 9.7261 9.7261 10.2053 10.2053 10.6725 10.6725 10.9521 10.9521 k = 0.5000 0.5746 0.1558 ( 5092 PWs) bands (ev): -22.2376 -22.2376 -22.1858 -22.1858 -20.2985 -20.2985 -20.2147 -20.2147 -19.0030 -19.0030 -18.9998 -18.9998 -7.0960 -7.0960 -6.9419 -6.9419 -6.2628 -6.2628 -6.2073 -6.2073 -5.9095 -5.9095 -5.7609 -5.7609 -4.4613 -4.4613 -4.0220 -4.0220 -1.1377 -1.1377 -0.9181 -0.9181 -0.8050 -0.8050 -0.6208 -0.6208 -0.4135 -0.4135 -0.1109 -0.1109 -0.0974 -0.0974 -0.0942 -0.0942 -0.0580 -0.0580 0.0684 0.0684 9.1382 9.1382 9.7009 9.7009 10.2190 10.2190 10.6378 10.6378 11.0046 11.0046 k = 0.5000 0.5746 0.1385 ( 5088 PWs) bands (ev): -22.2367 -22.2367 -22.1862 -22.1862 -20.3001 -20.3001 -20.2130 -20.2130 -19.0033 -19.0033 -19.0007 -19.0007 -7.0939 -7.0939 -6.9436 -6.9436 -6.2586 -6.2586 -6.2097 -6.2097 -5.9051 -5.9051 -5.7600 -5.7600 -4.4659 -4.4659 -4.0151 -4.0151 -1.1499 -1.1499 -0.9086 -0.9086 -0.8157 -0.8157 -0.6201 -0.6201 -0.4311 -0.4311 -0.1087 -0.1087 -0.0965 -0.0965 -0.0908 -0.0908 -0.0554 -0.0554 0.0745 0.0745 9.1153 9.1153 9.6777 9.6777 10.2316 10.2316 10.6070 10.6070 11.0561 11.0561 k = 0.5000 0.5746 0.1212 ( 5088 PWs) bands (ev): -22.2359 -22.2359 -22.1866 -22.1866 -20.3015 -20.3015 -20.2115 -20.2115 -19.0036 -19.0036 -19.0016 -19.0016 -7.0919 -7.0919 -6.9452 -6.9452 -6.2546 -6.2546 -6.2121 -6.2121 -5.9010 -5.9010 -5.7593 -5.7593 -4.4701 -4.4701 -4.0089 -4.0089 -1.1608 -1.1608 -0.8992 -0.8992 -0.8255 -0.8255 -0.6195 -0.6195 -0.4477 -0.4477 -0.1068 -0.1068 -0.0972 -0.0972 -0.0863 -0.0863 -0.0529 -0.0529 0.0800 0.0800 9.0948 9.0948 9.6566 9.6566 10.2430 10.2430 10.5801 10.5801 11.1058 11.1058 k = 0.5000 0.5746 0.1039 ( 5092 PWs) bands (ev): -22.2352 -22.2352 -22.1870 -22.1870 -20.3027 -20.3027 -20.2101 -20.2101 -19.0038 -19.0038 -19.0024 -19.0024 -7.0901 -7.0901 -6.9467 -6.9467 -6.2507 -6.2507 -6.2146 -6.2146 -5.8972 -5.8972 -5.7586 -5.7586 -4.4738 -4.4738 -4.0034 -4.0034 -1.1705 -1.1705 -0.8903 -0.8903 -0.8342 -0.8342 -0.6190 -0.6190 -0.4630 -0.4630 -0.1052 -0.1052 -0.0979 -0.0979 -0.0824 -0.0824 -0.0504 -0.0504 0.0849 0.0849 9.0769 9.0769 9.6378 9.6378 10.2532 10.2532 10.5570 10.5570 11.1531 11.1531 k = 0.5000 0.5746 0.0866 ( 5092 PWs) bands (ev): -22.2346 -22.2346 -22.1873 -22.1873 -20.3037 -20.3037 -20.2090 -20.2090 -19.0040 -19.0040 -19.0031 -19.0031 -7.0885 -7.0885 -6.9480 -6.9480 -6.2471 -6.2471 -6.2171 -6.2171 -5.8939 -5.8939 -5.7580 -5.7580 -4.4770 -4.4770 -3.9987 -3.9987 -1.1787 -1.1787 -0.8821 -0.8821 -0.8418 -0.8418 -0.6185 -0.6185 -0.4768 -0.4768 -0.1039 -0.1039 -0.0985 -0.0985 -0.0791 -0.0791 -0.0480 -0.0480 0.0891 0.0891 9.0615 9.0615 9.6216 9.6216 10.2619 10.2619 10.5376 10.5376 11.1969 11.1969 k = 0.5000 0.5746 0.0692 ( 5092 PWs) bands (ev): -22.2341 -22.2341 -22.1875 -22.1875 -20.3046 -20.3046 -20.2080 -20.2080 -19.0042 -19.0042 -19.0036 -19.0036 -7.0872 -7.0872 -6.9491 -6.9491 -6.2436 -6.2436 -6.2197 -6.2197 -5.8911 -5.8911 -5.7576 -5.7576 -4.4796 -4.4796 -3.9948 -3.9948 -1.1856 -1.1856 -0.8747 -0.8747 -0.8481 -0.8481 -0.6181 -0.6181 -0.4888 -0.4888 -0.1029 -0.1029 -0.0989 -0.0989 -0.0765 -0.0765 -0.0459 -0.0459 0.0925 0.0925 9.0489 9.0489 9.6080 9.6080 10.2692 10.2692 10.5218 10.5218 11.2359 11.2359 k = 0.5000 0.5746 0.0519 ( 5094 PWs) bands (ev): -22.2337 -22.2337 -22.1877 -22.1877 -20.3053 -20.3053 -20.2072 -20.2072 -19.0044 -19.0044 -19.0040 -19.0040 -7.0861 -7.0861 -6.9501 -6.9501 -6.2403 -6.2403 -6.2224 -6.2224 -5.8888 -5.8888 -5.7572 -5.7572 -4.4817 -4.4817 -3.9917 -3.9917 -1.1910 -1.1910 -0.8687 -0.8687 -0.8529 -0.8529 -0.6177 -0.6177 -0.4985 -0.4985 -0.1023 -0.1023 -0.0991 -0.0991 -0.0745 -0.0745 -0.0441 -0.0441 0.0953 0.0953 9.0389 9.0389 9.5974 9.5974 10.2750 10.2750 10.5096 10.5096 11.2688 11.2688 k = 0.5000 0.5746 0.0346 ( 5094 PWs) bands (ev): -22.2334 -22.2334 -22.1878 -22.1878 -20.3058 -20.3058 -20.2067 -20.2067 -19.0046 -19.0046 -19.0042 -19.0042 -7.0854 -7.0854 -6.9507 -6.9507 -6.2371 -6.2371 -6.2251 -6.2251 -5.8872 -5.8872 -5.7569 -5.7569 -4.4831 -4.4831 -3.9895 -3.9895 -1.1949 -1.1949 -0.8644 -0.8644 -0.8562 -0.8562 -0.6175 -0.6175 -0.5058 -0.5058 -0.1020 -0.1020 -0.0991 -0.0991 -0.0731 -0.0731 -0.0428 -0.0428 0.0972 0.0972 9.0318 9.0318 9.5897 9.5897 10.2791 10.2791 10.5009 10.5009 11.2940 11.2940 k = 0.5000 0.5746 0.0173 ( 5094 PWs) bands (ev): -22.2333 -22.2333 -22.1879 -22.1879 -20.3061 -20.3061 -20.2064 -20.2064 -19.0047 -19.0047 -19.0044 -19.0044 -7.0849 -7.0849 -6.9511 -6.9511 -6.2341 -6.2341 -6.2279 -6.2279 -5.8862 -5.8862 -5.7568 -5.7568 -4.4840 -4.4840 -3.9882 -3.9882 -1.1972 -1.1972 -0.8623 -0.8623 -0.8575 -0.8575 -0.6173 -0.6173 -0.5102 -0.5102 -0.1019 -0.1019 -0.0990 -0.0990 -0.0723 -0.0723 -0.0419 -0.0419 0.0984 0.0984 9.0275 9.0275 9.5850 9.5850 10.2816 10.2816 10.4958 10.4958 11.3098 11.3098 k = 0.5000 0.5746-0.0000 ( 5088 PWs) bands (ev): -22.2332 -22.2332 -22.1879 -22.1879 -20.3062 -20.3062 -20.2062 -20.2062 -19.0048 -19.0048 -19.0044 -19.0044 -7.0847 -7.0847 -6.9513 -6.9513 -6.2318 -6.2318 -6.2300 -6.2300 -5.8859 -5.8859 -5.7567 -5.7567 -4.4843 -4.4843 -3.9877 -3.9877 -1.1980 -1.1980 -0.8620 -0.8620 -0.8575 -0.8575 -0.6173 -0.6173 -0.5118 -0.5118 -0.1019 -0.1019 -0.0990 -0.0990 -0.0721 -0.0721 -0.0416 -0.0416 0.0988 0.0988 9.0261 9.0261 9.5835 9.5835 10.2825 10.2825 10.4940 10.4940 11.3152 11.3152 k = 0.0000 0.0000 0.6628 ( 5114 PWs) bands (ev): -22.2668 -22.2668 -22.1711 -22.1711 -20.2697 -20.2697 -20.2450 -20.2450 -18.9984 -18.9984 -18.9671 -18.9671 -7.1444 -7.1444 -6.9198 -6.9198 -6.4081 -6.4081 -6.1621 -6.1621 -5.9730 -5.9730 -5.7824 -5.7824 -4.3495 -4.3495 -4.1928 -4.1928 -1.0253 -1.0253 -0.7306 -0.7306 -0.6835 -0.6835 -0.6021 -0.6021 -0.2722 -0.2722 -0.2360 -0.2360 -0.0957 -0.0957 -0.0623 -0.0623 -0.0605 -0.0605 0.0546 0.0546 9.4843 9.4843 9.8568 9.8568 9.8847 9.8847 10.0500 10.0500 10.4010 10.4010 k = 0.0114 0.0131 0.6628 ( 5118 PWs) bands (ev): -22.2667 -22.2667 -22.1712 -22.1712 -20.2697 -20.2697 -20.2450 -20.2450 -18.9984 -18.9984 -18.9672 -18.9672 -7.1439 -7.1439 -6.9200 -6.9200 -6.4077 -6.4077 -6.1620 -6.1620 -5.9732 -5.9732 -5.7834 -5.7834 -4.3493 -4.3493 -4.1930 -4.1930 -1.0248 -1.0248 -0.7305 -0.7305 -0.6841 -0.6841 -0.6023 -0.6023 -0.2718 -0.2718 -0.2356 -0.2356 -0.0957 -0.0957 -0.0624 -0.0624 -0.0605 -0.0605 0.0543 0.0543 9.4853 9.4853 9.8576 9.8576 9.8885 9.8885 10.0503 10.0503 10.3994 10.3994 k = 0.0227 0.0261 0.6628 ( 5118 PWs) bands (ev): -22.2663 -22.2663 -22.1716 -22.1716 -20.2696 -20.2696 -20.2451 -20.2451 -18.9983 -18.9983 -18.9673 -18.9673 -7.1424 -7.1424 -6.9203 -6.9203 -6.4066 -6.4066 -6.1618 -6.1618 -5.9737 -5.9737 -5.7863 -5.7863 -4.3487 -4.3487 -4.1937 -4.1937 -1.0235 -1.0235 -0.7300 -0.7300 -0.6858 -0.6858 -0.6028 -0.6028 -0.2705 -0.2705 -0.2343 -0.2343 -0.0957 -0.0957 -0.0627 -0.0627 -0.0605 -0.0605 0.0532 0.0532 9.4883 9.4883 9.8599 9.8599 9.9000 9.9000 10.0513 10.0513 10.3949 10.3949 k = 0.0341 0.0392 0.6628 ( 5110 PWs) bands (ev): -22.2657 -22.2657 -22.1722 -22.1722 -20.2694 -20.2694 -20.2452 -20.2452 -18.9981 -18.9981 -18.9675 -18.9675 -7.1399 -7.1399 -6.9208 -6.9208 -6.4047 -6.4047 -6.1614 -6.1614 -5.9745 -5.9745 -5.7911 -5.7911 -4.3478 -4.3478 -4.1947 -4.1947 -1.0214 -1.0214 -0.7292 -0.7292 -0.6886 -0.6886 -0.6036 -0.6036 -0.2683 -0.2683 -0.2322 -0.2322 -0.0958 -0.0958 -0.0632 -0.0632 -0.0606 -0.0606 0.0515 0.0515 9.4933 9.4933 9.8639 9.8639 9.9192 9.9192 10.0530 10.0530 10.3874 10.3874 k = 0.0455 0.0522 0.6628 ( 5102 PWs) bands (ev): -22.2649 -22.2649 -22.1731 -22.1731 -20.2692 -20.2692 -20.2455 -20.2455 -18.9978 -18.9978 -18.9677 -18.9677 -7.1364 -7.1364 -6.9215 -6.9215 -6.4020 -6.4020 -6.1608 -6.1608 -5.9757 -5.9757 -5.7978 -5.7978 -4.3465 -4.3465 -4.1962 -4.1962 -1.0184 -1.0184 -0.7281 -0.7281 -0.6926 -0.6926 -0.6047 -0.6047 -0.2653 -0.2653 -0.2292 -0.2292 -0.0959 -0.0959 -0.0638 -0.0638 -0.0607 -0.0607 0.0491 0.0491 9.5003 9.5003 9.8694 9.8694 9.9459 9.9459 10.0553 10.0553 10.3769 10.3769 k = 0.0568 0.0653 0.6628 ( 5106 PWs) bands (ev): -22.2638 -22.2638 -22.1742 -22.1742 -20.2689 -20.2689 -20.2457 -20.2457 -18.9974 -18.9974 -18.9681 -18.9681 -7.1319 -7.1319 -6.9225 -6.9225 -6.3986 -6.3986 -6.1601 -6.1601 -5.9771 -5.9771 -5.8062 -5.8062 -4.3449 -4.3449 -4.1981 -4.1981 -1.0145 -1.0145 -0.7266 -0.7266 -0.6975 -0.6975 -0.6062 -0.6062 -0.2615 -0.2615 -0.2255 -0.2255 -0.0961 -0.0961 -0.0646 -0.0646 -0.0608 -0.0608 0.0459 0.0459 9.5091 9.5091 9.8765 9.8765 9.9801 9.9801 10.0583 10.0583 10.3637 10.3637 k = 0.0682 0.0784 0.6628 ( 5100 PWs) bands (ev): -22.2626 -22.2626 -22.1755 -22.1755 -20.2686 -20.2686 -20.2461 -20.2461 -18.9969 -18.9969 -18.9685 -18.9685 -7.1266 -7.1266 -6.9237 -6.9237 -6.3944 -6.3944 -6.1594 -6.1594 -5.9789 -5.9789 -5.8163 -5.8163 -4.3429 -4.3429 -4.2004 -4.2004 -1.0099 -1.0099 -0.7249 -0.7249 -0.7033 -0.7033 -0.6080 -0.6080 -0.2571 -0.2571 -0.2210 -0.2210 -0.0964 -0.0964 -0.0655 -0.0655 -0.0611 -0.0611 0.0422 0.0422 9.5197 9.5197 9.8849 9.8849 10.0214 10.0214 10.0622 10.0622 10.3478 10.3478 k = 0.0795 0.0914 0.6628 ( 5096 PWs) bands (ev): -22.2611 -22.2611 -22.1771 -22.1771 -20.2682 -20.2682 -20.2465 -20.2465 -18.9964 -18.9964 -18.9689 -18.9689 -7.1205 -7.1205 -6.9251 -6.9251 -6.3893 -6.3893 -6.1585 -6.1585 -5.9809 -5.9809 -5.8279 -5.8279 -4.3405 -4.3405 -4.2030 -4.2030 -1.0046 -1.0046 -0.7229 -0.7229 -0.7100 -0.7100 -0.6100 -0.6100 -0.2521 -0.2521 -0.2158 -0.2158 -0.0968 -0.0968 -0.0664 -0.0664 -0.0613 -0.0613 0.0378 0.0378 9.5321 9.5321 9.8946 9.8946 10.0602 10.0602 10.0766 10.0766 10.3295 10.3295 k = 0.0909 0.1045 0.6628 ( 5096 PWs) bands (ev): -22.2594 -22.2594 -22.1788 -22.1788 -20.2677 -20.2677 -20.2469 -20.2469 -18.9958 -18.9958 -18.9695 -18.9695 -7.1136 -7.1136 -6.9268 -6.9268 -6.3834 -6.3834 -6.1577 -6.1577 -5.9831 -5.9831 -5.8409 -5.8409 -4.3378 -4.3378 -4.2061 -4.2061 -0.9985 -0.9985 -0.7211 -0.7211 -0.7169 -0.7169 -0.6124 -0.6124 -0.2464 -0.2464 -0.2099 -0.2099 -0.0973 -0.0973 -0.0675 -0.0675 -0.0617 -0.0617 0.0327 0.0327 9.5462 9.5462 9.9054 9.9054 10.0676 10.0676 10.1302 10.1302 10.3088 10.3088 k = 0.1023 0.1175 0.6628 ( 5088 PWs) bands (ev): -22.2574 -22.2574 -22.1808 -22.1808 -20.2672 -20.2672 -20.2474 -20.2474 -18.9951 -18.9951 -18.9701 -18.9701 -7.1060 -7.1060 -6.9288 -6.9288 -6.3767 -6.3767 -6.1569 -6.1569 -5.9856 -5.9856 -5.8550 -5.8550 -4.3348 -4.3348 -4.2094 -4.2094 -0.9917 -0.9917 -0.7261 -0.7261 -0.7174 -0.7174 -0.6150 -0.6150 -0.2403 -0.2403 -0.2035 -0.2035 -0.0981 -0.0981 -0.0685 -0.0685 -0.0620 -0.0620 0.0271 0.0271 9.5619 9.5619 9.9172 9.9172 10.0721 10.0721 10.1943 10.1943 10.2860 10.2860 k = 0.1136 0.1306 0.6628 ( 5082 PWs) bands (ev): -22.2553 -22.2553 -22.1830 -22.1830 -20.2667 -20.2667 -20.2480 -20.2480 -18.9944 -18.9944 -18.9707 -18.9707 -7.0979 -7.0979 -6.9311 -6.9311 -6.3691 -6.3691 -6.1563 -6.1563 -5.9883 -5.9883 -5.8701 -5.8701 -4.3315 -4.3315 -4.2131 -4.2131 -0.9844 -0.9844 -0.7347 -0.7347 -0.7147 -0.7147 -0.6178 -0.6178 -0.2338 -0.2338 -0.1965 -0.1965 -0.0990 -0.0990 -0.0696 -0.0696 -0.0625 -0.0625 0.0210 0.0210 9.5792 9.5792 9.9298 9.9298 10.0763 10.0763 10.2611 10.2611 10.2662 10.2662 k = 0.1250 0.1437 0.6628 ( 5080 PWs) bands (ev): -22.2531 -22.2531 -22.1854 -22.1854 -20.2661 -20.2661 -20.2486 -20.2486 -18.9936 -18.9936 -18.9715 -18.9715 -7.0893 -7.0893 -6.9337 -6.9337 -6.3607 -6.3607 -6.1560 -6.1560 -5.9911 -5.9911 -5.8859 -5.8859 -4.3279 -4.3279 -4.2171 -4.2171 -0.9764 -0.9764 -0.7440 -0.7440 -0.7117 -0.7117 -0.6210 -0.6210 -0.2269 -0.2269 -0.1891 -0.1891 -0.1003 -0.1003 -0.0706 -0.0706 -0.0629 -0.0629 0.0143 0.0143 9.5981 9.5981 9.9430 9.9430 10.0804 10.0804 10.2348 10.2348 10.3451 10.3451 k = 0.1364 0.1567 0.6628 ( 5088 PWs) bands (ev): -22.2506 -22.2506 -22.1879 -22.1879 -20.2654 -20.2654 -20.2492 -20.2492 -18.9928 -18.9928 -18.9722 -18.9722 -7.0803 -7.0803 -6.9367 -6.9367 -6.3513 -6.3513 -6.1560 -6.1560 -5.9940 -5.9940 -5.9021 -5.9021 -4.3240 -4.3240 -4.2214 -4.2214 -0.9679 -0.9679 -0.7537 -0.7537 -0.7083 -0.7083 -0.6243 -0.6243 -0.2197 -0.2197 -0.1813 -0.1813 -0.1019 -0.1019 -0.0716 -0.0716 -0.0635 -0.0635 0.0071 0.0071 9.6184 9.6184 9.9567 9.9567 10.0841 10.0841 10.2068 10.2068 10.4312 10.4312 k = 0.1477 0.1698 0.6628 ( 5088 PWs) bands (ev): -22.2480 -22.2480 -22.1906 -22.1906 -20.2648 -20.2648 -20.2499 -20.2499 -18.9919 -18.9919 -18.9731 -18.9731 -7.0711 -7.0711 -6.9401 -6.9401 -6.3411 -6.3411 -6.1566 -6.1566 -5.9969 -5.9969 -5.9184 -5.9184 -4.3198 -4.3198 -4.2260 -4.2260 -0.9590 -0.9590 -0.7638 -0.7638 -0.7048 -0.7048 -0.6279 -0.6279 -0.2122 -0.2122 -0.1732 -0.1732 -0.1039 -0.1039 -0.0724 -0.0724 -0.0640 -0.0640 -0.0005 -0.0005 9.6402 9.6402 9.9705 9.9705 10.0874 10.0874 10.1776 10.1776 10.5242 10.5242 k = 0.1591 0.1828 0.6628 ( 5082 PWs) bands (ev): -22.2452 -22.2452 -22.1935 -22.1935 -20.2640 -20.2640 -20.2506 -20.2506 -18.9909 -18.9909 -18.9740 -18.9740 -7.0616 -7.0616 -6.9438 -6.9438 -6.3300 -6.3300 -6.1580 -6.1580 -5.9998 -5.9998 -5.9344 -5.9344 -4.3154 -4.3154 -4.2308 -4.2308 -0.9496 -0.9496 -0.7743 -0.7743 -0.7010 -0.7010 -0.6316 -0.6316 -0.2046 -0.2046 -0.1648 -0.1648 -0.1063 -0.1063 -0.0732 -0.0732 -0.0645 -0.0645 -0.0085 -0.0085 9.6634 9.6634 9.9845 9.9845 10.0901 10.0901 10.1473 10.1473 10.6239 10.6239 k = 0.1705 0.1959 0.6628 ( 5074 PWs) bands (ev): -22.2423 -22.2423 -22.1964 -22.1964 -20.2633 -20.2633 -20.2514 -20.2514 -18.9900 -18.9900 -18.9749 -18.9749 -7.0520 -7.0520 -6.9480 -6.9480 -6.3181 -6.3181 -6.1604 -6.1604 -6.0027 -6.0027 -5.9497 -5.9497 -4.3108 -4.3108 -4.2358 -4.2358 -0.9398 -0.9398 -0.7850 -0.7850 -0.6971 -0.6971 -0.6355 -0.6355 -0.1969 -0.1969 -0.1562 -0.1562 -0.1090 -0.1090 -0.0738 -0.0738 -0.0650 -0.0650 -0.0168 -0.0168 9.6879 9.6879 9.9982 9.9982 10.0919 10.0919 10.1163 10.1163 10.7302 10.7302 k = 0.1818 0.2090 0.6628 ( 5066 PWs) bands (ev): -22.2393 -22.2393 -22.1995 -22.1995 -20.2625 -20.2625 -20.2522 -20.2522 -18.9889 -18.9889 -18.9758 -18.9758 -7.0425 -7.0425 -6.9525 -6.9525 -6.3054 -6.3054 -6.1641 -6.1641 -6.0054 -6.0054 -5.9639 -5.9639 -4.3059 -4.3059 -4.2409 -4.2409 -0.9296 -0.9296 -0.7960 -0.7960 -0.6930 -0.6930 -0.6396 -0.6396 -0.1892 -0.1892 -0.1477 -0.1477 -0.1120 -0.1120 -0.0743 -0.0743 -0.0656 -0.0656 -0.0253 -0.0253 9.7137 9.7137 10.0116 10.0116 10.0835 10.0835 10.0939 10.0939 10.8428 10.8428 k = 0.1932 0.2220 0.6628 ( 5066 PWs) bands (ev): -22.2361 -22.2361 -22.2027 -22.2027 -20.2617 -20.2617 -20.2530 -20.2530 -18.9879 -18.9879 -18.9768 -18.9768 -7.0331 -7.0331 -6.9576 -6.9576 -6.2921 -6.2921 -6.1694 -6.1694 -6.0078 -6.0078 -5.9766 -5.9766 -4.3009 -4.3009 -4.2462 -4.2462 -0.9192 -0.9192 -0.8071 -0.8071 -0.6887 -0.6887 -0.6438 -0.6438 -0.1815 -0.1815 -0.1396 -0.1396 -0.1149 -0.1149 -0.0748 -0.0748 -0.0660 -0.0660 -0.0340 -0.0340 9.7406 9.7406 10.0243 10.0243 10.0518 10.0518 10.0934 10.0934 10.9615 10.9615 k = 0.2045 0.2351 0.6628 ( 5066 PWs) bands (ev): -22.2329 -22.2329 -22.2060 -22.2060 -20.2608 -20.2608 -20.2538 -20.2538 -18.9868 -18.9868 -18.9779 -18.9779 -7.0238 -7.0238 -6.9631 -6.9631 -6.2782 -6.2782 -6.1764 -6.1764 -6.0098 -6.0098 -5.9875 -5.9875 -4.2957 -4.2957 -4.2517 -4.2517 -0.9085 -0.9085 -0.8184 -0.8184 -0.6844 -0.6844 -0.6482 -0.6482 -0.1740 -0.1740 -0.1334 -0.1334 -0.1164 -0.1164 -0.0755 -0.0755 -0.0664 -0.0664 -0.0426 -0.0426 9.7686 9.7686 10.0190 10.0190 10.0367 10.0367 10.0922 10.0922 11.0859 11.0859 k = 0.2159 0.2481 0.6628 ( 5050 PWs) bands (ev): -22.2296 -22.2296 -22.2093 -22.2093 -20.2600 -20.2600 -20.2547 -20.2547 -18.9857 -18.9857 -18.9789 -18.9789 -7.0148 -7.0148 -6.9691 -6.9691 -6.2639 -6.2639 -6.1852 -6.1852 -6.0113 -6.0113 -5.9963 -5.9963 -4.2903 -4.2903 -4.2572 -4.2572 -0.8976 -0.8976 -0.8297 -0.8297 -0.6800 -0.6800 -0.6526 -0.6526 -0.1667 -0.1667 -0.1322 -0.1322 -0.1132 -0.1132 -0.0766 -0.0766 -0.0667 -0.0667 -0.0508 -0.0508 9.7977 9.7977 9.9865 9.9865 10.0478 10.0478 10.0897 10.0897 11.2156 11.2156 k = 0.2273 0.2612 0.6628 ( 5046 PWs) bands (ev): -22.2263 -22.2263 -22.2127 -22.2127 -20.2591 -20.2591 -20.2555 -20.2555 -18.9846 -18.9846 -18.9800 -18.9800 -7.0062 -7.0062 -6.9756 -6.9756 -6.2494 -6.2494 -6.1958 -6.1958 -6.0120 -6.0120 -6.0029 -6.0029 -4.2849 -4.2849 -4.2627 -4.2627 -0.8865 -0.8865 -0.8411 -0.8411 -0.6755 -0.6755 -0.6571 -0.6571 -0.1596 -0.1596 -0.1355 -0.1355 -0.1060 -0.1060 -0.0789 -0.0789 -0.0668 -0.0668 -0.0578 -0.0578 9.8276 9.8276 9.9539 9.9539 10.0579 10.0579 10.0860 10.0860 11.3504 11.3504 k = 0.2386 0.2743 0.6628 ( 5050 PWs) bands (ev): -22.2229 -22.2229 -22.2161 -22.2161 -20.2583 -20.2583 -20.2564 -20.2564 -18.9835 -18.9835 -18.9811 -18.9811 -6.9979 -6.9979 -6.9825 -6.9825 -6.2350 -6.2350 -6.2078 -6.2078 -6.0119 -6.0119 -6.0076 -6.0076 -4.2794 -4.2794 -4.2684 -4.2684 -0.8753 -0.8753 -0.8525 -0.8525 -0.6709 -0.6709 -0.6616 -0.6616 -0.1528 -0.1528 -0.1405 -0.1405 -0.0979 -0.0979 -0.0832 -0.0832 -0.0665 -0.0665 -0.0628 -0.0628 9.8583 9.8583 9.9216 9.9216 10.0669 10.0669 10.0810 10.0810 11.4895 11.4895 k = 0.2500 0.2873 0.6628 ( 5052 PWs) bands (ev): -22.2195 -22.2195 -22.2195 -22.2195 -20.2574 -20.2574 -20.2572 -20.2572 -18.9824 -18.9824 -18.9822 -18.9822 -6.9900 -6.9900 -6.9900 -6.9900 -6.2210 -6.2210 -6.2210 -6.2210 -6.0105 -6.0105 -6.0105 -6.0105 -4.2740 -4.2740 -4.2738 -4.2738 -0.8640 -0.8640 -0.8639 -0.8639 -0.6664 -0.6664 -0.6662 -0.6662 -0.1465 -0.1465 -0.1463 -0.1463 -0.0900 -0.0900 -0.0898 -0.0898 -0.0655 -0.0655 -0.0653 -0.0653 9.8897 9.8897 9.8897 9.8897 10.0745 10.0745 10.0746 10.0746 11.6318 11.6318 Writing output data file RbHF2.save init_run : 0.26s CPU 0.40s WALL ( 1 calls) electrons : 180.29s CPU 183.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 180.29s CPU 183.16s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 306 calls) cegterg : 165.40s CPU 167.32s WALL ( 427 calls) Called by sum_band: Called by *egterg: h_psi : 96.38s CPU 98.16s WALL ( 6887 calls) s_psi : 8.92s CPU 8.83s WALL ( 6887 calls) g_psi : 0.35s CPU 0.27s WALL ( 6154 calls) cdiaghg : 52.13s CPU 52.79s WALL ( 6460 calls) cegterg:over : 7.16s CPU 6.97s WALL ( 6154 calls) cegterg:upda : 5.99s CPU 6.25s WALL ( 6154 calls) cegterg:last : 3.32s CPU 3.35s WALL ( 1039 calls) cdiaghg:chol : 2.84s CPU 3.01s WALL ( 6460 calls) cdiaghg:inve : 1.97s CPU 2.08s WALL ( 6460 calls) cdiaghg:para : 3.16s CPU 3.23s WALL ( 12920 calls) Called by h_psi: h_psi:vloc : 86.35s CPU 87.86s WALL ( 6887 calls) h_psi:vnl : 9.79s CPU 10.01s WALL ( 6887 calls) add_vuspsi : 4.57s CPU 4.83s WALL ( 6887 calls) General routines calbec : 5.17s CPU 5.16s WALL ( 6887 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 80.85s CPU 82.26s WALL ( 759224 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.25s WALL ( 612 calls) Parallel routines fft_scatter : 28.54s CPU 29.37s WALL ( 759247 calls) PWSCF : 3m18.50s CPU 3m37.94s WALL This run was terminated on: 18: 1:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=