Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:55:41 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: ./Na2HgO2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 105 67 19 2079 1072 169 Max 106 68 20 2081 1086 172 Sum 3801 2435 711 74873 38773 6131 bravais-lattice index = 14 lattice parameter (alat) = 13.3686 a.u. unit-cell volume = 522.7460 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.368631 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.883623 celldm(5)= -0.883623 celldm(6)= 0.767246 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.767246 0.641352 0.000000 ) a(3) = ( -0.883623 -0.320676 0.341140 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.196295 1.465672 ) b(2) = ( 0.000000 1.559205 1.465672 ) b(3) = ( 0.000000 0.000000 2.931344 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 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 1121 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 Hg 12.00 200.59000 Hg( 1.00) O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0000000 0.0000000 0.0222072), wk = 0.0025773 k( 3) = ( 0.0000000 0.0000000 0.0444143), wk = 0.0025773 k( 4) = ( 0.0000000 0.0000000 0.0666214), wk = 0.0025773 k( 5) = ( 0.0000000 0.0000000 0.0888286), wk = 0.0025773 k( 6) = ( 0.0000000 0.0000000 0.1110358), wk = 0.0025773 k( 7) = ( 0.0000000 0.0000000 0.1332429), wk = 0.0025773 k( 8) = ( 0.0000000 0.0000000 0.1554501), wk = 0.0025773 k( 9) = ( 0.0000000 0.0000000 0.1776572), wk = 0.0025773 k( 10) = ( 0.0000000 0.0000000 0.1998644), wk = 0.0025773 k( 11) = ( 0.0000000 0.0000000 0.2220715), wk = 0.0025773 k( 12) = ( 0.0000000 0.0000000 0.2442787), wk = 0.0025773 k( 13) = ( 0.0000000 0.0000000 0.2664858), wk = 0.0025773 k( 14) = ( 0.0000000 0.0000000 0.2886930), wk = 0.0025773 k( 15) = ( 0.0000000 0.0000000 0.3109001), wk = 0.0025773 k( 16) = ( 0.0000000 0.0000000 0.3331073), wk = 0.0025773 k( 17) = ( 0.0000000 0.0000000 0.3553144), wk = 0.0025773 k( 18) = ( 0.0000000 0.0000000 0.3775216), wk = 0.0025773 k( 19) = ( 0.0000000 0.0000000 0.3997287), wk = 0.0025773 k( 20) = ( 0.0000000 0.0000000 0.4219359), wk = 0.0025773 k( 21) = ( 0.0000000 0.0000000 0.4441430), wk = 0.0025773 k( 22) = ( 0.0000000 0.0000000 0.4663502), wk = 0.0025773 k( 23) = ( 0.0000000 0.0000000 0.4885574), wk = 0.0025773 k( 24) = ( 0.0000000 0.0000000 0.5107645), wk = 0.0025773 k( 25) = ( 0.0000000 0.0000000 0.5329716), wk = 0.0025773 k( 26) = ( 0.0000000 0.0000000 0.5551788), wk = 0.0025773 k( 27) = ( 0.0000000 0.0000000 0.5773860), wk = 0.0025773 k( 28) = ( 0.0000000 0.0000000 0.5995931), wk = 0.0025773 k( 29) = ( 0.0000000 0.0000000 0.6218003), wk = 0.0025773 k( 30) = ( 0.0000000 0.0000000 0.6440074), wk = 0.0025773 k( 31) = ( 0.0000000 0.0000000 0.6662146), wk = 0.0025773 k( 32) = ( 0.0000000 0.0000000 0.6884217), wk = 0.0025773 k( 33) = ( 0.0000000 0.0000000 0.7106289), wk = 0.0025773 k( 34) = ( 0.0000000 0.0000000 0.7328360), wk = 0.0025773 k( 35) = ( 0.0000000 0.0000000 0.7550432), wk = 0.0025773 k( 36) = ( 0.0000000 0.0000000 0.7772503), wk = 0.0025773 k( 37) = ( 0.0000000 0.0000000 0.7994575), wk = 0.0025773 k( 38) = ( 0.0000000 0.0000000 0.8216646), wk = 0.0025773 k( 39) = ( 0.0000000 0.0000000 0.8438718), wk = 0.0025773 k( 40) = ( 0.0000000 0.0000000 0.8660789), wk = 0.0025773 k( 41) = ( 0.0000000 0.0000000 0.8882861), wk = 0.0025773 k( 42) = ( 0.0000000 0.0000000 0.9104932), wk = 0.0025773 k( 43) = ( 0.0000000 0.0000000 0.9327004), wk = 0.0025773 k( 44) = ( 0.0000000 0.0000000 0.9549076), wk = 0.0025773 k( 45) = ( 0.0000000 0.0000000 0.9771147), wk = 0.0025773 k( 46) = ( 0.0000000 0.0000000 0.9993218), wk = 0.0025773 k( 47) = ( 0.0000000 0.0000000 1.0215290), wk = 0.0025773 k( 48) = ( 0.0000000 0.0000000 1.0437362), wk = 0.0025773 k( 49) = ( 0.0000000 0.0000000 1.0659433), wk = 0.0025773 k( 50) = ( 0.0000000 0.0000000 1.0881505), wk = 0.0025773 k( 51) = ( 0.0000000 0.0000000 1.1103576), wk = 0.0025773 k( 52) = ( 0.0000000 0.0000000 1.1325648), wk = 0.0025773 k( 53) = ( 0.0000000 0.0000000 1.1547719), wk = 0.0025773 k( 54) = ( 0.0000000 0.0000000 1.1769791), wk = 0.0025773 k( 55) = ( 0.0000000 0.0000000 1.1991862), wk = 0.0025773 k( 56) = ( 0.0000000 0.0000000 1.2213934), wk = 0.0025773 k( 57) = ( 0.0000000 0.0000000 1.2436005), wk = 0.0025773 k( 58) = ( 0.0000000 0.0000000 1.2658077), wk = 0.0025773 k( 59) = ( 0.0000000 0.0000000 1.2880148), wk = 0.0025773 k( 60) = ( 0.0000000 0.0000000 1.3102220), wk = 0.0025773 k( 61) = ( 0.0000000 0.0000000 1.3324291), wk = 0.0025773 k( 62) = ( 0.0000000 0.0000000 1.3546363), wk = 0.0025773 k( 63) = ( 0.0000000 0.0000000 1.3768434), wk = 0.0025773 k( 64) = ( 0.0000000 0.0000000 1.3990506), wk = 0.0025773 k( 65) = ( 0.0000000 0.0000000 1.4212577), wk = 0.0025773 k( 66) = ( 0.0000000 0.0000000 1.4434649), wk = 0.0025773 k( 67) = ( 0.0000000 0.0000000 1.4656720), wk = 0.0025773 k( 68) = ( 0.0000000 0.0000000 1.4656720), wk = 0.0025773 k( 69) = ( -0.0065852 0.0181455 1.4656720), wk = 0.0025773 k( 70) = ( -0.0131704 0.0362911 1.4656720), wk = 0.0025773 k( 71) = ( -0.0197556 0.0544366 1.4656720), wk = 0.0025773 k( 72) = ( -0.0263408 0.0725821 1.4656720), wk = 0.0025773 k( 73) = ( -0.0329260 0.0907276 1.4656720), wk = 0.0025773 k( 74) = ( -0.0329260 0.0907276 1.4656720), wk = 0.0025773 k( 75) = ( -0.0383571 0.1056930 1.4497516), wk = 0.0025773 k( 76) = ( -0.0437882 0.1206584 1.4338312), wk = 0.0025773 k( 77) = ( -0.0492193 0.1356238 1.4179108), wk = 0.0025773 k( 78) = ( -0.0546504 0.1505892 1.4019904), wk = 0.0025773 k( 79) = ( -0.0600815 0.1655545 1.3860700), wk = 0.0025773 k( 80) = ( -0.0655126 0.1805199 1.3701496), wk = 0.0025773 k( 81) = ( -0.0709437 0.1954853 1.3542292), wk = 0.0025773 k( 82) = ( -0.0763748 0.2104506 1.3383088), wk = 0.0025773 k( 83) = ( -0.0818059 0.2254160 1.3223884), wk = 0.0025773 k( 84) = ( -0.0872369 0.2403814 1.3064680), wk = 0.0025773 k( 85) = ( -0.0926680 0.2553467 1.2905476), wk = 0.0025773 k( 86) = ( -0.0980991 0.2703121 1.2746272), wk = 0.0025773 k( 87) = ( -0.1035302 0.2852775 1.2587068), wk = 0.0025773 k( 88) = ( -0.1089613 0.3002429 1.2427864), wk = 0.0025773 k( 89) = ( -0.1143924 0.3152083 1.2268660), wk = 0.0025773 k( 90) = ( -0.1198235 0.3301736 1.2109456), wk = 0.0025773 k( 91) = ( -0.1252546 0.3451390 1.1950252), wk = 0.0025773 k( 92) = ( -0.1306857 0.3601044 1.1791048), wk = 0.0025773 k( 93) = ( -0.1361168 0.3750698 1.1631844), wk = 0.0025773 k( 94) = ( -0.1415479 0.3900351 1.1472640), wk = 0.0025773 k( 95) = ( -0.1469790 0.4050005 1.1313436), wk = 0.0025773 k( 96) = ( -0.1524101 0.4199659 1.1154232), wk = 0.0025773 k( 97) = ( -0.1578412 0.4349313 1.0995028), wk = 0.0025773 k( 98) = ( -0.1632723 0.4498966 1.0835824), wk = 0.0025773 k( 99) = ( -0.1687033 0.4648620 1.0676620), wk = 0.0025773 k( 100) = ( -0.1741344 0.4798274 1.0517416), wk = 0.0025773 k( 101) = ( -0.1795655 0.4947927 1.0358212), wk = 0.0025773 k( 102) = ( -0.1849966 0.5097581 1.0199008), wk = 0.0025773 k( 103) = ( -0.1904277 0.5247235 1.0039804), wk = 0.0025773 k( 104) = ( -0.1958588 0.5396889 0.9880600), wk = 0.0025773 k( 105) = ( -0.2012899 0.5546542 0.9721396), wk = 0.0025773 k( 106) = ( -0.2067210 0.5696196 0.9562192), wk = 0.0025773 k( 107) = ( -0.2121521 0.5845850 0.9402988), wk = 0.0025773 k( 108) = ( -0.2175832 0.5995504 0.9243784), wk = 0.0025773 k( 109) = ( -0.2230143 0.6145157 0.9084580), wk = 0.0025773 k( 110) = ( -0.2284454 0.6294811 0.8925376), wk = 0.0025773 k( 111) = ( -0.2338765 0.6444465 0.8766172), wk = 0.0025773 k( 112) = ( -0.2393076 0.6594119 0.8606968), wk = 0.0025773 k( 113) = ( -0.2447386 0.6743772 0.8447764), wk = 0.0025773 k( 114) = ( -0.2501697 0.6893426 0.8288560), wk = 0.0025773 k( 115) = ( -0.2556008 0.7043080 0.8129356), wk = 0.0025773 k( 116) = ( -0.2610319 0.7192734 0.7970152), wk = 0.0025773 k( 117) = ( -0.2664630 0.7342387 0.7810948), wk = 0.0025773 k( 118) = ( -0.2664630 0.7342387 0.7810948), wk = 0.0025773 k( 119) = ( -0.2611337 0.7195539 0.7654729), wk = 0.0025773 k( 120) = ( -0.2558045 0.7048692 0.7498510), wk = 0.0025773 k( 121) = ( -0.2504752 0.6901844 0.7342291), wk = 0.0025773 k( 122) = ( -0.2451460 0.6754996 0.7186072), wk = 0.0025773 k( 123) = ( -0.2398167 0.6608149 0.7029853), wk = 0.0025773 k( 124) = ( -0.2344874 0.6461301 0.6873634), wk = 0.0025773 k( 125) = ( -0.2291582 0.6314453 0.6717415), wk = 0.0025773 k( 126) = ( -0.2238289 0.6167605 0.6561196), wk = 0.0025773 k( 127) = ( -0.2184997 0.6020758 0.6404977), wk = 0.0025773 k( 128) = ( -0.2131704 0.5873910 0.6248758), wk = 0.0025773 k( 129) = ( -0.2078412 0.5727062 0.6092539), wk = 0.0025773 k( 130) = ( -0.2025119 0.5580214 0.5936320), wk = 0.0025773 k( 131) = ( -0.1971826 0.5433367 0.5780101), wk = 0.0025773 k( 132) = ( -0.1918534 0.5286519 0.5623882), wk = 0.0025773 k( 133) = ( -0.1865241 0.5139671 0.5467663), wk = 0.0025773 k( 134) = ( -0.1811948 0.4992823 0.5311445), wk = 0.0025773 k( 135) = ( -0.1758656 0.4845976 0.5155226), wk = 0.0025773 k( 136) = ( -0.1705363 0.4699128 0.4999007), wk = 0.0025773 k( 137) = ( -0.1652071 0.4552280 0.4842788), wk = 0.0025773 k( 138) = ( -0.1598778 0.4405432 0.4686569), wk = 0.0025773 k( 139) = ( -0.1545486 0.4258585 0.4530350), wk = 0.0025773 k( 140) = ( -0.1492193 0.4111737 0.4374131), wk = 0.0025773 k( 141) = ( -0.1438900 0.3964889 0.4217912), wk = 0.0025773 k( 142) = ( -0.1385608 0.3818041 0.4061693), wk = 0.0025773 k( 143) = ( -0.1332315 0.3671194 0.3905474), wk = 0.0025773 k( 144) = ( -0.1279022 0.3524346 0.3749255), wk = 0.0025773 k( 145) = ( -0.1225730 0.3377498 0.3593036), wk = 0.0025773 k( 146) = ( -0.1172437 0.3230651 0.3436817), wk = 0.0025773 k( 147) = ( -0.1119145 0.3083803 0.3280598), wk = 0.0025773 k( 148) = ( -0.1065852 0.2936955 0.3124379), wk = 0.0025773 k( 149) = ( -0.1012559 0.2790107 0.2968160), wk = 0.0025773 k( 150) = ( -0.0959267 0.2643259 0.2811941), wk = 0.0025773 k( 151) = ( -0.0905974 0.2496412 0.2655722), wk = 0.0025773 k( 152) = ( -0.0852682 0.2349564 0.2499503), wk = 0.0025773 k( 153) = ( -0.0799389 0.2202716 0.2343284), wk = 0.0025773 k( 154) = ( -0.0746096 0.2055868 0.2187065), wk = 0.0025773 k( 155) = ( -0.0692804 0.1909021 0.2030846), wk = 0.0025773 k( 156) = ( -0.0639511 0.1762173 0.1874627), wk = 0.0025773 k( 157) = ( -0.0586219 0.1615325 0.1718408), wk = 0.0025773 k( 158) = ( -0.0532926 0.1468477 0.1562189), wk = 0.0025773 k( 159) = ( -0.0479633 0.1321630 0.1405971), wk = 0.0025773 k( 160) = ( -0.0426341 0.1174782 0.1249752), wk = 0.0025773 k( 161) = ( -0.0373048 0.1027934 0.1093533), wk = 0.0025773 k( 162) = ( -0.0319756 0.0881086 0.0937314), wk = 0.0025773 k( 163) = ( -0.0266463 0.0734239 0.0781095), wk = 0.0025773 k( 164) = ( -0.0213170 0.0587391 0.0624876), wk = 0.0025773 k( 165) = ( -0.0159878 0.0440543 0.0468657), wk = 0.0025773 k( 166) = ( -0.0106585 0.0293695 0.0312438), wk = 0.0025773 k( 167) = ( -0.0053293 0.0146848 0.0156219), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 170) = ( 0.0208333 0.0075606 -0.0000000), wk = 0.0025773 k( 171) = ( 0.0416667 0.0151213 -0.0000000), wk = 0.0025773 k( 172) = ( 0.0625000 0.0226819 -0.0000000), wk = 0.0025773 k( 173) = ( 0.0833333 0.0302425 -0.0000000), wk = 0.0025773 k( 174) = ( 0.1041667 0.0378032 -0.0000000), wk = 0.0025773 k( 175) = ( 0.1250000 0.0453638 -0.0000000), wk = 0.0025773 k( 176) = ( 0.1458333 0.0529245 -0.0000000), wk = 0.0025773 k( 177) = ( 0.1666667 0.0604851 -0.0000000), wk = 0.0025773 k( 178) = ( 0.1875000 0.0680457 -0.0000000), wk = 0.0025773 k( 179) = ( 0.2083333 0.0756064 -0.0000000), wk = 0.0025773 k( 180) = ( 0.2291667 0.0831670 -0.0000000), wk = 0.0025773 k( 181) = ( 0.2500000 0.0907276 -0.0000000), wk = 0.0025773 k( 182) = ( 0.2708333 0.0982883 -0.0000000), wk = 0.0025773 k( 183) = ( 0.2916667 0.1058489 -0.0000000), wk = 0.0025773 k( 184) = ( 0.3125000 0.1134096 -0.0000000), wk = 0.0025773 k( 185) = ( 0.3333333 0.1209702 -0.0000000), wk = 0.0025773 k( 186) = ( 0.3541667 0.1285308 -0.0000000), wk = 0.0025773 k( 187) = ( 0.3750000 0.1360915 -0.0000000), wk = 0.0025773 k( 188) = ( 0.3958333 0.1436521 -0.0000000), wk = 0.0025773 k( 189) = ( 0.4166667 0.1512127 -0.0000000), wk = 0.0025773 k( 190) = ( 0.4375000 0.1587734 -0.0000000), wk = 0.0025773 k( 191) = ( 0.4583333 0.1663340 -0.0000000), wk = 0.0025773 k( 192) = ( 0.4791667 0.1738947 -0.0000000), wk = 0.0025773 k( 193) = ( 0.5000000 0.1814553 -0.0000000), wk = 0.0025773 k( 194) = ( 0.5000000 0.1814553 -0.0000000), wk = 0.0025773 k( 195) = ( 0.4945689 0.1964207 0.0159204), wk = 0.0025773 k( 196) = ( 0.4891378 0.2113861 0.0318408), wk = 0.0025773 k( 197) = ( 0.4837067 0.2263514 0.0477612), wk = 0.0025773 k( 198) = ( 0.4782756 0.2413168 0.0636816), wk = 0.0025773 k( 199) = ( 0.4728445 0.2562822 0.0796020), wk = 0.0025773 k( 200) = ( 0.4674134 0.2712476 0.0955224), wk = 0.0025773 k( 201) = ( 0.4619823 0.2862129 0.1114428), wk = 0.0025773 k( 202) = ( 0.4565513 0.3011783 0.1273632), wk = 0.0025773 k( 203) = ( 0.4511202 0.3161436 0.1432836), wk = 0.0025773 k( 204) = ( 0.4456891 0.3311090 0.1592040), wk = 0.0025773 k( 205) = ( 0.4402580 0.3460744 0.1751244), wk = 0.0025773 k( 206) = ( 0.4348269 0.3610398 0.1910448), wk = 0.0025773 k( 207) = ( 0.4293958 0.3760052 0.2069652), wk = 0.0025773 k( 208) = ( 0.4239647 0.3909705 0.2228856), wk = 0.0025773 k( 209) = ( 0.4185336 0.4059359 0.2388060), wk = 0.0025773 k( 210) = ( 0.4131025 0.4209013 0.2547264), wk = 0.0025773 k( 211) = ( 0.4076714 0.4358667 0.2706468), wk = 0.0025773 k( 212) = ( 0.4022403 0.4508320 0.2865672), wk = 0.0025773 k( 213) = ( 0.3968092 0.4657974 0.3024876), wk = 0.0025773 k( 214) = ( 0.3913781 0.4807628 0.3184080), wk = 0.0025773 k( 215) = ( 0.3859471 0.4957282 0.3343284), wk = 0.0025773 k( 216) = ( 0.3805160 0.5106935 0.3502488), wk = 0.0025773 k( 217) = ( 0.3750849 0.5256589 0.3661692), wk = 0.0025773 k( 218) = ( 0.3696538 0.5406243 0.3820897), wk = 0.0025773 k( 219) = ( 0.3642227 0.5555896 0.3980100), wk = 0.0025773 k( 220) = ( 0.3587916 0.5705550 0.4139304), wk = 0.0025773 k( 221) = ( 0.3533605 0.5855204 0.4298508), wk = 0.0025773 k( 222) = ( 0.3479294 0.6004858 0.4457713), wk = 0.0025773 k( 223) = ( 0.3424983 0.6154511 0.4616916), wk = 0.0025773 k( 224) = ( 0.3370672 0.6304165 0.4776120), wk = 0.0025773 k( 225) = ( 0.3316361 0.6453819 0.4935324), wk = 0.0025773 k( 226) = ( 0.3262050 0.6603473 0.5094529), wk = 0.0025773 k( 227) = ( 0.3207739 0.6753126 0.5253733), wk = 0.0025773 k( 228) = ( 0.3153429 0.6902780 0.5412936), wk = 0.0025773 k( 229) = ( 0.3099117 0.7052434 0.5572141), wk = 0.0025773 k( 230) = ( 0.3044807 0.7202088 0.5731345), wk = 0.0025773 k( 231) = ( 0.2990496 0.7351741 0.5890549), wk = 0.0025773 k( 232) = ( 0.2936185 0.7501395 0.6049752), wk = 0.0025773 k( 233) = ( 0.2881874 0.7651049 0.6208957), wk = 0.0025773 k( 234) = ( 0.2827563 0.7800703 0.6368161), wk = 0.0025773 k( 235) = ( 0.2773252 0.7950356 0.6527365), wk = 0.0025773 k( 236) = ( 0.2718941 0.8100010 0.6686569), wk = 0.0025773 k( 237) = ( 0.2664630 0.8249664 0.6845773), wk = 0.0025773 k( 238) = ( 0.2664630 0.8249664 0.6845773), wk = 0.0025773 k( 239) = ( 0.2459659 0.8214768 0.6882895), wk = 0.0025773 k( 240) = ( 0.2254687 0.8179873 0.6920017), wk = 0.0025773 k( 241) = ( 0.2049716 0.8144978 0.6957139), wk = 0.0025773 k( 242) = ( 0.1844744 0.8110083 0.6994261), wk = 0.0025773 k( 243) = ( 0.1639772 0.8075188 0.7031383), wk = 0.0025773 k( 244) = ( 0.1434801 0.8040292 0.7068505), wk = 0.0025773 k( 245) = ( 0.1229829 0.8005397 0.7105627), wk = 0.0025773 k( 246) = ( 0.1024858 0.7970502 0.7142750), wk = 0.0025773 k( 247) = ( 0.0819886 0.7935606 0.7179872), wk = 0.0025773 k( 248) = ( 0.0614915 0.7900711 0.7216994), wk = 0.0025773 k( 249) = ( 0.0409943 0.7865816 0.7254116), wk = 0.0025773 k( 250) = ( 0.0204971 0.7830921 0.7291238), wk = 0.0025773 k( 251) = ( 0.0000000 0.7796026 0.7328360), wk = 0.0025773 k( 252) = ( 0.0000000 0.7796026 0.7328360), wk = 0.0025773 k( 253) = ( 0.0053191 0.7649456 0.7484283), wk = 0.0025773 k( 254) = ( 0.0106383 0.7502887 0.7640205), wk = 0.0025773 k( 255) = ( 0.0159575 0.7356318 0.7796128), wk = 0.0025773 k( 256) = ( 0.0212766 0.7209749 0.7952051), wk = 0.0025773 k( 257) = ( 0.0265957 0.7063180 0.8107973), wk = 0.0025773 k( 258) = ( 0.0319149 0.6916611 0.8263895), wk = 0.0025773 k( 259) = ( 0.0372340 0.6770042 0.8419818), wk = 0.0025773 k( 260) = ( 0.0425532 0.6623473 0.8575741), wk = 0.0025773 k( 261) = ( 0.0478723 0.6476903 0.8731663), wk = 0.0025773 k( 262) = ( 0.0531915 0.6330334 0.8887586), wk = 0.0025773 k( 263) = ( 0.0585106 0.6183765 0.9043508), wk = 0.0025773 k( 264) = ( 0.0638298 0.6037196 0.9199431), wk = 0.0025773 k( 265) = ( 0.0691489 0.5890627 0.9355354), wk = 0.0025773 k( 266) = ( 0.0744681 0.5744058 0.9511276), wk = 0.0025773 k( 267) = ( 0.0797872 0.5597489 0.9667198), wk = 0.0025773 k( 268) = ( 0.0851064 0.5450920 0.9823121), wk = 0.0025773 k( 269) = ( 0.0904255 0.5304350 0.9979044), wk = 0.0025773 k( 270) = ( 0.0957447 0.5157781 1.0134966), wk = 0.0025773 k( 271) = ( 0.1010638 0.5011212 1.0290889), wk = 0.0025773 k( 272) = ( 0.1063830 0.4864643 1.0446811), wk = 0.0025773 k( 273) = ( 0.1117021 0.4718074 1.0602734), wk = 0.0025773 k( 274) = ( 0.1170213 0.4571505 1.0758657), wk = 0.0025773 k( 275) = ( 0.1223404 0.4424935 1.0914579), wk = 0.0025773 k( 276) = ( 0.1276596 0.4278367 1.1070501), wk = 0.0025773 k( 277) = ( 0.1329787 0.4131797 1.1226424), wk = 0.0025773 k( 278) = ( 0.1382979 0.3985228 1.1382347), wk = 0.0025773 k( 279) = ( 0.1436170 0.3838659 1.1538269), wk = 0.0025773 k( 280) = ( 0.1489362 0.3692090 1.1694192), wk = 0.0025773 k( 281) = ( 0.1542553 0.3545521 1.1850114), wk = 0.0025773 k( 282) = ( 0.1595745 0.3398952 1.2006037), wk = 0.0025773 k( 283) = ( 0.1648936 0.3252382 1.2161960), wk = 0.0025773 k( 284) = ( 0.1702128 0.3105813 1.2317882), wk = 0.0025773 k( 285) = ( 0.1755319 0.2959244 1.2473804), wk = 0.0025773 k( 286) = ( 0.1808511 0.2812675 1.2629727), wk = 0.0025773 k( 287) = ( 0.1861702 0.2666106 1.2785650), wk = 0.0025773 k( 288) = ( 0.1914894 0.2519537 1.2941572), wk = 0.0025773 k( 289) = ( 0.1968085 0.2372968 1.3097495), wk = 0.0025773 k( 290) = ( 0.2021277 0.2226399 1.3253417), wk = 0.0025773 k( 291) = ( 0.2074468 0.2079829 1.3409340), wk = 0.0025773 k( 292) = ( 0.2127660 0.1933260 1.3565263), wk = 0.0025773 k( 293) = ( 0.2180851 0.1786691 1.3721185), wk = 0.0025773 k( 294) = ( 0.2234043 0.1640122 1.3877108), wk = 0.0025773 k( 295) = ( 0.2287234 0.1493553 1.4033030), wk = 0.0025773 k( 296) = ( 0.2340425 0.1346984 1.4188953), wk = 0.0025773 k( 297) = ( 0.2393617 0.1200415 1.4344875), wk = 0.0025773 k( 298) = ( 0.2446809 0.1053846 1.4500798), wk = 0.0025773 k( 299) = ( 0.2500000 0.0907276 1.4656720), wk = 0.0025773 k( 300) = ( 0.2500000 0.0907276 1.4656720), wk = 0.0025773 k( 301) = ( 0.2692308 0.0977067 1.4582476), wk = 0.0025773 k( 302) = ( 0.2884615 0.1046857 1.4508232), wk = 0.0025773 k( 303) = ( 0.3076923 0.1116648 1.4433988), wk = 0.0025773 k( 304) = ( 0.3269231 0.1186438 1.4359744), wk = 0.0025773 k( 305) = ( 0.3461538 0.1256229 1.4285499), wk = 0.0025773 k( 306) = ( 0.3653846 0.1326019 1.4211255), wk = 0.0025773 k( 307) = ( 0.3846154 0.1395810 1.4137011), wk = 0.0025773 k( 308) = ( 0.4038462 0.1465600 1.4062766), wk = 0.0025773 k( 309) = ( 0.4230769 0.1535391 1.3988522), wk = 0.0025773 k( 310) = ( 0.4423077 0.1605181 1.3914278), wk = 0.0025773 k( 311) = ( 0.4615385 0.1674972 1.3840034), wk = 0.0025773 k( 312) = ( 0.4807692 0.1744762 1.3765790), wk = 0.0025773 k( 313) = ( 0.5000000 0.1814553 1.3691545), wk = 0.0025773 k( 314) = ( 0.5000000 0.1814553 1.3691545), wk = 0.0025773 k( 315) = ( 0.5000000 0.1814553 1.3467094), wk = 0.0025773 k( 316) = ( 0.5000000 0.1814553 1.3242642), wk = 0.0025773 k( 317) = ( 0.5000000 0.1814553 1.3018191), wk = 0.0025773 k( 318) = ( 0.5000000 0.1814553 1.2793739), wk = 0.0025773 k( 319) = ( 0.5000000 0.1814553 1.2569287), wk = 0.0025773 k( 320) = ( 0.5000000 0.1814553 1.2344836), wk = 0.0025773 k( 321) = ( 0.5000000 0.1814553 1.2120384), wk = 0.0025773 k( 322) = ( 0.5000000 0.1814553 1.1895933), wk = 0.0025773 k( 323) = ( 0.5000000 0.1814553 1.1671481), wk = 0.0025773 k( 324) = ( 0.5000000 0.1814553 1.1447030), wk = 0.0025773 k( 325) = ( 0.5000000 0.1814553 1.1222578), wk = 0.0025773 k( 326) = ( 0.5000000 0.1814553 1.0998127), wk = 0.0025773 k( 327) = ( 0.5000000 0.1814553 1.0773675), wk = 0.0025773 k( 328) = ( 0.5000000 0.1814553 1.0549223), wk = 0.0025773 k( 329) = ( 0.5000000 0.1814553 1.0324772), wk = 0.0025773 k( 330) = ( 0.5000000 0.1814553 1.0100320), wk = 0.0025773 k( 331) = ( 0.5000000 0.1814553 0.9875869), wk = 0.0025773 k( 332) = ( 0.5000000 0.1814553 0.9651417), wk = 0.0025773 k( 333) = ( 0.5000000 0.1814553 0.9426966), wk = 0.0025773 k( 334) = ( 0.5000000 0.1814553 0.9202514), wk = 0.0025773 k( 335) = ( 0.5000000 0.1814553 0.8978063), wk = 0.0025773 k( 336) = ( 0.5000000 0.1814553 0.8753611), wk = 0.0025773 k( 337) = ( 0.5000000 0.1814553 0.8529160), wk = 0.0025773 k( 338) = ( 0.5000000 0.1814553 0.8304708), wk = 0.0025773 k( 339) = ( 0.5000000 0.1814553 0.8080256), wk = 0.0025773 k( 340) = ( 0.5000000 0.1814553 0.7855805), wk = 0.0025773 k( 341) = ( 0.5000000 0.1814553 0.7631353), wk = 0.0025773 k( 342) = ( 0.5000000 0.1814553 0.7406901), wk = 0.0025773 k( 343) = ( 0.5000000 0.1814553 0.7182450), wk = 0.0025773 k( 344) = ( 0.5000000 0.1814553 0.6957998), wk = 0.0025773 k( 345) = ( 0.5000000 0.1814553 0.6733547), wk = 0.0025773 k( 346) = ( 0.5000000 0.1814553 0.6509095), wk = 0.0025773 k( 347) = ( 0.5000000 0.1814553 0.6284644), wk = 0.0025773 k( 348) = ( 0.5000000 0.1814553 0.6060192), wk = 0.0025773 k( 349) = ( 0.5000000 0.1814553 0.5835741), wk = 0.0025773 k( 350) = ( 0.5000000 0.1814553 0.5611289), wk = 0.0025773 k( 351) = ( 0.5000000 0.1814553 0.5386838), wk = 0.0025773 k( 352) = ( 0.5000000 0.1814553 0.5162386), wk = 0.0025773 k( 353) = ( 0.5000000 0.1814553 0.4937934), wk = 0.0025773 k( 354) = ( 0.5000000 0.1814553 0.4713483), wk = 0.0025773 k( 355) = ( 0.5000000 0.1814553 0.4489031), wk = 0.0025773 k( 356) = ( 0.5000000 0.1814553 0.4264580), wk = 0.0025773 k( 357) = ( 0.5000000 0.1814553 0.4040128), wk = 0.0025773 k( 358) = ( 0.5000000 0.1814553 0.3815677), wk = 0.0025773 k( 359) = ( 0.5000000 0.1814553 0.3591225), wk = 0.0025773 k( 360) = ( 0.5000000 0.1814553 0.3366774), wk = 0.0025773 k( 361) = ( 0.5000000 0.1814553 0.3142322), wk = 0.0025773 k( 362) = ( 0.5000000 0.1814553 0.2917870), wk = 0.0025773 k( 363) = ( 0.5000000 0.1814553 0.2693419), wk = 0.0025773 k( 364) = ( 0.5000000 0.1814553 0.2468967), wk = 0.0025773 k( 365) = ( 0.5000000 0.1814553 0.2244516), wk = 0.0025773 k( 366) = ( 0.5000000 0.1814553 0.2020064), wk = 0.0025773 k( 367) = ( 0.5000000 0.1814553 0.1795612), wk = 0.0025773 k( 368) = ( 0.5000000 0.1814553 0.1571161), wk = 0.0025773 k( 369) = ( 0.5000000 0.1814553 0.1346709), wk = 0.0025773 k( 370) = ( 0.5000000 0.1814553 0.1122258), wk = 0.0025773 k( 371) = ( 0.5000000 0.1814553 0.0897806), wk = 0.0025773 k( 372) = ( 0.5000000 0.1814553 0.0673355), wk = 0.0025773 k( 373) = ( 0.5000000 0.1814553 0.0448903), wk = 0.0025773 k( 374) = ( 0.5000000 0.1814553 0.0224452), wk = 0.0025773 k( 375) = ( 0.5000000 0.1814553 -0.0000000), wk = 0.0025773 k( 376) = ( 0.0000000 0.0000000 1.4656720), wk = 0.0025773 k( 377) = ( 0.0208333 0.0075606 1.4656720), wk = 0.0025773 k( 378) = ( 0.0416667 0.0151213 1.4656720), wk = 0.0025773 k( 379) = ( 0.0625000 0.0226819 1.4656720), wk = 0.0025773 k( 380) = ( 0.0833333 0.0302425 1.4656720), wk = 0.0025773 k( 381) = ( 0.1041667 0.0378032 1.4656720), wk = 0.0025773 k( 382) = ( 0.1250000 0.0453638 1.4656720), wk = 0.0025773 k( 383) = ( 0.1458333 0.0529245 1.4656720), wk = 0.0025773 k( 384) = ( 0.1666667 0.0604851 1.4656720), wk = 0.0025773 k( 385) = ( 0.1875000 0.0680457 1.4656720), wk = 0.0025773 k( 386) = ( 0.2083333 0.0756064 1.4656720), wk = 0.0025773 k( 387) = ( 0.2291667 0.0831670 1.4656720), wk = 0.0025773 k( 388) = ( 0.2500000 0.0907276 1.4656720), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0000000 0.0000000 0.0075758), wk = 0.0025773 k( 3) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0025773 k( 4) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0025773 k( 5) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0025773 k( 6) = ( 0.0000000 0.0000000 0.0378788), wk = 0.0025773 k( 7) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0025773 k( 8) = ( 0.0000000 0.0000000 0.0530303), wk = 0.0025773 k( 9) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0025773 k( 10) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0025773 k( 11) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0025773 k( 12) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0025773 k( 13) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0025773 k( 14) = ( 0.0000000 0.0000000 0.0984848), wk = 0.0025773 k( 15) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0025773 k( 16) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0025773 k( 17) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0025773 k( 18) = ( 0.0000000 0.0000000 0.1287879), wk = 0.0025773 k( 19) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0025773 k( 20) = ( 0.0000000 0.0000000 0.1439394), wk = 0.0025773 k( 21) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0025773 k( 22) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0025773 k( 23) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025773 k( 24) = ( 0.0000000 0.0000000 0.1742424), wk = 0.0025773 k( 25) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0025773 k( 26) = ( 0.0000000 0.0000000 0.1893939), wk = 0.0025773 k( 27) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0025773 k( 28) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0025773 k( 29) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0025773 k( 30) = ( 0.0000000 0.0000000 0.2196970), wk = 0.0025773 k( 31) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0025773 k( 32) = ( 0.0000000 0.0000000 0.2348485), wk = 0.0025773 k( 33) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0025773 k( 34) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025773 k( 35) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0025773 k( 36) = ( 0.0000000 0.0000000 0.2651515), wk = 0.0025773 k( 37) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0025773 k( 38) = ( 0.0000000 0.0000000 0.2803030), wk = 0.0025773 k( 39) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0025773 k( 40) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0025773 k( 41) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0025773 k( 42) = ( 0.0000000 0.0000000 0.3106061), wk = 0.0025773 k( 43) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0025773 k( 44) = ( 0.0000000 0.0000000 0.3257576), wk = 0.0025773 k( 45) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025773 k( 46) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0025773 k( 47) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0025773 k( 48) = ( 0.0000000 0.0000000 0.3560606), wk = 0.0025773 k( 49) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0025773 k( 50) = ( 0.0000000 0.0000000 0.3712121), wk = 0.0025773 k( 51) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0025773 k( 52) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0025773 k( 53) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0025773 k( 54) = ( 0.0000000 0.0000000 0.4015151), wk = 0.0025773 k( 55) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0025773 k( 56) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0025773 k( 57) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0025773 k( 58) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0025773 k( 59) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0025773 k( 60) = ( 0.0000000 0.0000000 0.4469697), wk = 0.0025773 k( 61) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0025773 k( 62) = ( 0.0000000 0.0000000 0.4621212), wk = 0.0025773 k( 63) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0025773 k( 64) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0025773 k( 65) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0025773 k( 66) = ( 0.0000000 0.0000000 0.4924242), wk = 0.0025773 k( 67) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 68) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 69) = ( -0.0065852 0.0065852 0.5000000), wk = 0.0025773 k( 70) = ( -0.0131704 0.0131704 0.5000000), wk = 0.0025773 k( 71) = ( -0.0197556 0.0197556 0.5000000), wk = 0.0025773 k( 72) = ( -0.0263408 0.0263408 0.5000000), wk = 0.0025773 k( 73) = ( -0.0329260 0.0329260 0.5000000), wk = 0.0025773 k( 74) = ( -0.0329260 0.0329260 0.5000000), wk = 0.0025773 k( 75) = ( -0.0383571 0.0383571 0.4945689), wk = 0.0025773 k( 76) = ( -0.0437882 0.0437882 0.4891378), wk = 0.0025773 k( 77) = ( -0.0492193 0.0492193 0.4837067), wk = 0.0025773 k( 78) = ( -0.0546504 0.0546504 0.4782756), wk = 0.0025773 k( 79) = ( -0.0600815 0.0600815 0.4728445), wk = 0.0025773 k( 80) = ( -0.0655126 0.0655126 0.4674134), wk = 0.0025773 k( 81) = ( -0.0709437 0.0709437 0.4619823), wk = 0.0025773 k( 82) = ( -0.0763748 0.0763748 0.4565513), wk = 0.0025773 k( 83) = ( -0.0818059 0.0818059 0.4511202), wk = 0.0025773 k( 84) = ( -0.0872369 0.0872369 0.4456891), wk = 0.0025773 k( 85) = ( -0.0926680 0.0926680 0.4402580), wk = 0.0025773 k( 86) = ( -0.0980991 0.0980991 0.4348269), wk = 0.0025773 k( 87) = ( -0.1035302 0.1035302 0.4293958), wk = 0.0025773 k( 88) = ( -0.1089613 0.1089613 0.4239647), wk = 0.0025773 k( 89) = ( -0.1143924 0.1143924 0.4185336), wk = 0.0025773 k( 90) = ( -0.1198235 0.1198235 0.4131025), wk = 0.0025773 k( 91) = ( -0.1252546 0.1252546 0.4076714), wk = 0.0025773 k( 92) = ( -0.1306857 0.1306857 0.4022403), wk = 0.0025773 k( 93) = ( -0.1361168 0.1361168 0.3968092), wk = 0.0025773 k( 94) = ( -0.1415479 0.1415479 0.3913782), wk = 0.0025773 k( 95) = ( -0.1469790 0.1469790 0.3859471), wk = 0.0025773 k( 96) = ( -0.1524101 0.1524101 0.3805160), wk = 0.0025773 k( 97) = ( -0.1578412 0.1578412 0.3750849), wk = 0.0025773 k( 98) = ( -0.1632723 0.1632723 0.3696538), wk = 0.0025773 k( 99) = ( -0.1687033 0.1687033 0.3642227), wk = 0.0025773 k( 100) = ( -0.1741344 0.1741344 0.3587916), wk = 0.0025773 k( 101) = ( -0.1795655 0.1795655 0.3533605), wk = 0.0025773 k( 102) = ( -0.1849966 0.1849966 0.3479294), wk = 0.0025773 k( 103) = ( -0.1904277 0.1904277 0.3424983), wk = 0.0025773 k( 104) = ( -0.1958588 0.1958588 0.3370672), wk = 0.0025773 k( 105) = ( -0.2012899 0.2012899 0.3316361), wk = 0.0025773 k( 106) = ( -0.2067210 0.2067210 0.3262050), wk = 0.0025773 k( 107) = ( -0.2121521 0.2121521 0.3207739), wk = 0.0025773 k( 108) = ( -0.2175832 0.2175832 0.3153429), wk = 0.0025773 k( 109) = ( -0.2230143 0.2230143 0.3099118), wk = 0.0025773 k( 110) = ( -0.2284454 0.2284454 0.3044807), wk = 0.0025773 k( 111) = ( -0.2338765 0.2338765 0.2990496), wk = 0.0025773 k( 112) = ( -0.2393076 0.2393076 0.2936185), wk = 0.0025773 k( 113) = ( -0.2447386 0.2447386 0.2881874), wk = 0.0025773 k( 114) = ( -0.2501697 0.2501697 0.2827563), wk = 0.0025773 k( 115) = ( -0.2556008 0.2556008 0.2773252), wk = 0.0025773 k( 116) = ( -0.2610319 0.2610319 0.2718941), wk = 0.0025773 k( 117) = ( -0.2664630 0.2664630 0.2664630), wk = 0.0025773 k( 118) = ( -0.2664630 0.2664630 0.2664630), wk = 0.0025773 k( 119) = ( -0.2611337 0.2611337 0.2611337), wk = 0.0025773 k( 120) = ( -0.2558045 0.2558045 0.2558045), wk = 0.0025773 k( 121) = ( -0.2504752 0.2504752 0.2504752), wk = 0.0025773 k( 122) = ( -0.2451460 0.2451460 0.2451460), wk = 0.0025773 k( 123) = ( -0.2398167 0.2398167 0.2398167), wk = 0.0025773 k( 124) = ( -0.2344874 0.2344875 0.2344874), wk = 0.0025773 k( 125) = ( -0.2291582 0.2291582 0.2291582), wk = 0.0025773 k( 126) = ( -0.2238289 0.2238289 0.2238289), wk = 0.0025773 k( 127) = ( -0.2184997 0.2184997 0.2184997), wk = 0.0025773 k( 128) = ( -0.2131704 0.2131704 0.2131704), wk = 0.0025773 k( 129) = ( -0.2078412 0.2078412 0.2078412), wk = 0.0025773 k( 130) = ( -0.2025119 0.2025119 0.2025119), wk = 0.0025773 k( 131) = ( -0.1971826 0.1971826 0.1971826), wk = 0.0025773 k( 132) = ( -0.1918534 0.1918534 0.1918534), wk = 0.0025773 k( 133) = ( -0.1865241 0.1865241 0.1865241), wk = 0.0025773 k( 134) = ( -0.1811948 0.1811948 0.1811949), wk = 0.0025773 k( 135) = ( -0.1758656 0.1758656 0.1758656), wk = 0.0025773 k( 136) = ( -0.1705363 0.1705363 0.1705363), wk = 0.0025773 k( 137) = ( -0.1652071 0.1652071 0.1652071), wk = 0.0025773 k( 138) = ( -0.1598778 0.1598778 0.1598778), wk = 0.0025773 k( 139) = ( -0.1545486 0.1545486 0.1545486), wk = 0.0025773 k( 140) = ( -0.1492193 0.1492193 0.1492193), wk = 0.0025773 k( 141) = ( -0.1438900 0.1438900 0.1438900), wk = 0.0025773 k( 142) = ( -0.1385608 0.1385608 0.1385608), wk = 0.0025773 k( 143) = ( -0.1332315 0.1332315 0.1332315), wk = 0.0025773 k( 144) = ( -0.1279022 0.1279022 0.1279022), wk = 0.0025773 k( 145) = ( -0.1225730 0.1225730 0.1225730), wk = 0.0025773 k( 146) = ( -0.1172437 0.1172437 0.1172437), wk = 0.0025773 k( 147) = ( -0.1119145 0.1119145 0.1119145), wk = 0.0025773 k( 148) = ( -0.1065852 0.1065852 0.1065852), wk = 0.0025773 k( 149) = ( -0.1012559 0.1012559 0.1012559), wk = 0.0025773 k( 150) = ( -0.0959267 0.0959267 0.0959267), wk = 0.0025773 k( 151) = ( -0.0905974 0.0905974 0.0905974), wk = 0.0025773 k( 152) = ( -0.0852682 0.0852682 0.0852682), wk = 0.0025773 k( 153) = ( -0.0799389 0.0799389 0.0799389), wk = 0.0025773 k( 154) = ( -0.0746096 0.0746096 0.0746096), wk = 0.0025773 k( 155) = ( -0.0692804 0.0692804 0.0692804), wk = 0.0025773 k( 156) = ( -0.0639511 0.0639511 0.0639511), wk = 0.0025773 k( 157) = ( -0.0586219 0.0586219 0.0586219), wk = 0.0025773 k( 158) = ( -0.0532926 0.0532926 0.0532926), wk = 0.0025773 k( 159) = ( -0.0479633 0.0479633 0.0479633), wk = 0.0025773 k( 160) = ( -0.0426341 0.0426341 0.0426341), wk = 0.0025773 k( 161) = ( -0.0373048 0.0373048 0.0373048), wk = 0.0025773 k( 162) = ( -0.0319756 0.0319756 0.0319756), wk = 0.0025773 k( 163) = ( -0.0266463 0.0266463 0.0266463), wk = 0.0025773 k( 164) = ( -0.0213170 0.0213170 0.0213170), wk = 0.0025773 k( 165) = ( -0.0159878 0.0159878 0.0159878), wk = 0.0025773 k( 166) = ( -0.0106585 0.0106585 0.0106585), wk = 0.0025773 k( 167) = ( -0.0053293 0.0053293 0.0053293), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 170) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0025773 k( 171) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0025773 k( 172) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0025773 k( 173) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0025773 k( 174) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0025773 k( 175) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0025773 k( 176) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0025773 k( 177) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0025773 k( 178) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0025773 k( 179) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0025773 k( 180) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0025773 k( 181) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0025773 k( 182) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0025773 k( 183) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0025773 k( 184) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0025773 k( 185) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0025773 k( 186) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0025773 k( 187) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0025773 k( 188) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0025773 k( 189) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0025773 k( 190) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0025773 k( 191) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0025773 k( 192) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0025773 k( 193) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025773 k( 194) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025773 k( 195) = ( 0.4945689 0.5054311 -0.4945689), wk = 0.0025773 k( 196) = ( 0.4891378 0.5108622 -0.4891378), wk = 0.0025773 k( 197) = ( 0.4837067 0.5162933 -0.4837067), wk = 0.0025773 k( 198) = ( 0.4782756 0.5217244 -0.4782756), wk = 0.0025773 k( 199) = ( 0.4728445 0.5271555 -0.4728445), wk = 0.0025773 k( 200) = ( 0.4674134 0.5325866 -0.4674134), wk = 0.0025773 k( 201) = ( 0.4619823 0.5380177 -0.4619824), wk = 0.0025773 k( 202) = ( 0.4565513 0.5434487 -0.4565513), wk = 0.0025773 k( 203) = ( 0.4511202 0.5488798 -0.4511202), wk = 0.0025773 k( 204) = ( 0.4456891 0.5543109 -0.4456891), wk = 0.0025773 k( 205) = ( 0.4402580 0.5597420 -0.4402580), wk = 0.0025773 k( 206) = ( 0.4348269 0.5651731 -0.4348269), wk = 0.0025773 k( 207) = ( 0.4293958 0.5706042 -0.4293958), wk = 0.0025773 k( 208) = ( 0.4239647 0.5760353 -0.4239647), wk = 0.0025773 k( 209) = ( 0.4185336 0.5814664 -0.4185336), wk = 0.0025773 k( 210) = ( 0.4131025 0.5868975 -0.4131025), wk = 0.0025773 k( 211) = ( 0.4076714 0.5923286 -0.4076714), wk = 0.0025773 k( 212) = ( 0.4022403 0.5977597 -0.4022403), wk = 0.0025773 k( 213) = ( 0.3968092 0.6031908 -0.3968092), wk = 0.0025773 k( 214) = ( 0.3913781 0.6086219 -0.3913781), wk = 0.0025773 k( 215) = ( 0.3859471 0.6140530 -0.3859471), wk = 0.0025773 k( 216) = ( 0.3805160 0.6194840 -0.3805160), wk = 0.0025773 k( 217) = ( 0.3750849 0.6249151 -0.3750849), wk = 0.0025773 k( 218) = ( 0.3696538 0.6303462 -0.3696538), wk = 0.0025773 k( 219) = ( 0.3642227 0.6357773 -0.3642227), wk = 0.0025773 k( 220) = ( 0.3587916 0.6412084 -0.3587916), wk = 0.0025773 k( 221) = ( 0.3533605 0.6466395 -0.3533605), wk = 0.0025773 k( 222) = ( 0.3479294 0.6520706 -0.3479294), wk = 0.0025773 k( 223) = ( 0.3424983 0.6575017 -0.3424983), wk = 0.0025773 k( 224) = ( 0.3370672 0.6629328 -0.3370672), wk = 0.0025773 k( 225) = ( 0.3316361 0.6683639 -0.3316361), wk = 0.0025773 k( 226) = ( 0.3262050 0.6737950 -0.3262050), wk = 0.0025773 k( 227) = ( 0.3207739 0.6792261 -0.3207739), wk = 0.0025773 k( 228) = ( 0.3153429 0.6846572 -0.3153428), wk = 0.0025773 k( 229) = ( 0.3099117 0.6900882 -0.3099117), wk = 0.0025773 k( 230) = ( 0.3044807 0.6955193 -0.3044807), wk = 0.0025773 k( 231) = ( 0.2990496 0.7009504 -0.2990496), wk = 0.0025773 k( 232) = ( 0.2936185 0.7063815 -0.2936185), wk = 0.0025773 k( 233) = ( 0.2881874 0.7118126 -0.2881874), wk = 0.0025773 k( 234) = ( 0.2827563 0.7172437 -0.2827563), wk = 0.0025773 k( 235) = ( 0.2773252 0.7226748 -0.2773252), wk = 0.0025773 k( 236) = ( 0.2718941 0.7281059 -0.2718941), wk = 0.0025773 k( 237) = ( 0.2664630 0.7335370 -0.2664630), wk = 0.0025773 k( 238) = ( 0.2664630 0.7335370 -0.2664630), wk = 0.0025773 k( 239) = ( 0.2459659 0.7155726 -0.2459659), wk = 0.0025773 k( 240) = ( 0.2254687 0.6976082 -0.2254687), wk = 0.0025773 k( 241) = ( 0.2049716 0.6796438 -0.2049716), wk = 0.0025773 k( 242) = ( 0.1844744 0.6616794 -0.1844744), wk = 0.0025773 k( 243) = ( 0.1639772 0.6437151 -0.1639772), wk = 0.0025773 k( 244) = ( 0.1434801 0.6257507 -0.1434801), wk = 0.0025773 k( 245) = ( 0.1229829 0.6077863 -0.1229829), wk = 0.0025773 k( 246) = ( 0.1024858 0.5898219 -0.1024858), wk = 0.0025773 k( 247) = ( 0.0819886 0.5718575 -0.0819886), wk = 0.0025773 k( 248) = ( 0.0614915 0.5538931 -0.0614915), wk = 0.0025773 k( 249) = ( 0.0409943 0.5359288 -0.0409943), wk = 0.0025773 k( 250) = ( 0.0204971 0.5179644 -0.0204972), wk = 0.0025773 k( 251) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 252) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 253) = ( 0.0053191 0.4946808 0.0053191), wk = 0.0025773 k( 254) = ( 0.0106383 0.4893617 0.0106383), wk = 0.0025773 k( 255) = ( 0.0159575 0.4840426 0.0159575), wk = 0.0025773 k( 256) = ( 0.0212766 0.4787234 0.0212766), wk = 0.0025773 k( 257) = ( 0.0265957 0.4734043 0.0265957), wk = 0.0025773 k( 258) = ( 0.0319149 0.4680851 0.0319149), wk = 0.0025773 k( 259) = ( 0.0372340 0.4627660 0.0372340), wk = 0.0025773 k( 260) = ( 0.0425532 0.4574468 0.0425532), wk = 0.0025773 k( 261) = ( 0.0478723 0.4521277 0.0478723), wk = 0.0025773 k( 262) = ( 0.0531915 0.4468085 0.0531915), wk = 0.0025773 k( 263) = ( 0.0585106 0.4414894 0.0585106), wk = 0.0025773 k( 264) = ( 0.0638298 0.4361702 0.0638298), wk = 0.0025773 k( 265) = ( 0.0691489 0.4308511 0.0691489), wk = 0.0025773 k( 266) = ( 0.0744681 0.4255319 0.0744681), wk = 0.0025773 k( 267) = ( 0.0797872 0.4202128 0.0797872), wk = 0.0025773 k( 268) = ( 0.0851064 0.4148936 0.0851064), wk = 0.0025773 k( 269) = ( 0.0904255 0.4095745 0.0904255), wk = 0.0025773 k( 270) = ( 0.0957447 0.4042553 0.0957447), wk = 0.0025773 k( 271) = ( 0.1010638 0.3989362 0.1010638), wk = 0.0025773 k( 272) = ( 0.1063830 0.3936170 0.1063830), wk = 0.0025773 k( 273) = ( 0.1117021 0.3882979 0.1117021), wk = 0.0025773 k( 274) = ( 0.1170213 0.3829787 0.1170213), wk = 0.0025773 k( 275) = ( 0.1223404 0.3776596 0.1223404), wk = 0.0025773 k( 276) = ( 0.1276596 0.3723404 0.1276596), wk = 0.0025773 k( 277) = ( 0.1329787 0.3670213 0.1329787), wk = 0.0025773 k( 278) = ( 0.1382979 0.3617021 0.1382979), wk = 0.0025773 k( 279) = ( 0.1436170 0.3563830 0.1436170), wk = 0.0025773 k( 280) = ( 0.1489362 0.3510638 0.1489362), wk = 0.0025773 k( 281) = ( 0.1542553 0.3457447 0.1542553), wk = 0.0025773 k( 282) = ( 0.1595745 0.3404255 0.1595745), wk = 0.0025773 k( 283) = ( 0.1648936 0.3351064 0.1648936), wk = 0.0025773 k( 284) = ( 0.1702128 0.3297872 0.1702128), wk = 0.0025773 k( 285) = ( 0.1755319 0.3244681 0.1755319), wk = 0.0025773 k( 286) = ( 0.1808511 0.3191489 0.1808511), wk = 0.0025773 k( 287) = ( 0.1861702 0.3138298 0.1861702), wk = 0.0025773 k( 288) = ( 0.1914894 0.3085106 0.1914894), wk = 0.0025773 k( 289) = ( 0.1968085 0.3031915 0.1968085), wk = 0.0025773 k( 290) = ( 0.2021277 0.2978723 0.2021277), wk = 0.0025773 k( 291) = ( 0.2074468 0.2925532 0.2074468), wk = 0.0025773 k( 292) = ( 0.2127660 0.2872340 0.2127660), wk = 0.0025773 k( 293) = ( 0.2180851 0.2819149 0.2180851), wk = 0.0025773 k( 294) = ( 0.2234043 0.2765957 0.2234043), wk = 0.0025773 k( 295) = ( 0.2287234 0.2712766 0.2287234), wk = 0.0025773 k( 296) = ( 0.2340425 0.2659574 0.2340425), wk = 0.0025773 k( 297) = ( 0.2393617 0.2606383 0.2393617), wk = 0.0025773 k( 298) = ( 0.2446809 0.2553191 0.2446808), wk = 0.0025773 k( 299) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025773 k( 300) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025773 k( 301) = ( 0.2692308 0.2692308 0.2282365), wk = 0.0025773 k( 302) = ( 0.2884615 0.2884615 0.2064729), wk = 0.0025773 k( 303) = ( 0.3076923 0.3076923 0.1847094), wk = 0.0025773 k( 304) = ( 0.3269231 0.3269231 0.1629458), wk = 0.0025773 k( 305) = ( 0.3461538 0.3461538 0.1411823), wk = 0.0025773 k( 306) = ( 0.3653846 0.3653846 0.1194188), wk = 0.0025773 k( 307) = ( 0.3846154 0.3846154 0.0976552), wk = 0.0025773 k( 308) = ( 0.4038462 0.4038462 0.0758917), wk = 0.0025773 k( 309) = ( 0.4230769 0.4230769 0.0541281), wk = 0.0025773 k( 310) = ( 0.4423077 0.4423077 0.0323646), wk = 0.0025773 k( 311) = ( 0.4615385 0.4615385 0.0106011), wk = 0.0025773 k( 312) = ( 0.4807692 0.4807692 -0.0111625), wk = 0.0025773 k( 313) = ( 0.5000000 0.5000000 -0.0329260), wk = 0.0025773 k( 314) = ( 0.5000000 0.5000000 -0.0329260), wk = 0.0025773 k( 315) = ( 0.5000000 0.5000000 -0.0405830), wk = 0.0025773 k( 316) = ( 0.5000000 0.5000000 -0.0482399), wk = 0.0025773 k( 317) = ( 0.5000000 0.5000000 -0.0558969), wk = 0.0025773 k( 318) = ( 0.5000000 0.5000000 -0.0635538), wk = 0.0025773 k( 319) = ( 0.5000000 0.5000000 -0.0712108), wk = 0.0025773 k( 320) = ( 0.5000000 0.5000000 -0.0788677), wk = 0.0025773 k( 321) = ( 0.5000000 0.5000000 -0.0865247), wk = 0.0025773 k( 322) = ( 0.5000000 0.5000000 -0.0941816), wk = 0.0025773 k( 323) = ( 0.5000000 0.5000000 -0.1018386), wk = 0.0025773 k( 324) = ( 0.5000000 0.5000000 -0.1094955), wk = 0.0025773 k( 325) = ( 0.5000000 0.5000000 -0.1171525), wk = 0.0025773 k( 326) = ( 0.5000000 0.5000000 -0.1248094), wk = 0.0025773 k( 327) = ( 0.5000000 0.5000000 -0.1324664), wk = 0.0025773 k( 328) = ( 0.5000000 0.5000000 -0.1401233), wk = 0.0025773 k( 329) = ( 0.5000000 0.5000000 -0.1477803), wk = 0.0025773 k( 330) = ( 0.5000000 0.5000000 -0.1554372), wk = 0.0025773 k( 331) = ( 0.5000000 0.5000000 -0.1630942), wk = 0.0025773 k( 332) = ( 0.5000000 0.5000000 -0.1707511), wk = 0.0025773 k( 333) = ( 0.5000000 0.5000000 -0.1784081), wk = 0.0025773 k( 334) = ( 0.5000000 0.5000000 -0.1860650), wk = 0.0025773 k( 335) = ( 0.5000000 0.5000000 -0.1937220), wk = 0.0025773 k( 336) = ( 0.5000000 0.5000000 -0.2013789), wk = 0.0025773 k( 337) = ( 0.5000000 0.5000000 -0.2090359), wk = 0.0025773 k( 338) = ( 0.5000000 0.5000000 -0.2166928), wk = 0.0025773 k( 339) = ( 0.5000000 0.5000000 -0.2243498), wk = 0.0025773 k( 340) = ( 0.5000000 0.5000000 -0.2320067), wk = 0.0025773 k( 341) = ( 0.5000000 0.5000000 -0.2396637), wk = 0.0025773 k( 342) = ( 0.5000000 0.5000000 -0.2473206), wk = 0.0025773 k( 343) = ( 0.5000000 0.5000000 -0.2549776), wk = 0.0025773 k( 344) = ( 0.5000000 0.5000000 -0.2626345), wk = 0.0025773 k( 345) = ( 0.5000000 0.5000000 -0.2702915), wk = 0.0025773 k( 346) = ( 0.5000000 0.5000000 -0.2779484), wk = 0.0025773 k( 347) = ( 0.5000000 0.5000000 -0.2856054), wk = 0.0025773 k( 348) = ( 0.5000000 0.5000000 -0.2932623), wk = 0.0025773 k( 349) = ( 0.5000000 0.5000000 -0.3009193), wk = 0.0025773 k( 350) = ( 0.5000000 0.5000000 -0.3085762), wk = 0.0025773 k( 351) = ( 0.5000000 0.5000000 -0.3162332), wk = 0.0025773 k( 352) = ( 0.5000000 0.5000000 -0.3238901), wk = 0.0025773 k( 353) = ( 0.5000000 0.5000000 -0.3315471), wk = 0.0025773 k( 354) = ( 0.5000000 0.5000000 -0.3392040), wk = 0.0025773 k( 355) = ( 0.5000000 0.5000000 -0.3468610), wk = 0.0025773 k( 356) = ( 0.5000000 0.5000000 -0.3545179), wk = 0.0025773 k( 357) = ( 0.5000000 0.5000000 -0.3621749), wk = 0.0025773 k( 358) = ( 0.5000000 0.5000000 -0.3698318), wk = 0.0025773 k( 359) = ( 0.5000000 0.5000000 -0.3774888), wk = 0.0025773 k( 360) = ( 0.5000000 0.5000000 -0.3851457), wk = 0.0025773 k( 361) = ( 0.5000000 0.5000000 -0.3928027), wk = 0.0025773 k( 362) = ( 0.5000000 0.5000000 -0.4004596), wk = 0.0025773 k( 363) = ( 0.5000000 0.5000000 -0.4081166), wk = 0.0025773 k( 364) = ( 0.5000000 0.5000000 -0.4157736), wk = 0.0025773 k( 365) = ( 0.5000000 0.5000000 -0.4234305), wk = 0.0025773 k( 366) = ( 0.5000000 0.5000000 -0.4310875), wk = 0.0025773 k( 367) = ( 0.5000000 0.5000000 -0.4387444), wk = 0.0025773 k( 368) = ( 0.5000000 0.5000000 -0.4464014), wk = 0.0025773 k( 369) = ( 0.5000000 0.5000000 -0.4540583), wk = 0.0025773 k( 370) = ( 0.5000000 0.5000000 -0.4617153), wk = 0.0025773 k( 371) = ( 0.5000000 0.5000000 -0.4693722), wk = 0.0025773 k( 372) = ( 0.5000000 0.5000000 -0.4770292), wk = 0.0025773 k( 373) = ( 0.5000000 0.5000000 -0.4846861), wk = 0.0025773 k( 374) = ( 0.5000000 0.5000000 -0.4923431), wk = 0.0025773 k( 375) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025773 k( 376) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 377) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0025773 k( 378) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0025773 k( 379) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0025773 k( 380) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0025773 k( 381) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0025773 k( 382) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0025773 k( 383) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0025773 k( 384) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0025773 k( 385) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0025773 k( 386) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0025773 k( 387) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0025773 k( 388) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025773 Dense grid: 74873 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 38773 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 280, 50) NL pseudopotentials 0.19 Mb ( 140, 90) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2081) G-vector shells 0.01 Mb ( 980) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.85 Mb ( 280, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.14 Mb ( 90, 2, 50) The potential is recalculated from file : ./Na2HgO2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.5 secs Computing kpt #: 7 total cpu time spent up to now is 8.2 secs Computing kpt #: 8 total cpu time spent up to now is 9.1 secs Computing kpt #: 9 total cpu time spent up to now is 9.9 secs Computing kpt #: 10 total cpu time spent up to now is 10.7 secs Computing kpt #: 11 total cpu time spent up to now is 11.6 secs Computing kpt #: 12 total cpu time spent up to now is 12.6 secs Computing kpt #: 13 total cpu time spent up to now is 13.5 secs Computing kpt #: 14 total cpu time spent up to now is 14.5 secs Computing kpt #: 15 total cpu time spent up to now is 15.5 secs Computing kpt #: 16 total cpu time spent up to now is 16.5 secs Computing kpt #: 17 total cpu time spent up to now is 17.5 secs Computing kpt #: 18 total cpu time spent up to now is 18.6 secs Computing kpt #: 19 total cpu time spent up to now is 19.6 secs Computing kpt #: 20 total cpu time spent up to now is 20.7 secs Computing kpt #: 21 total cpu time spent up to now is 21.8 secs Computing kpt #: 22 total cpu time spent up to now is 22.9 secs Computing kpt #: 23 total cpu time spent up to now is 24.0 secs Computing kpt #: 24 total cpu time spent up to now is 25.1 secs Computing kpt #: 25 total cpu time spent up to now is 26.2 secs Computing kpt #: 26 total cpu time spent up to now is 27.3 secs Computing kpt #: 27 total cpu time spent up to now is 28.4 secs Computing kpt #: 28 total cpu time spent up to now is 29.4 secs Computing kpt #: 29 total cpu time spent up to now is 30.4 secs Computing kpt #: 30 total cpu time spent up to now is 31.4 secs Computing kpt #: 31 total cpu time spent up to now is 32.3 secs Computing kpt #: 32 total cpu time spent up to now is 33.3 secs Computing kpt #: 33 total cpu time spent up to now is 34.5 secs Computing kpt #: 34 total cpu time spent up to now is 35.6 secs Computing kpt #: 35 total cpu time spent up to now is 36.8 secs Computing kpt #: 36 total cpu time spent up to now is 38.0 secs Computing kpt #: 37 total cpu time spent up to now is 39.2 secs Computing kpt #: 38 total cpu time spent up to now is 40.5 secs Computing kpt #: 39 total cpu time spent up to now is 41.9 secs Computing kpt #: 40 total cpu time spent up to now is 43.4 secs Computing kpt #: 41 total cpu time spent up to now is 44.7 secs Computing kpt #: 42 total cpu time spent up to now is 46.0 secs Computing kpt #: 43 total cpu time spent up to now is 47.1 secs Computing kpt #: 44 total cpu time spent up to now is 48.3 secs Computing kpt #: 45 total cpu time spent up to now is 49.3 secs Computing kpt #: 46 total cpu time spent up to now is 50.3 secs Computing kpt #: 47 total cpu time spent up to now is 51.2 secs Computing kpt #: 48 total cpu time spent up to now is 52.2 secs Computing kpt #: 49 total cpu time spent up to now is 53.2 secs Computing kpt #: 50 total cpu time spent up to now is 54.2 secs Computing kpt #: 51 total cpu time spent up to now is 55.1 secs Computing kpt #: 52 total cpu time spent up to now is 56.0 secs Computing kpt #: 53 total cpu time spent up to now is 56.9 secs Computing kpt #: 54 total cpu time spent up to now is 57.8 secs Computing kpt #: 55 total cpu time spent up to now is 58.6 secs Computing kpt #: 56 total cpu time spent up to now is 59.6 secs Computing kpt #: 57 total cpu time spent up to now is 60.5 secs Computing kpt #: 58 total cpu time spent up to now is 61.3 secs Computing kpt #: 59 total cpu time spent up to now is 62.1 secs Computing kpt #: 60 total cpu time spent up to now is 63.0 secs Computing kpt #: 61 total cpu time spent up to now is 63.8 secs Computing kpt #: 62 total cpu time spent up to now is 64.6 secs Computing kpt #: 63 total cpu time spent up to now is 65.5 secs Computing kpt #: 64 total cpu time spent up to now is 66.3 secs Computing kpt #: 65 total cpu time spent up to now is 67.1 secs Computing kpt #: 66 total cpu time spent up to now is 67.9 secs Computing kpt #: 67 total cpu time spent up to now is 68.7 secs Computing kpt #: 68 total cpu time spent up to now is 69.5 secs Computing kpt #: 69 total cpu time spent up to now is 70.3 secs Computing kpt #: 70 total cpu time spent up to now is 71.1 secs Computing kpt #: 71 total cpu time spent up to now is 71.9 secs Computing kpt #: 72 total cpu time spent up to now is 72.7 secs Computing kpt #: 73 total cpu time spent up to now is 73.6 secs Computing kpt #: 74 total cpu time spent up to now is 74.5 secs Computing kpt #: 75 total cpu time spent up to now is 75.3 secs Computing kpt #: 76 total cpu time spent up to now is 76.2 secs Computing kpt #: 77 total cpu time spent up to now is 77.3 secs Computing kpt #: 78 total cpu time spent up to now is 78.2 secs Computing kpt #: 79 total cpu time spent up to now is 79.1 secs Computing kpt #: 80 total cpu time spent up to now is 80.0 secs Computing kpt #: 81 total cpu time spent up to now is 80.9 secs Computing kpt #: 82 total cpu time spent up to now is 81.8 secs Computing kpt #: 83 total cpu time spent up to now is 82.8 secs Computing kpt #: 84 total cpu time spent up to now is 83.9 secs Computing kpt #: 85 total cpu time spent up to now is 84.9 secs Computing kpt #: 86 total cpu time spent up to now is 86.3 secs Computing kpt #: 87 total cpu time spent up to now is 87.5 secs Computing kpt #: 88 total cpu time spent up to now is 88.6 secs Computing kpt #: 89 total cpu time spent up to now is 89.6 secs Computing kpt #: 90 total cpu time spent up to now is 90.5 secs Computing kpt #: 91 total cpu time spent up to now is 91.6 secs Computing kpt #: 92 total cpu time spent up to now is 92.6 secs Computing kpt #: 93 total cpu time spent up to now is 93.5 secs Computing kpt #: 94 total cpu time spent up to now is 94.4 secs Computing kpt #: 95 total cpu time spent up to now is 95.3 secs Computing kpt #: 96 total cpu time spent up to now is 96.3 secs Computing kpt #: 97 total cpu time spent up to now is 97.3 secs Computing kpt #: 98 total cpu time spent up to now is 98.3 secs Computing kpt #: 99 total cpu time spent up to now is 99.4 secs Computing kpt #: 100 total cpu time spent up to now is 100.4 secs Computing kpt #: 101 total cpu time spent up to now is 101.5 secs Computing kpt #: 102 total cpu time spent up to now is 102.6 secs Computing kpt #: 103 total cpu time spent up to now is 103.6 secs Computing kpt #: 104 total cpu time spent up to now is 104.7 secs Computing kpt #: 105 total cpu time spent up to now is 105.8 secs Computing kpt #: 106 total cpu time spent up to now is 106.9 secs Computing kpt #: 107 total cpu time spent up to now is 108.0 secs Computing kpt #: 108 total cpu time spent up to now is 109.1 secs Computing kpt #: 109 total cpu time spent up to now is 110.1 secs Computing kpt #: 110 total cpu time spent up to now is 111.2 secs Computing kpt #: 111 total cpu time spent up to now is 112.3 secs Computing kpt #: 112 total cpu time spent up to now is 113.4 secs Computing kpt #: 113 total cpu time spent up to now is 114.5 secs Computing kpt #: 114 total cpu time spent up to now is 115.4 secs Computing kpt #: 115 total cpu time spent up to now is 116.5 secs Computing kpt #: 116 total cpu time spent up to now is 117.6 secs Computing kpt #: 117 total cpu time spent up to now is 118.6 secs Computing kpt #: 118 total cpu time spent up to now is 119.7 secs Computing kpt #: 119 total cpu time spent up to now is 120.7 secs Computing kpt #: 120 total cpu time spent up to now is 121.8 secs Computing kpt #: 121 total cpu time spent up to now is 122.9 secs Computing kpt #: 122 total cpu time spent up to now is 124.0 secs Computing kpt #: 123 total cpu time spent up to now is 125.1 secs Computing kpt #: 124 total cpu time spent up to now is 126.2 secs Computing kpt #: 125 total cpu time spent up to now is 127.3 secs Computing kpt #: 126 total cpu time spent up to now is 128.4 secs Computing kpt #: 127 total cpu time spent up to now is 129.5 secs Computing kpt #: 128 total cpu time spent up to now is 130.6 secs Computing kpt #: 129 total cpu time spent up to now is 131.5 secs Computing kpt #: 130 total cpu time spent up to now is 132.5 secs Computing kpt #: 131 total cpu time spent up to now is 133.5 secs Computing kpt #: 132 total cpu time spent up to now is 134.4 secs Computing kpt #: 133 total cpu time spent up to now is 135.4 secs Computing kpt #: 134 total cpu time spent up to now is 136.3 secs Computing kpt #: 135 total cpu time spent up to now is 137.2 secs Computing kpt #: 136 total cpu time spent up to now is 138.0 secs Computing kpt #: 137 total cpu time spent up to now is 138.8 secs Computing kpt #: 138 total cpu time spent up to now is 139.5 secs Computing kpt #: 139 total cpu time spent up to now is 140.3 secs Computing kpt #: 140 total cpu time spent up to now is 141.0 secs Computing kpt #: 141 total cpu time spent up to now is 141.8 secs Computing kpt #: 142 total cpu time spent up to now is 142.5 secs Computing kpt #: 143 total cpu time spent up to now is 143.3 secs Computing kpt #: 144 total cpu time spent up to now is 144.0 secs Computing kpt #: 145 total cpu time spent up to now is 144.8 secs Computing kpt #: 146 total cpu time spent up to now is 145.5 secs Computing kpt #: 147 total cpu time spent up to now is 146.2 secs Computing kpt #: 148 total cpu time spent up to now is 147.0 secs Computing kpt #: 149 total cpu time spent up to now is 147.7 secs Computing kpt #: 150 total cpu time spent up to now is 148.4 secs Computing kpt #: 151 total cpu time spent up to now is 149.2 secs Computing kpt #: 152 total cpu time spent up to now is 149.9 secs Computing kpt #: 153 total cpu time spent up to now is 150.7 secs Computing kpt #: 154 total cpu time spent up to now is 151.5 secs Computing kpt #: 155 total cpu time spent up to now is 152.3 secs Computing kpt #: 156 total cpu time spent up to now is 153.1 secs Computing kpt #: 157 total cpu time spent up to now is 154.0 secs Computing kpt #: 158 total cpu time spent up to now is 154.9 secs Computing kpt #: 159 total cpu time spent up to now is 155.8 secs Computing kpt #: 160 total cpu time spent up to now is 156.6 secs Computing kpt #: 161 total cpu time spent up to now is 157.4 secs Computing kpt #: 162 total cpu time spent up to now is 158.3 secs Computing kpt #: 163 total cpu time spent up to now is 159.1 secs Computing kpt #: 164 total cpu time spent up to now is 159.8 secs Computing kpt #: 165 total cpu time spent up to now is 160.6 secs Computing kpt #: 166 total cpu time spent up to now is 161.3 secs Computing kpt #: 167 total cpu time spent up to now is 162.0 secs Computing kpt #: 168 total cpu time spent up to now is 162.8 secs Computing kpt #: 169 total cpu time spent up to now is 163.5 secs Computing kpt #: 170 total cpu time spent up to now is 164.3 secs Computing kpt #: 171 total cpu time spent up to now is 165.0 secs Computing kpt #: 172 total cpu time spent up to now is 165.8 secs Computing kpt #: 173 total cpu time spent up to now is 166.5 secs Computing kpt #: 174 total cpu time spent up to now is 167.2 secs Computing kpt #: 175 total cpu time spent up to now is 168.0 secs Computing kpt #: 176 total cpu time spent up to now is 168.7 secs Computing kpt #: 177 total cpu time spent up to now is 169.5 secs Computing kpt #: 178 total cpu time spent up to now is 170.2 secs Computing kpt #: 179 total cpu time spent up to now is 171.0 secs Computing kpt #: 180 total cpu time spent up to now is 171.7 secs Computing kpt #: 181 total cpu time spent up to now is 172.5 secs Computing kpt #: 182 total cpu time spent up to now is 173.3 secs Computing kpt #: 183 total cpu time spent up to now is 174.2 secs Computing kpt #: 184 total cpu time spent up to now is 174.9 secs Computing kpt #: 185 total cpu time spent up to now is 175.7 secs Computing kpt #: 186 total cpu time spent up to now is 176.5 secs Computing kpt #: 187 total cpu time spent up to now is 177.2 secs Computing kpt #: 188 total cpu time spent up to now is 178.1 secs Computing kpt #: 189 total cpu time spent up to now is 179.0 secs Computing kpt #: 190 total cpu time spent up to now is 180.0 secs Computing kpt #: 191 total cpu time spent up to now is 181.0 secs Computing kpt #: 192 total cpu time spent up to now is 182.2 secs Computing kpt #: 193 total cpu time spent up to now is 183.3 secs Computing kpt #: 194 total cpu time spent up to now is 184.3 secs Computing kpt #: 195 total cpu time spent up to now is 185.4 secs Computing kpt #: 196 total cpu time spent up to now is 186.5 secs Computing kpt #: 197 total cpu time spent up to now is 187.7 secs Computing kpt #: 198 total cpu time spent up to now is 188.8 secs Computing kpt #: 199 total cpu time spent up to now is 190.0 secs Computing kpt #: 200 total cpu time spent up to now is 191.2 secs Computing kpt #: 201 total cpu time spent up to now is 192.3 secs Computing kpt #: 202 total cpu time spent up to now is 193.2 secs Computing kpt #: 203 total cpu time spent up to now is 194.2 secs Computing kpt #: 204 total cpu time spent up to now is 195.3 secs Computing kpt #: 205 total cpu time spent up to now is 196.3 secs Computing kpt #: 206 total cpu time spent up to now is 197.3 secs Computing kpt #: 207 total cpu time spent up to now is 198.3 secs Computing kpt #: 208 total cpu time spent up to now is 199.2 secs Computing kpt #: 209 total cpu time spent up to now is 200.2 secs Computing kpt #: 210 total cpu time spent up to now is 201.2 secs Computing kpt #: 211 total cpu time spent up to now is 202.2 secs Computing kpt #: 212 total cpu time spent up to now is 203.1 secs Computing kpt #: 213 total cpu time spent up to now is 204.1 secs Computing kpt #: 214 total cpu time spent up to now is 205.0 secs Computing kpt #: 215 total cpu time spent up to now is 206.0 secs Computing kpt #: 216 total cpu time spent up to now is 206.9 secs Computing kpt #: 217 total cpu time spent up to now is 207.9 secs Computing kpt #: 218 total cpu time spent up to now is 209.0 secs Computing kpt #: 219 total cpu time spent up to now is 210.0 secs Computing kpt #: 220 total cpu time spent up to now is 211.0 secs Computing kpt #: 221 total cpu time spent up to now is 212.0 secs Computing kpt #: 222 total cpu time spent up to now is 213.1 secs Computing kpt #: 223 total cpu time spent up to now is 214.1 secs Computing kpt #: 224 total cpu time spent up to now is 215.2 secs Computing kpt #: 225 total cpu time spent up to now is 216.3 secs Computing kpt #: 226 total cpu time spent up to now is 217.4 secs Computing kpt #: 227 total cpu time spent up to now is 218.6 secs Computing kpt #: 228 total cpu time spent up to now is 219.9 secs Computing kpt #: 229 total cpu time spent up to now is 221.1 secs Computing kpt #: 230 total cpu time spent up to now is 222.2 secs Computing kpt #: 231 total cpu time spent up to now is 223.3 secs Computing kpt #: 232 total cpu time spent up to now is 224.4 secs Computing kpt #: 233 total cpu time spent up to now is 225.4 secs Computing kpt #: 234 total cpu time spent up to now is 226.4 secs Computing kpt #: 235 total cpu time spent up to now is 227.5 secs Computing kpt #: 236 total cpu time spent up to now is 228.5 secs Computing kpt #: 237 total cpu time spent up to now is 229.5 secs Computing kpt #: 238 total cpu time spent up to now is 230.6 secs Computing kpt #: 239 total cpu time spent up to now is 231.7 secs Computing kpt #: 240 total cpu time spent up to now is 232.8 secs Computing kpt #: 241 total cpu time spent up to now is 233.8 secs Computing kpt #: 242 total cpu time spent up to now is 234.9 secs Computing kpt #: 243 total cpu time spent up to now is 235.9 secs Computing kpt #: 244 total cpu time spent up to now is 236.8 secs Computing kpt #: 245 total cpu time spent up to now is 237.8 secs Computing kpt #: 246 total cpu time spent up to now is 238.6 secs Computing kpt #: 247 total cpu time spent up to now is 239.4 secs Computing kpt #: 248 total cpu time spent up to now is 240.1 secs Computing kpt #: 249 total cpu time spent up to now is 240.9 secs Computing kpt #: 250 total cpu time spent up to now is 241.7 secs Computing kpt #: 251 total cpu time spent up to now is 242.4 secs Computing kpt #: 252 total cpu time spent up to now is 243.2 secs Computing kpt #: 253 total cpu time spent up to now is 244.0 secs Computing kpt #: 254 total cpu time spent up to now is 244.7 secs Computing kpt #: 255 total cpu time spent up to now is 245.6 secs Computing kpt #: 256 total cpu time spent up to now is 246.6 secs Computing kpt #: 257 total cpu time spent up to now is 247.5 secs Computing kpt #: 258 total cpu time spent up to now is 248.4 secs Computing kpt #: 259 total cpu time spent up to now is 249.4 secs Computing kpt #: 260 total cpu time spent up to now is 250.3 secs Computing kpt #: 261 total cpu time spent up to now is 251.2 secs Computing kpt #: 262 total cpu time spent up to now is 252.2 secs Computing kpt #: 263 total cpu time spent up to now is 253.1 secs Computing kpt #: 264 total cpu time spent up to now is 254.1 secs Computing kpt #: 265 total cpu time spent up to now is 255.1 secs Computing kpt #: 266 total cpu time spent up to now is 256.0 secs Computing kpt #: 267 total cpu time spent up to now is 257.0 secs Computing kpt #: 268 total cpu time spent up to now is 258.1 secs Computing kpt #: 269 total cpu time spent up to now is 259.1 secs Computing kpt #: 270 total cpu time spent up to now is 260.2 secs Computing kpt #: 271 total cpu time spent up to now is 261.3 secs Computing kpt #: 272 total cpu time spent up to now is 262.4 secs Computing kpt #: 273 total cpu time spent up to now is 263.5 secs Computing kpt #: 274 total cpu time spent up to now is 264.7 secs Computing kpt #: 275 total cpu time spent up to now is 266.0 secs Computing kpt #: 276 total cpu time spent up to now is 267.0 secs Computing kpt #: 277 total cpu time spent up to now is 268.3 secs Computing kpt #: 278 total cpu time spent up to now is 269.3 secs Computing kpt #: 279 total cpu time spent up to now is 270.3 secs Computing kpt #: 280 total cpu time spent up to now is 271.3 secs Computing kpt #: 281 total cpu time spent up to now is 272.3 secs Computing kpt #: 282 total cpu time spent up to now is 273.2 secs Computing kpt #: 283 total cpu time spent up to now is 274.1 secs Computing kpt #: 284 total cpu time spent up to now is 275.0 secs Computing kpt #: 285 total cpu time spent up to now is 275.9 secs Computing kpt #: 286 total cpu time spent up to now is 276.8 secs Computing kpt #: 287 total cpu time spent up to now is 277.7 secs Computing kpt #: 288 total cpu time spent up to now is 278.6 secs Computing kpt #: 289 total cpu time spent up to now is 279.5 secs Computing kpt #: 290 total cpu time spent up to now is 280.3 secs Computing kpt #: 291 total cpu time spent up to now is 281.2 secs Computing kpt #: 292 total cpu time spent up to now is 282.0 secs Computing kpt #: 293 total cpu time spent up to now is 282.9 secs Computing kpt #: 294 total cpu time spent up to now is 283.7 secs Computing kpt #: 295 total cpu time spent up to now is 284.6 secs Computing kpt #: 296 total cpu time spent up to now is 285.4 secs Computing kpt #: 297 total cpu time spent up to now is 286.3 secs Computing kpt #: 298 total cpu time spent up to now is 287.0 secs Computing kpt #: 299 total cpu time spent up to now is 287.9 secs Computing kpt #: 300 total cpu time spent up to now is 288.7 secs Computing kpt #: 301 total cpu time spent up to now is 289.5 secs Computing kpt #: 302 total cpu time spent up to now is 290.3 secs Computing kpt #: 303 total cpu time spent up to now is 291.1 secs Computing kpt #: 304 total cpu time spent up to now is 292.0 secs Computing kpt #: 305 total cpu time spent up to now is 292.8 secs Computing kpt #: 306 total cpu time spent up to now is 293.6 secs Computing kpt #: 307 total cpu time spent up to now is 294.5 secs Computing kpt #: 308 total cpu time spent up to now is 295.3 secs Computing kpt #: 309 total cpu time spent up to now is 296.1 secs Computing kpt #: 310 total cpu time spent up to now is 297.0 secs Computing kpt #: 311 total cpu time spent up to now is 297.8 secs Computing kpt #: 312 total cpu time spent up to now is 298.7 secs Computing kpt #: 313 total cpu time spent up to now is 299.6 secs Computing kpt #: 314 total cpu time spent up to now is 300.4 secs Computing kpt #: 315 total cpu time spent up to now is 301.3 secs Computing kpt #: 316 total cpu time spent up to now is 302.2 secs Computing kpt #: 317 total cpu time spent up to now is 303.1 secs Computing kpt #: 318 total cpu time spent up to now is 304.0 secs Computing kpt #: 319 total cpu time spent up to now is 304.9 secs Computing kpt #: 320 total cpu time spent up to now is 305.9 secs Computing kpt #: 321 total cpu time spent up to now is 306.9 secs Computing kpt #: 322 total cpu time spent up to now is 308.2 secs Computing kpt #: 323 total cpu time spent up to now is 309.3 secs Computing kpt #: 324 total cpu time spent up to now is 310.3 secs Computing kpt #: 325 total cpu time spent up to now is 311.3 secs Computing kpt #: 326 total cpu time spent up to now is 312.2 secs Computing kpt #: 327 total cpu time spent up to now is 313.1 secs Computing kpt #: 328 total cpu time spent up to now is 314.0 secs Computing kpt #: 329 total cpu time spent up to now is 314.9 secs Computing kpt #: 330 total cpu time spent up to now is 315.7 secs Computing kpt #: 331 total cpu time spent up to now is 316.5 secs Computing kpt #: 332 total cpu time spent up to now is 317.4 secs Computing kpt #: 333 total cpu time spent up to now is 318.2 secs Computing kpt #: 334 total cpu time spent up to now is 319.4 secs Computing kpt #: 335 total cpu time spent up to now is 320.2 secs Computing kpt #: 336 total cpu time spent up to now is 321.0 secs Computing kpt #: 337 total cpu time spent up to now is 321.8 secs Computing kpt #: 338 total cpu time spent up to now is 322.6 secs Computing kpt #: 339 total cpu time spent up to now is 323.4 secs Computing kpt #: 340 total cpu time spent up to now is 324.2 secs Computing kpt #: 341 total cpu time spent up to now is 325.0 secs Computing kpt #: 342 total cpu time spent up to now is 325.8 secs Computing kpt #: 343 total cpu time spent up to now is 326.6 secs Computing kpt #: 344 total cpu time spent up to now is 327.4 secs Computing kpt #: 345 total cpu time spent up to now is 328.1 secs Computing kpt #: 346 total cpu time spent up to now is 328.9 secs Computing kpt #: 347 total cpu time spent up to now is 329.7 secs Computing kpt #: 348 total cpu time spent up to now is 330.4 secs Computing kpt #: 349 total cpu time spent up to now is 331.2 secs Computing kpt #: 350 total cpu time spent up to now is 331.9 secs Computing kpt #: 351 total cpu time spent up to now is 332.7 secs Computing kpt #: 352 total cpu time spent up to now is 333.5 secs Computing kpt #: 353 total cpu time spent up to now is 334.2 secs Computing kpt #: 354 total cpu time spent up to now is 335.0 secs Computing kpt #: 355 total cpu time spent up to now is 335.7 secs Computing kpt #: 356 total cpu time spent up to now is 336.5 secs Computing kpt #: 357 total cpu time spent up to now is 337.3 secs Computing kpt #: 358 total cpu time spent up to now is 338.2 secs Computing kpt #: 359 total cpu time spent up to now is 339.2 secs Computing kpt #: 360 total cpu time spent up to now is 340.2 secs Computing kpt #: 361 total cpu time spent up to now is 341.3 secs Computing kpt #: 362 total cpu time spent up to now is 342.5 secs Computing kpt #: 363 total cpu time spent up to now is 343.8 secs Computing kpt #: 364 total cpu time spent up to now is 345.0 secs Computing kpt #: 365 total cpu time spent up to now is 346.2 secs Computing kpt #: 366 total cpu time spent up to now is 347.4 secs Computing kpt #: 367 total cpu time spent up to now is 348.4 secs Computing kpt #: 368 total cpu time spent up to now is 349.6 secs Computing kpt #: 369 total cpu time spent up to now is 350.8 secs Computing kpt #: 370 total cpu time spent up to now is 351.8 secs Computing kpt #: 371 total cpu time spent up to now is 352.9 secs Computing kpt #: 372 total cpu time spent up to now is 353.9 secs Computing kpt #: 373 total cpu time spent up to now is 355.1 secs Computing kpt #: 374 total cpu time spent up to now is 356.1 secs Computing kpt #: 375 total cpu time spent up to now is 357.2 secs Computing kpt #: 376 total cpu time spent up to now is 358.0 secs Computing kpt #: 377 total cpu time spent up to now is 358.7 secs Computing kpt #: 378 total cpu time spent up to now is 359.5 secs Computing kpt #: 379 total cpu time spent up to now is 360.3 secs Computing kpt #: 380 total cpu time spent up to now is 361.1 secs Computing kpt #: 381 total cpu time spent up to now is 362.0 secs Computing kpt #: 382 total cpu time spent up to now is 362.8 secs Computing kpt #: 383 total cpu time spent up to now is 363.6 secs Computing kpt #: 384 total cpu time spent up to now is 364.4 secs Computing kpt #: 385 total cpu time spent up to now is 365.2 secs Computing kpt #: 386 total cpu time spent up to now is 366.1 secs Computing kpt #: 387 total cpu time spent up to now is 366.9 secs Computing kpt #: 388 total cpu time spent up to now is 367.7 secs ethr = 2.38E-08, avg # of iterations = 25.1 total cpu time spent up to now is 367.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4869 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4297 -16.4297 -16.3755 -16.3755 -16.2487 -16.2487 -16.1981 -16.1981 -16.1857 -16.1857 -16.1390 -16.1390 -11.4947 -11.4947 -10.7360 -10.7360 -2.4043 -2.4043 -2.1277 -2.1277 -0.8574 -0.8574 -0.4670 -0.4670 0.0002 0.0002 0.0188 0.0188 3.2250 3.2250 4.5382 4.5382 4.6083 4.6083 5.1243 5.1243 5.2442 5.2442 7.3132 7.3132 10.8282 10.8282 12.4798 12.4798 14.3905 14.3905 k = 0.0000 0.0000 0.0222 ( 4861 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4297 -16.4297 -16.3756 -16.3756 -16.2487 -16.2487 -16.1982 -16.1982 -16.1856 -16.1856 -16.1390 -16.1390 -11.4944 -11.4944 -10.7358 -10.7358 -2.4041 -2.4041 -2.1275 -2.1275 -0.8575 -0.8575 -0.4671 -0.4671 -0.0001 -0.0001 0.0200 0.0200 3.2251 3.2251 4.5370 4.5370 4.6072 4.6072 5.1237 5.1237 5.2435 5.2435 7.3149 7.3149 10.8306 10.8306 12.4800 12.4800 14.3828 14.3828 k = 0.0000 0.0000 0.0444 ( 4845 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4297 -16.4297 -16.3756 -16.3756 -16.2486 -16.2486 -16.1984 -16.1984 -16.1854 -16.1854 -16.1391 -16.1391 -11.4937 -11.4937 -10.7353 -10.7353 -2.4035 -2.4035 -2.1269 -2.1269 -0.8576 -0.8576 -0.4671 -0.4671 -0.0009 -0.0009 0.0236 0.0236 3.2253 3.2253 4.5334 4.5334 4.6037 4.6037 5.1218 5.1218 5.2416 5.2416 7.3199 7.3199 10.8377 10.8377 12.4804 12.4804 14.3603 14.3603 k = 0.0000 0.0000 0.0666 ( 4841 PWs) bands (ev): -44.3370 -44.3370 -44.3232 -44.3232 -16.4297 -16.4297 -16.3759 -16.3759 -16.2486 -16.2486 -16.1989 -16.1989 -16.1852 -16.1852 -16.1393 -16.1393 -11.4924 -11.4924 -10.7344 -10.7344 -2.4026 -2.4026 -2.1260 -2.1260 -0.8578 -0.8578 -0.4673 -0.4673 -0.0024 -0.0024 0.0295 0.0295 3.2257 3.2257 4.5272 4.5272 4.5981 4.5981 5.1186 5.1186 5.2383 5.2383 7.3281 7.3281 10.8496 10.8496 12.4811 12.4811 14.3239 14.3239 k = 0.0000 0.0000 0.0888 ( 4841 PWs) bands (ev): -44.3370 -44.3370 -44.3232 -44.3232 -16.4297 -16.4297 -16.3762 -16.3762 -16.2487 -16.2487 -16.1996 -16.1996 -16.1849 -16.1849 -16.1397 -16.1397 -11.4907 -11.4907 -10.7332 -10.7332 -2.4012 -2.4012 -2.1248 -2.1248 -0.8581 -0.8581 -0.4674 -0.4674 -0.0044 -0.0044 0.0379 0.0379 3.2262 3.2262 4.5184 4.5184 4.5907 4.5907 5.1141 5.1141 5.2337 5.2337 7.3394 7.3394 10.8662 10.8662 12.4819 12.4819 14.2752 14.2752 k = 0.0000 0.0000 0.1110 ( 4835 PWs) bands (ev): -44.3369 -44.3369 -44.3232 -44.3232 -16.4297 -16.4297 -16.3766 -16.3766 -16.2486 -16.2486 -16.2004 -16.2004 -16.1846 -16.1846 -16.1401 -16.1401 -11.4885 -11.4885 -10.7316 -10.7316 -2.3995 -2.3995 -2.1232 -2.1232 -0.8585 -0.8585 -0.4676 -0.4676 -0.0070 -0.0070 0.0487 0.0487 3.2269 3.2269 4.5066 4.5066 4.5819 4.5819 5.1084 5.1084 5.2280 5.2280 7.3538 7.3538 10.8874 10.8874 12.4828 12.4828 14.2160 14.2160 k = 0.0000 0.0000 0.1332 ( 4833 PWs) bands (ev): -44.3369 -44.3369 -44.3232 -44.3232 -16.4297 -16.4297 -16.3771 -16.3771 -16.2487 -16.2487 -16.2013 -16.2013 -16.1843 -16.1843 -16.1407 -16.1407 -11.4858 -11.4858 -10.7297 -10.7297 -2.3975 -2.3975 -2.1212 -2.1212 -0.8589 -0.8589 -0.4679 -0.4679 -0.0102 -0.0102 0.0620 0.0620 3.2278 3.2278 4.4917 4.4917 4.5719 4.5719 5.1015 5.1015 5.2210 5.2210 7.3709 7.3709 10.9133 10.9133 12.4835 12.4835 14.1482 14.1482 k = 0.0000 0.0000 0.1555 ( 4837 PWs) bands (ev): -44.3368 -44.3368 -44.3232 -44.3232 -16.4297 -16.4297 -16.3778 -16.3778 -16.2487 -16.2487 -16.2024 -16.2024 -16.1840 -16.1840 -16.1414 -16.1414 -11.4827 -11.4827 -10.7275 -10.7275 -2.3951 -2.3951 -2.1190 -2.1190 -0.8595 -0.8595 -0.4681 -0.4681 -0.0140 -0.0140 0.0777 0.0777 3.2287 3.2287 4.4738 4.4738 4.5611 4.5611 5.0934 5.0934 5.2128 5.2128 7.3907 7.3907 10.9436 10.9436 12.4838 12.4838 14.0737 14.0737 k = 0.0000 0.0000 0.1777 ( 4838 PWs) bands (ev): -44.3367 -44.3367 -44.3233 -44.3233 -16.4297 -16.4297 -16.3784 -16.3784 -16.2487 -16.2487 -16.2035 -16.2035 -16.1837 -16.1837 -16.1422 -16.1422 -11.4791 -11.4791 -10.7250 -10.7250 -2.3924 -2.3924 -2.1164 -2.1164 -0.8601 -0.8601 -0.4684 -0.4684 -0.0183 -0.0183 0.0959 0.0959 3.2298 3.2298 4.4529 4.4529 4.5496 4.5496 5.0841 5.0841 5.2035 5.2035 7.4130 7.4130 10.9784 10.9784 12.4834 12.4834 13.9944 13.9944 k = 0.0000 0.0000 0.1999 ( 4842 PWs) bands (ev): -44.3366 -44.3366 -44.3233 -44.3233 -16.4297 -16.4297 -16.3792 -16.3792 -16.2488 -16.2488 -16.2048 -16.2048 -16.1834 -16.1834 -16.1430 -16.1430 -11.4751 -11.4751 -10.7221 -10.7221 -2.3894 -2.3894 -2.1135 -2.1135 -0.8607 -0.8607 -0.4687 -0.4687 -0.0231 -0.0231 0.1165 0.1165 3.2310 3.2310 4.4292 4.4292 4.5373 4.5373 5.0738 5.0738 5.1932 5.1932 7.4374 7.4374 11.0176 11.0176 12.4821 12.4821 13.9119 13.9119 k = 0.0000 0.0000 0.2221 ( 4840 PWs) bands (ev): -44.3364 -44.3364 -44.3233 -44.3233 -16.4298 -16.4298 -16.3800 -16.3800 -16.2488 -16.2488 -16.2060 -16.2060 -16.1832 -16.1832 -16.1439 -16.1439 -11.4707 -11.4707 -10.7190 -10.7190 -2.3861 -2.3861 -2.1104 -2.1104 -0.8614 -0.8614 -0.4690 -0.4690 -0.0285 -0.0285 0.1396 0.1396 3.2323 3.2323 4.4031 4.4031 4.5244 4.5244 5.0624 5.0624 5.1819 5.1819 7.4637 7.4637 11.0609 11.0609 12.4793 12.4793 13.8275 13.8275 k = 0.0000 0.0000 0.2443 ( 4846 PWs) bands (ev): -44.3363 -44.3363 -44.3233 -44.3233 -16.4298 -16.4298 -16.3809 -16.3809 -16.2489 -16.2489 -16.2074 -16.2074 -16.1830 -16.1830 -16.1449 -16.1449 -11.4659 -11.4659 -10.7157 -10.7157 -2.3826 -2.3826 -2.1070 -2.1070 -0.8622 -0.8622 -0.4692 -0.4692 -0.0343 -0.0343 0.1651 0.1651 3.2338 3.2338 4.3748 4.3748 4.5107 4.5107 5.0501 5.0501 5.1696 5.1696 7.4918 7.4918 11.1083 11.1083 12.4747 12.4747 13.7426 13.7426 k = 0.0000 0.0000 0.2665 ( 4854 PWs) bands (ev): -44.3362 -44.3362 -44.3234 -44.3234 -16.4298 -16.4298 -16.3820 -16.3820 -16.2489 -16.2489 -16.2088 -16.2088 -16.1828 -16.1828 -16.1460 -16.1460 -11.4608 -11.4608 -10.7121 -10.7121 -2.3789 -2.3789 -2.1034 -2.1034 -0.8630 -0.8630 -0.4694 -0.4694 -0.0405 -0.0405 0.1931 0.1931 3.2352 3.2352 4.3447 4.3447 4.4963 4.4963 5.0369 5.0369 5.1565 5.1565 7.5213 7.5213 11.1598 11.1598 12.4676 12.4676 13.6582 13.6582 k = 0.0000 0.0000 0.2887 ( 4854 PWs) bands (ev): -44.3360 -44.3360 -44.3234 -44.3234 -16.4299 -16.4299 -16.3830 -16.3830 -16.2490 -16.2490 -16.2103 -16.2103 -16.1827 -16.1827 -16.1470 -16.1470 -11.4553 -11.4553 -10.7083 -10.7083 -2.3750 -2.3750 -2.0996 -2.0996 -0.8639 -0.8639 -0.4696 -0.4696 -0.0472 -0.0472 0.2236 0.2236 3.2368 3.2368 4.3131 4.3131 4.4810 4.4810 5.0228 5.0228 5.1426 5.1426 7.5521 7.5521 11.2150 11.2150 12.4573 12.4573 13.5752 13.5752 k = 0.0000 0.0000 0.3109 ( 4852 PWs) bands (ev): -44.3358 -44.3358 -44.3234 -44.3234 -16.4299 -16.4299 -16.3840 -16.3840 -16.2490 -16.2490 -16.2118 -16.2118 -16.1827 -16.1827 -16.1482 -16.1482 -11.4495 -11.4495 -10.7042 -10.7042 -2.3709 -2.3709 -2.0956 -2.0956 -0.8647 -0.8647 -0.4697 -0.4697 -0.0542 -0.0542 0.2565 0.2565 3.2385 3.2385 4.2802 4.2802 4.4650 4.4650 5.0081 5.0081 5.1280 5.1280 7.5839 7.5839 11.2738 11.2738 12.4434 12.4434 13.4940 13.4940 k = 0.0000 0.0000 0.3331 ( 4856 PWs) bands (ev): -44.3357 -44.3357 -44.3234 -44.3234 -16.4299 -16.4299 -16.3852 -16.3852 -16.2491 -16.2491 -16.2134 -16.2134 -16.1827 -16.1827 -16.1493 -16.1493 -11.4434 -11.4434 -10.7000 -10.7000 -2.3667 -2.3667 -2.0914 -2.0914 -0.8656 -0.8656 -0.4698 -0.4698 -0.0616 -0.0616 0.2920 0.2920 3.2402 3.2402 4.2463 4.2463 4.4481 4.4481 4.9927 4.9927 5.1127 5.1127 7.6164 7.6164 11.3360 11.3360 12.4251 12.4251 13.4150 13.4150 k = 0.0000 0.0000 0.3553 ( 4852 PWs) bands (ev): -44.3355 -44.3355 -44.3235 -44.3235 -16.4299 -16.4299 -16.3863 -16.3863 -16.2492 -16.2492 -16.2149 -16.2149 -16.1827 -16.1827 -16.1505 -16.1505 -11.4370 -11.4370 -10.6956 -10.6956 -2.3624 -2.3624 -2.0872 -2.0872 -0.8664 -0.8664 -0.4698 -0.4698 -0.0692 -0.0692 0.3298 0.3298 3.2419 3.2419 4.2117 4.2117 4.4305 4.4305 4.9767 4.9767 5.0968 5.0968 7.6496 7.6496 11.4014 11.4014 12.4020 12.4020 13.3376 13.3376 k = 0.0000 0.0000 0.3775 ( 4850 PWs) bands (ev): -44.3353 -44.3353 -44.3235 -44.3235 -16.4299 -16.4299 -16.3875 -16.3875 -16.2492 -16.2492 -16.2165 -16.2165 -16.1828 -16.1828 -16.1517 -16.1517 -11.4305 -11.4305 -10.6911 -10.6911 -2.3581 -2.3581 -2.0829 -2.0829 -0.8672 -0.8672 -0.4697 -0.4697 -0.0771 -0.0771 0.3702 0.3702 3.2437 3.2437 4.1765 4.1765 4.4121 4.4121 4.9602 4.9602 5.0805 5.0805 7.6831 7.6831 11.4695 11.4695 12.3738 12.3738 13.2611 13.2611 k = 0.0000 0.0000 0.3997 ( 4850 PWs) bands (ev): -44.3351 -44.3351 -44.3235 -44.3235 -16.4299 -16.4299 -16.3887 -16.3887 -16.2493 -16.2493 -16.2181 -16.2181 -16.1829 -16.1829 -16.1529 -16.1529 -11.4237 -11.4237 -10.6865 -10.6865 -2.3537 -2.3537 -2.0785 -2.0785 -0.8680 -0.8680 -0.4696 -0.4696 -0.0851 -0.0851 0.4129 0.4129 3.2455 3.2455 4.1411 4.1411 4.3930 4.3930 4.9433 4.9433 5.0637 5.0637 7.7168 7.7168 11.5400 11.5400 12.3407 12.3407 13.1839 13.1839 k = 0.0000 0.0000 0.4219 ( 4864 PWs) bands (ev): -44.3349 -44.3349 -44.3236 -44.3236 -16.4299 -16.4299 -16.3900 -16.3900 -16.2495 -16.2495 -16.2198 -16.2198 -16.1832 -16.1832 -16.1542 -16.1542 -11.4168 -11.4168 -10.6818 -10.6818 -2.3492 -2.3492 -2.0741 -2.0741 -0.8687 -0.8687 -0.4694 -0.4694 -0.0932 -0.0932 0.4581 0.4581 3.2473 3.2473 4.1054 4.1054 4.3731 4.3731 4.9261 4.9261 5.0465 5.0465 7.7506 7.7506 11.6118 11.6118 12.3034 12.3034 13.1042 13.1042 k = 0.0000 0.0000 0.4441 ( 4864 PWs) bands (ev): -44.3347 -44.3347 -44.3236 -44.3236 -16.4299 -16.4299 -16.3912 -16.3912 -16.2496 -16.2496 -16.2214 -16.2214 -16.1835 -16.1835 -16.1554 -16.1554 -11.4097 -11.4097 -10.6770 -10.6770 -2.3448 -2.3448 -2.0697 -2.0697 -0.8694 -0.8694 -0.4692 -0.4692 -0.1013 -0.1013 0.5056 0.5056 3.2490 3.2490 4.0699 4.0699 4.3525 4.3525 4.9086 4.9086 5.0291 5.0291 7.7842 7.7842 11.6838 11.6838 12.2636 12.2636 13.0207 13.0207 k = 0.0000 0.0000 0.4664 ( 4864 PWs) bands (ev): -44.3344 -44.3344 -44.3237 -44.3237 -16.4299 -16.4299 -16.3925 -16.3925 -16.2498 -16.2498 -16.2230 -16.2230 -16.1838 -16.1838 -16.1566 -16.1566 -11.4025 -11.4025 -10.6721 -10.6721 -2.3404 -2.3404 -2.0653 -2.0653 -0.8699 -0.8699 -0.4690 -0.4690 -0.1093 -0.1093 0.5555 0.5555 3.2508 3.2508 4.0346 4.0346 4.3313 4.3313 4.8910 4.8910 5.0115 5.0115 7.8175 7.8175 11.7530 11.7530 12.2243 12.2243 12.9326 12.9326 k = 0.0000 0.0000 0.4886 ( 4862 PWs) bands (ev): -44.3342 -44.3342 -44.3237 -44.3237 -16.4298 -16.4298 -16.3937 -16.3937 -16.2499 -16.2499 -16.2246 -16.2246 -16.1842 -16.1842 -16.1578 -16.1578 -11.3952 -11.3952 -10.6673 -10.6673 -2.3361 -2.3361 -2.0611 -2.0611 -0.8704 -0.8704 -0.4688 -0.4688 -0.1172 -0.1172 0.6078 0.6078 3.2526 3.2526 3.9996 3.9996 4.3095 4.3095 4.8731 4.8731 4.9938 4.9938 7.8505 7.8505 11.8135 11.8135 12.1921 12.1921 12.8403 12.8403 k = 0.0000 0.0000 0.5108 ( 4866 PWs) bands (ev): -44.3339 -44.3339 -44.3237 -44.3237 -16.4298 -16.4298 -16.3950 -16.3950 -16.2501 -16.2501 -16.2262 -16.2262 -16.1847 -16.1847 -16.1590 -16.1590 -11.3878 -11.3878 -10.6624 -10.6624 -2.3319 -2.3319 -2.0569 -2.0569 -0.8708 -0.8708 -0.4688 -0.4688 -0.1247 -0.1247 0.6623 0.6623 3.2544 3.2544 3.9652 3.9652 4.2871 4.2871 4.8552 4.8552 4.9762 4.9762 7.8830 7.8830 11.8533 11.8533 12.1792 12.1792 12.7451 12.7451 k = 0.0000 0.0000 0.5330 ( 4862 PWs) bands (ev): -44.3337 -44.3337 -44.3238 -44.3238 -16.4297 -16.4297 -16.3962 -16.3962 -16.2503 -16.2503 -16.2277 -16.2277 -16.1851 -16.1851 -16.1601 -16.1601 -11.3805 -11.3805 -10.6576 -10.6576 -2.3277 -2.3277 -2.0530 -2.0530 -0.8711 -0.8711 -0.4689 -0.4689 -0.1318 -0.1318 0.7190 0.7190 3.2561 3.2561 3.9314 3.9314 4.2642 4.2642 4.8371 4.8371 4.9586 4.9586 7.9148 7.9148 11.8585 11.8585 12.1998 12.1998 12.6487 12.6487 k = 0.0000 0.0000 0.5552 ( 4872 PWs) bands (ev): -44.3334 -44.3334 -44.3238 -44.3238 -16.4297 -16.4297 -16.3974 -16.3974 -16.2506 -16.2506 -16.2293 -16.2293 -16.1857 -16.1857 -16.1612 -16.1612 -11.3731 -11.3731 -10.6528 -10.6528 -2.3237 -2.3237 -2.0491 -2.0491 -0.8712 -0.8712 -0.4692 -0.4692 -0.1383 -0.1383 0.7779 0.7779 3.2577 3.2577 3.8983 3.8983 4.2407 4.2407 4.8191 4.8191 4.9411 4.9411 7.9460 7.9460 11.8299 11.8299 12.2526 12.2526 12.5535 12.5535 k = 0.0000 0.0000 0.5774 ( 4872 PWs) bands (ev): -44.3332 -44.3332 -44.3239 -44.3239 -16.4296 -16.4296 -16.3986 -16.3986 -16.2509 -16.2509 -16.2307 -16.2307 -16.1863 -16.1863 -16.1623 -16.1623 -11.3657 -11.3657 -10.6480 -10.6480 -2.3198 -2.3198 -2.0455 -2.0455 -0.8712 -0.8712 -0.4699 -0.4699 -0.1441 -0.1441 0.8390 0.8390 3.2593 3.2593 3.8660 3.8660 4.2169 4.2169 4.8010 4.8010 4.9240 4.9240 7.9765 7.9765 11.7800 11.7800 12.3204 12.3204 12.4655 12.4655 k = 0.0000 0.0000 0.5996 ( 4876 PWs) bands (ev): -44.3329 -44.3329 -44.3239 -44.3239 -16.4295 -16.4295 -16.3998 -16.3998 -16.2512 -16.2512 -16.2320 -16.2320 -16.1870 -16.1870 -16.1633 -16.1633 -11.3584 -11.3584 -10.6434 -10.6434 -2.3161 -2.3161 -2.0421 -2.0421 -0.8711 -0.8711 -0.4709 -0.4709 -0.1490 -0.1490 0.9021 0.9021 3.2608 3.2608 3.8347 3.8347 4.1926 4.1926 4.7830 4.7830 4.9072 4.9072 8.0061 8.0061 11.7182 11.7182 12.3360 12.3360 12.4438 12.4438 k = 0.0000 0.0000 0.6218 ( 4874 PWs) bands (ev): -44.3326 -44.3326 -44.3240 -44.3240 -16.4293 -16.4293 -16.4009 -16.4009 -16.2516 -16.2516 -16.2333 -16.2333 -16.1876 -16.1876 -16.1643 -16.1643 -11.3512 -11.3512 -10.6388 -10.6388 -2.3125 -2.3125 -2.0390 -2.0390 -0.8708 -0.8708 -0.4725 -0.4725 -0.1530 -0.1530 0.9671 0.9671 3.2623 3.2623 3.8044 3.8044 4.1681 4.1681 4.7649 4.7649 4.8909 4.8909 8.0349 8.0349 11.6489 11.6489 12.2613 12.2613 12.5233 12.5233 k = 0.0000 0.0000 0.6440 ( 4866 PWs) bands (ev): -44.3323 -44.3323 -44.3240 -44.3240 -16.4291 -16.4291 -16.4020 -16.4020 -16.2520 -16.2520 -16.2345 -16.2345 -16.1883 -16.1883 -16.1653 -16.1653 -11.3441 -11.3441 -10.6344 -10.6344 -2.3091 -2.3091 -2.0362 -2.0362 -0.8703 -0.8703 -0.4748 -0.4748 -0.1557 -0.1557 1.0341 1.0341 3.2638 3.2638 3.7752 3.7752 4.1432 4.1432 4.7469 4.7469 4.8751 4.8751 8.0629 8.0629 11.5741 11.5741 12.1800 12.1800 12.6187 12.6187 k = 0.0000 0.0000 0.6662 ( 4854 PWs) bands (ev): -44.3321 -44.3321 -44.3241 -44.3241 -16.4289 -16.4289 -16.4030 -16.4030 -16.2525 -16.2525 -16.2356 -16.2356 -16.1890 -16.1890 -16.1663 -16.1663 -11.3371 -11.3371 -10.6301 -10.6301 -2.3059 -2.3059 -2.0336 -2.0336 -0.8698 -0.8698 -0.4777 -0.4777 -0.1572 -0.1572 1.1028 1.1028 3.2651 3.2651 3.7471 3.7471 4.1180 4.1180 4.7289 4.7289 4.8600 4.8600 8.0901 8.0901 11.4948 11.4948 12.1025 12.1025 12.7193 12.7193 k = 0.0000 0.0000 0.6884 ( 4854 PWs) bands (ev): -44.3318 -44.3318 -44.3241 -44.3241 -16.4287 -16.4287 -16.4040 -16.4040 -16.2530 -16.2530 -16.2366 -16.2366 -16.1897 -16.1897 -16.1673 -16.1673 -11.3302 -11.3302 -10.6259 -10.6259 -2.3029 -2.3029 -2.0314 -2.0314 -0.8690 -0.8690 -0.4813 -0.4813 -0.1573 -0.1573 1.1733 1.1733 3.2664 3.2664 3.7203 3.7203 4.0927 4.0927 4.7109 4.7109 4.8455 4.8455 8.1164 8.1164 11.4119 11.4119 12.0306 12.0306 12.8229 12.8229 k = 0.0000 0.0000 0.7106 ( 4860 PWs) bands (ev): -44.3315 -44.3315 -44.3242 -44.3242 -16.4285 -16.4285 -16.4050 -16.4050 -16.2536 -16.2536 -16.2375 -16.2375 -16.1905 -16.1905 -16.1682 -16.1682 -11.3235 -11.3235 -10.6219 -10.6219 -2.3001 -2.3001 -2.0295 -2.0295 -0.8682 -0.8682 -0.4858 -0.4858 -0.1559 -0.1559 1.2453 1.2453 3.2676 3.2676 3.6946 3.6946 4.0672 4.0672 4.6929 4.6929 4.8318 4.8318 8.1419 8.1419 11.3258 11.3258 11.9646 11.9646 12.9289 12.9289 k = 0.0000 0.0000 0.7328 ( 4864 PWs) bands (ev): -44.3312 -44.3312 -44.3242 -44.3242 -16.4282 -16.4282 -16.4060 -16.4060 -16.2543 -16.2543 -16.2383 -16.2383 -16.1912 -16.1912 -16.1691 -16.1691 -11.3170 -11.3170 -10.6181 -10.6181 -2.2974 -2.2974 -2.0279 -2.0279 -0.8672 -0.8672 -0.4911 -0.4911 -0.1529 -0.1529 1.3188 1.3188 3.2687 3.2687 3.6702 3.6702 4.0416 4.0416 4.6751 4.6751 4.8189 4.8189 8.1666 8.1666 11.2372 11.2372 11.9046 11.9046 13.0365 13.0365 k = 0.0000 0.0000 0.7550 ( 4868 PWs) bands (ev): -44.3309 -44.3309 -44.3243 -44.3243 -16.4280 -16.4280 -16.4068 -16.4068 -16.2550 -16.2550 -16.2390 -16.2390 -16.1920 -16.1920 -16.1700 -16.1700 -11.3106 -11.3106 -10.6145 -10.6145 -2.2950 -2.2950 -2.0266 -2.0266 -0.8661 -0.8661 -0.4972 -0.4972 -0.1484 -0.1484 1.3936 1.3936 3.2698 3.2698 3.6471 3.6471 4.0159 4.0159 4.6573 4.6573 4.8068 4.8068 8.1906 8.1906 11.1469 11.1469 11.8503 11.8503 13.1455 13.1455 k = 0.0000 0.0000 0.7773 ( 4866 PWs) bands (ev): -44.3307 -44.3307 -44.3244 -44.3244 -16.4277 -16.4277 -16.4076 -16.4076 -16.2558 -16.2558 -16.2396 -16.2396 -16.1928 -16.1928 -16.1709 -16.1709 -11.3045 -11.3045 -10.6111 -10.6111 -2.2927 -2.2927 -2.0257 -2.0257 -0.8648 -0.8648 -0.5040 -0.5040 -0.1424 -0.1424 1.4697 1.4697 3.2707 3.2707 3.6253 3.6253 3.9902 3.9902 4.6396 4.6396 4.7956 4.7956 8.2141 8.2141 11.0554 11.0554 11.8015 11.8015 13.2552 13.2552 k = 0.0000 0.0000 0.7995 ( 4858 PWs) bands (ev): -44.3304 -44.3304 -44.3244 -44.3244 -16.4274 -16.4274 -16.4084 -16.4084 -16.2565 -16.2565 -16.2401 -16.2401 -16.1935 -16.1935 -16.1717 -16.1717 -11.2986 -11.2986 -10.6078 -10.6078 -2.2907 -2.2907 -2.0252 -2.0252 -0.8634 -0.8634 -0.5116 -0.5116 -0.1350 -0.1350 1.5467 1.5467 3.2717 3.2717 3.6049 3.6049 3.9645 3.9645 4.6221 4.6221 4.7853 4.7853 8.2370 8.2370 10.9634 10.9634 11.7576 11.7576 13.3654 13.3654 k = 0.0000 0.0000 0.8217 ( 4850 PWs) bands (ev): -44.3301 -44.3301 -44.3244 -44.3244 -16.4270 -16.4270 -16.4091 -16.4091 -16.2573 -16.2573 -16.2406 -16.2406 -16.1942 -16.1942 -16.1726 -16.1726 -11.2929 -11.2929 -10.6048 -10.6048 -2.2888 -2.2888 -2.0249 -2.0249 -0.8619 -0.8619 -0.5197 -0.5197 -0.1262 -0.1262 1.6246 1.6246 3.2725 3.2725 3.5858 3.5858 3.9390 3.9390 4.6048 4.6048 4.7758 4.7758 8.2594 8.2594 10.8716 10.8716 11.7183 11.7183 13.4754 13.4754 k = 0.0000 0.0000 0.8439 ( 4842 PWs) bands (ev): -44.3298 -44.3298 -44.3245 -44.3245 -16.4266 -16.4266 -16.4097 -16.4097 -16.2580 -16.2580 -16.2410 -16.2410 -16.1948 -16.1948 -16.1734 -16.1734 -11.2874 -11.2874 -10.6020 -10.6020 -2.2871 -2.2871 -2.0250 -2.0250 -0.8604 -0.8604 -0.5284 -0.5284 -0.1160 -0.1160 1.7033 1.7033 3.2733 3.2733 3.5681 3.5681 3.9136 3.9136 4.5877 4.5877 4.7672 4.7672 8.2815 8.2815 10.7804 10.7804 11.6832 11.6832 13.5845 13.5845 k = 0.0000 0.0000 0.8661 ( 4838 PWs) bands (ev): -44.3295 -44.3295 -44.3245 -44.3245 -16.4262 -16.4262 -16.4103 -16.4103 -16.2588 -16.2588 -16.2413 -16.2413 -16.1954 -16.1954 -16.1743 -16.1743 -11.2822 -11.2822 -10.5993 -10.5993 -2.2856 -2.2856 -2.0255 -2.0255 -0.8587 -0.8587 -0.5375 -0.5375 -0.1047 -0.1047 1.7824 1.7824 3.2740 3.2740 3.5516 3.5516 3.8884 3.8884 4.5708 4.5708 4.7595 4.7595 8.3034 8.3034 10.6904 10.6904 11.6518 11.6518 13.6909 13.6909 k = 0.0000 0.0000 0.8883 ( 4836 PWs) bands (ev): -44.3293 -44.3293 -44.3246 -44.3246 -16.4258 -16.4258 -16.4109 -16.4109 -16.2595 -16.2595 -16.2417 -16.2417 -16.1960 -16.1960 -16.1751 -16.1751 -11.2772 -11.2772 -10.5969 -10.5969 -2.2843 -2.2843 -2.0262 -2.0262 -0.8570 -0.8570 -0.5470 -0.5470 -0.0923 -0.0923 1.8618 1.8618 3.2747 3.2747 3.5365 3.5365 3.8635 3.8635 4.5543 4.5543 4.7525 4.7525 8.3251 8.3251 10.6019 10.6019 11.6239 11.6239 13.7764 13.7764 k = 0.0000 0.0000 0.9105 ( 4836 PWs) bands (ev): -44.3290 -44.3290 -44.3246 -44.3246 -16.4253 -16.4253 -16.4114 -16.4114 -16.2602 -16.2602 -16.2420 -16.2420 -16.1966 -16.1966 -16.1759 -16.1759 -11.2725 -11.2725 -10.5947 -10.5947 -2.2831 -2.2831 -2.0272 -2.0272 -0.8552 -0.8552 -0.5566 -0.5566 -0.0790 -0.0790 1.9413 1.9413 3.2753 3.2753 3.5227 3.5227 3.8389 3.8389 4.5382 4.5382 4.7464 4.7464 8.3469 8.3469 10.5153 10.5153 11.5990 11.5990 13.8016 13.8016 k = 0.0000 0.0000 0.9327 ( 4832 PWs) bands (ev): -44.3288 -44.3288 -44.3246 -44.3246 -16.4249 -16.4249 -16.4119 -16.4119 -16.2609 -16.2609 -16.2423 -16.2423 -16.1971 -16.1971 -16.1767 -16.1767 -11.2680 -11.2680 -10.5927 -10.5927 -2.2821 -2.2821 -2.0284 -2.0284 -0.8533 -0.8533 -0.5665 -0.5665 -0.0648 -0.0648 2.0206 2.0206 3.2758 3.2758 3.5102 3.5102 3.8146 3.8146 4.5224 4.5224 4.7410 4.7410 8.3687 8.3687 10.4309 10.4309 11.5768 11.5768 13.8119 13.8119 k = 0.0000 0.0000 0.9549 ( 4840 PWs) bands (ev): -44.3285 -44.3285 -44.3247 -44.3247 -16.4245 -16.4245 -16.4123 -16.4123 -16.2615 -16.2615 -16.2427 -16.2427 -16.1977 -16.1977 -16.1776 -16.1776 -11.2638 -11.2638 -10.5909 -10.5909 -2.2812 -2.2812 -2.0299 -2.0299 -0.8514 -0.8514 -0.5764 -0.5764 -0.0498 -0.0498 2.0994 2.0994 3.2764 3.2764 3.4989 3.4989 3.7908 3.7908 4.5071 4.5071 4.7364 4.7364 8.3908 8.3908 10.3491 10.3491 11.5570 11.5570 13.8143 13.8143 k = 0.0000 0.0000 0.9771 ( 4840 PWs) bands (ev): -44.3283 -44.3283 -44.3247 -44.3247 -16.4240 -16.4240 -16.4126 -16.4126 -16.2621 -16.2621 -16.2430 -16.2430 -16.1981 -16.1981 -16.1784 -16.1784 -11.2598 -11.2598 -10.5893 -10.5893 -2.2805 -2.2805 -2.0316 -2.0316 -0.8495 -0.8495 -0.5863 -0.5863 -0.0343 -0.0343 2.1776 2.1776 3.2769 3.2769 3.4888 3.4888 3.7675 3.7675 4.4923 4.4923 4.7324 4.7324 8.4132 8.4132 10.2702 10.2702 11.5393 11.5393 13.8072 13.8072 k = 0.0000 0.0000 0.9993 ( 4840 PWs) bands (ev): -44.3280 -44.3280 -44.3248 -44.3248 -16.4236 -16.4236 -16.4129 -16.4129 -16.2626 -16.2626 -16.2434 -16.2434 -16.1985 -16.1985 -16.1791 -16.1791 -11.2561 -11.2561 -10.5879 -10.5879 -2.2799 -2.2799 -2.0335 -2.0335 -0.8476 -0.8476 -0.5961 -0.5961 -0.0183 -0.0183 2.2547 2.2547 3.2775 3.2775 3.4800 3.4800 3.7448 3.7448 4.4779 4.4779 4.7290 4.7290 8.4361 8.4361 10.1944 10.1944 11.5233 11.5233 13.7885 13.7885 k = 0.0000 0.0000 1.0215 ( 4830 PWs) bands (ev): -44.3278 -44.3278 -44.3248 -44.3248 -16.4231 -16.4231 -16.4131 -16.4131 -16.2630 -16.2630 -16.2437 -16.2437 -16.1988 -16.1988 -16.1799 -16.1799 -11.2526 -11.2526 -10.5866 -10.5866 -2.2793 -2.2793 -2.0356 -2.0356 -0.8457 -0.8457 -0.6057 -0.6057 -0.0020 -0.0020 2.3305 2.3305 3.2782 3.2782 3.4724 3.4724 3.7226 3.7226 4.4642 4.4642 4.7263 4.7263 8.4594 8.4594 10.1221 10.1221 11.5089 11.5089 13.7555 13.7555 k = 0.0000 0.0000 1.0437 ( 4822 PWs) bands (ev): -44.3276 -44.3276 -44.3249 -44.3249 -16.4226 -16.4226 -16.4133 -16.4133 -16.2634 -16.2634 -16.2441 -16.2441 -16.1990 -16.1990 -16.1807 -16.1807 -11.2494 -11.2494 -10.5855 -10.5855 -2.2789 -2.2789 -2.0378 -2.0378 -0.8438 -0.8438 -0.6152 -0.6152 0.0146 0.0146 2.4046 2.4046 3.2789 3.2789 3.4659 3.4659 3.7012 3.7012 4.4510 4.4510 4.7241 4.7241 8.4831 8.4831 10.0534 10.0534 11.4956 11.4956 13.7059 13.7059 k = 0.0000 0.0000 1.0659 ( 4826 PWs) bands (ev): -44.3274 -44.3274 -44.3249 -44.3249 -16.4221 -16.4221 -16.4135 -16.4135 -16.2637 -16.2637 -16.2446 -16.2446 -16.1993 -16.1993 -16.1814 -16.1814 -11.2464 -11.2464 -10.5846 -10.5846 -2.2786 -2.2786 -2.0401 -2.0401 -0.8420 -0.8420 -0.6244 -0.6244 0.0312 0.0312 2.4767 2.4767 3.2797 3.2797 3.4605 3.4605 3.6805 3.6805 4.4385 4.4385 4.7224 4.7224 8.5074 8.5074 9.9887 9.9887 11.4830 11.4830 13.6386 13.6386 k = 0.0000 0.0000 1.0882 ( 4824 PWs) bands (ev): -44.3271 -44.3271 -44.3249 -44.3249 -16.4217 -16.4217 -16.4136 -16.4136 -16.2639 -16.2639 -16.2450 -16.2450 -16.1994 -16.1994 -16.1822 -16.1822 -11.2436 -11.2436 -10.5838 -10.5838 -2.2784 -2.2784 -2.0425 -2.0425 -0.8401 -0.8401 -0.6334 -0.6334 0.0479 0.0479 2.5463 2.5463 3.2807 3.2807 3.4563 3.4563 3.6607 3.6607 4.4266 4.4266 4.7212 4.7212 8.5321 8.5321 9.9282 9.9282 11.4710 11.4710 13.5541 13.5541 k = 0.0000 0.0000 1.1104 ( 4820 PWs) bands (ev): -44.3270 -44.3270 -44.3250 -44.3250 -16.4212 -16.4212 -16.4138 -16.4138 -16.2641 -16.2641 -16.2455 -16.2455 -16.1995 -16.1995 -16.1829 -16.1829 -11.2410 -11.2410 -10.5832 -10.5832 -2.2783 -2.2783 -2.0450 -2.0450 -0.8383 -0.8383 -0.6419 -0.6419 0.0645 0.0645 2.6131 2.6131 3.2818 3.2818 3.4533 3.4533 3.6417 3.6417 4.4154 4.4154 4.7205 4.7205 8.5572 8.5572 9.8724 9.8724 11.4591 11.4591 13.4547 13.4547 k = 0.0000 0.0000 1.1326 ( 4818 PWs) bands (ev): -44.3268 -44.3268 -44.3250 -44.3250 -16.4207 -16.4207 -16.4139 -16.4139 -16.2642 -16.2642 -16.2461 -16.2461 -16.1995 -16.1995 -16.1837 -16.1837 -11.2387 -11.2387 -10.5826 -10.5826 -2.2782 -2.2782 -2.0475 -2.0475 -0.8366 -0.8366 -0.6501 -0.6501 0.0807 0.0807 2.6766 2.6766 3.2833 3.2833 3.4513 3.4513 3.6237 3.6237 4.4049 4.4049 4.7201 4.7201 8.5824 8.5824 9.8214 9.8214 11.4470 11.4470 13.3439 13.3439 k = 0.0000 0.0000 1.1548 ( 4818 PWs) bands (ev): -44.3266 -44.3266 -44.3250 -44.3250 -16.4203 -16.4203 -16.4140 -16.4140 -16.2642 -16.2642 -16.2467 -16.2467 -16.1994 -16.1994 -16.1844 -16.1844 -11.2365 -11.2365 -10.5822 -10.5822 -2.2781 -2.2781 -2.0499 -2.0499 -0.8349 -0.8349 -0.6579 -0.6579 0.0967 0.0967 2.7364 2.7364 3.2851 3.2851 3.4506 3.4506 3.6066 3.6066 4.3950 4.3950 4.7200 4.7200 8.6075 8.6075 9.7758 9.7758 11.4341 11.4341 13.2256 13.2256 k = 0.0000 0.0000 1.1770 ( 4812 PWs) bands (ev): -44.3264 -44.3264 -44.3251 -44.3251 -16.4198 -16.4198 -16.4140 -16.4140 -16.2641 -16.2641 -16.2473 -16.2473 -16.1993 -16.1993 -16.1851 -16.1851 -11.2346 -11.2346 -10.5819 -10.5819 -2.2782 -2.2782 -2.0524 -2.0524 -0.8334 -0.8334 -0.6653 -0.6653 0.1121 0.1121 2.7921 2.7921 3.2872 3.2872 3.4511 3.4511 3.5907 3.5907 4.3860 4.3860 4.7202 4.7202 8.6323 8.6323 9.7357 9.7357 11.4202 11.4202 13.1037 13.1037 k = 0.0000 0.0000 1.1992 ( 4814 PWs) bands (ev): -44.3263 -44.3263 -44.3251 -44.3251 -16.4194 -16.4194 -16.4141 -16.4141 -16.2640 -16.2640 -16.2480 -16.2480 -16.1991 -16.1991 -16.1859 -16.1859 -11.2328 -11.2328 -10.5816 -10.5816 -2.2782 -2.2782 -2.0548 -2.0548 -0.8319 -0.8319 -0.6722 -0.6722 0.1269 0.1269 2.8431 2.8431 3.2898 3.2898 3.4527 3.4527 3.5759 3.5759 4.3776 4.3776 4.7206 4.7206 8.6563 8.6563 9.7015 9.7015 11.4048 11.4048 12.9816 12.9816 k = 0.0000 0.0000 1.2214 ( 4814 PWs) bands (ev): -44.3261 -44.3261 -44.3251 -44.3251 -16.4190 -16.4190 -16.4142 -16.4142 -16.2638 -16.2638 -16.2487 -16.2487 -16.1989 -16.1989 -16.1866 -16.1866 -11.2312 -11.2312 -10.5815 -10.5815 -2.2783 -2.2783 -2.0570 -2.0570 -0.8304 -0.8304 -0.6786 -0.6786 0.1411 0.1411 2.8891 2.8891 3.2928 3.2928 3.4557 3.4557 3.5622 3.5622 4.3700 4.3700 4.7212 4.7212 8.6792 8.6792 9.6736 9.6736 11.3874 11.3874 12.8624 12.8624 k = 0.0000 0.0000 1.2436 ( 4818 PWs) bands (ev): -44.3260 -44.3260 -44.3252 -44.3252 -16.4186 -16.4186 -16.4142 -16.4142 -16.2635 -16.2635 -16.2495 -16.2495 -16.1986 -16.1986 -16.1873 -16.1873 -11.2298 -11.2298 -10.5814 -10.5814 -2.2784 -2.2784 -2.0592 -2.0592 -0.8291 -0.8291 -0.6846 -0.6846 0.1544 0.1544 2.9298 2.9298 3.2962 3.2962 3.4600 3.4600 3.5498 3.5498 4.3632 4.3632 4.7220 4.7220 8.7004 8.7004 9.6522 9.6522 11.3677 11.3677 12.7486 12.7486 k = 0.0000 0.0000 1.2658 ( 4822 PWs) bands (ev): -44.3259 -44.3259 -44.3252 -44.3252 -16.4182 -16.4182 -16.4143 -16.4143 -16.2632 -16.2632 -16.2502 -16.2502 -16.1984 -16.1984 -16.1881 -16.1881 -11.2286 -11.2286 -10.5813 -10.5813 -2.2785 -2.2785 -2.0613 -2.0613 -0.8279 -0.8279 -0.6900 -0.6900 0.1667 0.1667 2.9651 2.9651 3.3000 3.3000 3.4655 3.4655 3.5386 3.5386 4.3571 4.3571 4.7228 4.7228 8.7196 8.7196 9.6372 9.6372 11.3453 11.3453 12.6423 12.6423 k = 0.0000 0.0000 1.2880 ( 4822 PWs) bands (ev): -44.3258 -44.3258 -44.3252 -44.3252 -16.4178 -16.4178 -16.4144 -16.4144 -16.2628 -16.2628 -16.2510 -16.2510 -16.1980 -16.1980 -16.1887 -16.1887 -11.2275 -11.2275 -10.5813 -10.5813 -2.2786 -2.2786 -2.0632 -2.0632 -0.8269 -0.8269 -0.6948 -0.6948 0.1781 0.1781 2.9948 2.9948 3.3039 3.3039 3.4721 3.4721 3.5288 3.5288 4.3517 4.3517 4.7237 4.7237 8.7365 8.7365 9.6285 9.6285 11.3203 11.3203 12.5454 12.5454 k = 0.0000 0.0000 1.3102 ( 4826 PWs) bands (ev): -44.3257 -44.3257 -44.3252 -44.3252 -16.4175 -16.4175 -16.4144 -16.4144 -16.2623 -16.2623 -16.2519 -16.2519 -16.1976 -16.1976 -16.1895 -16.1895 -11.2265 -11.2265 -10.5813 -10.5813 -2.2787 -2.2787 -2.0649 -2.0649 -0.8259 -0.8259 -0.6991 -0.6991 0.1884 0.1884 3.0194 3.0194 3.3079 3.3079 3.4793 3.4793 3.5205 3.5205 4.3471 4.3471 4.7246 4.7246 8.7507 8.7507 9.6255 9.6255 11.2928 11.2928 12.4592 12.4592 k = 0.0000 0.0000 1.3324 ( 4830 PWs) bands (ev): -44.3256 -44.3256 -44.3253 -44.3253 -16.4172 -16.4172 -16.4145 -16.4145 -16.2618 -16.2618 -16.2527 -16.2527 -16.1972 -16.1972 -16.1902 -16.1902 -11.2257 -11.2257 -10.5813 -10.5813 -2.2788 -2.2788 -2.0664 -2.0664 -0.8250 -0.8250 -0.7029 -0.7029 0.1974 0.1974 3.0391 3.0391 3.3116 3.3116 3.4865 3.4865 3.5140 3.5140 4.3431 4.3431 4.7255 4.7255 8.7624 8.7624 9.6275 9.6275 11.2637 11.2637 12.3848 12.3848 k = 0.0000 0.0000 1.3546 ( 4826 PWs) bands (ev): -44.3255 -44.3255 -44.3253 -44.3253 -16.4168 -16.4168 -16.4146 -16.4146 -16.2612 -16.2612 -16.2535 -16.2535 -16.1967 -16.1967 -16.1908 -16.1908 -11.2251 -11.2251 -10.5813 -10.5813 -2.2789 -2.2789 -2.0677 -2.0677 -0.8243 -0.8243 -0.7061 -0.7061 0.2053 0.2053 3.0546 3.0546 3.3150 3.3150 3.4918 3.4918 3.5105 3.5105 4.3399 4.3399 4.7263 4.7263 8.7715 8.7715 9.6333 9.6333 11.2340 11.2340 12.3225 12.3225 k = 0.0000 0.0000 1.3768 ( 4830 PWs) bands (ev): -44.3255 -44.3255 -44.3253 -44.3253 -16.4166 -16.4166 -16.4147 -16.4147 -16.2606 -16.2606 -16.2544 -16.2544 -16.1963 -16.1963 -16.1915 -16.1915 -11.2245 -11.2245 -10.5814 -10.5814 -2.2790 -2.2790 -2.0688 -2.0688 -0.8237 -0.8237 -0.7087 -0.7087 0.2117 0.2117 3.0663 3.0663 3.3179 3.3179 3.4931 3.4931 3.5117 3.5117 4.3372 4.3372 4.7270 4.7270 8.7784 8.7784 9.6414 9.6414 11.2055 11.2055 12.2724 12.2724 k = 0.0000 0.0000 1.3991 ( 4824 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4163 -16.4163 -16.4148 -16.4148 -16.2599 -16.2599 -16.2552 -16.2552 -16.1957 -16.1957 -16.1921 -16.1921 -11.2241 -11.2241 -10.5814 -10.5814 -2.2791 -2.2791 -2.0697 -2.0697 -0.8233 -0.8233 -0.7107 -0.7107 0.2168 0.2168 3.0748 3.0748 3.3202 3.3202 3.4914 3.4914 3.5160 3.5160 4.3352 4.3352 4.7276 4.7276 8.7833 8.7833 9.6501 9.6501 11.1802 11.1802 12.2342 12.2342 k = 0.0000 0.0000 1.4213 ( 4824 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4160 -16.4160 -16.4150 -16.4150 -16.2592 -16.2592 -16.2560 -16.2560 -16.1952 -16.1952 -16.1928 -16.1928 -11.2238 -11.2238 -10.5814 -10.5814 -2.2791 -2.2791 -2.0703 -2.0703 -0.8229 -0.8229 -0.7122 -0.7122 0.2205 0.2205 3.0805 3.0805 3.3218 3.3218 3.4895 3.4895 3.5202 3.5202 4.3338 4.3338 4.7280 4.7280 8.7865 8.7865 9.6577 9.6577 11.1603 11.1603 12.2074 12.2074 k = 0.0000 0.0000 1.4435 ( 4824 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4159 -16.4159 -16.4151 -16.4151 -16.2585 -16.2585 -16.2568 -16.2568 -16.1946 -16.1946 -16.1934 -16.1934 -11.2236 -11.2236 -10.5815 -10.5815 -2.2792 -2.2792 -2.0707 -2.0707 -0.8227 -0.8227 -0.7131 -0.7131 0.2227 0.2227 3.0838 3.0838 3.3228 3.3228 3.4881 3.4881 3.5231 3.5231 4.3330 4.3330 4.7283 4.7283 8.7883 8.7883 9.6630 9.6630 11.1475 11.1475 12.1916 12.1916 k = 0.0000 0.0000 1.4657 ( 4832 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4158 -16.4158 -16.4151 -16.4151 -16.2580 -16.2580 -16.2573 -16.2573 -16.1941 -16.1941 -16.1939 -16.1939 -11.2236 -11.2236 -10.5815 -10.5815 -2.2792 -2.2792 -2.0708 -2.0708 -0.8227 -0.8227 -0.7134 -0.7134 0.2235 0.2235 3.0849 3.0849 3.3231 3.3231 3.4876 3.4876 3.5241 3.5241 4.3327 4.3327 4.7283 4.7283 8.7889 8.7889 9.6648 9.6648 11.1431 11.1431 12.1864 12.1864 k = 0.0000 0.0000 1.4657 ( 4832 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4158 -16.4158 -16.4151 -16.4151 -16.2580 -16.2580 -16.2573 -16.2573 -16.1941 -16.1941 -16.1939 -16.1939 -11.2236 -11.2236 -10.5815 -10.5815 -2.2792 -2.2792 -2.0708 -2.0708 -0.8227 -0.8227 -0.7134 -0.7134 0.2235 0.2235 3.0849 3.0849 3.3231 3.3231 3.4876 3.4876 3.5241 3.5241 4.3327 4.3327 4.7283 4.7284 8.7889 8.7889 9.6648 9.6648 11.1431 11.1431 12.1864 12.1864 k =-0.0066 0.0181 1.4657 ( 4828 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4159 -16.4159 -16.4151 -16.4151 -16.2584 -16.2584 -16.2569 -16.2569 -16.1945 -16.1945 -16.1935 -16.1935 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0707 -2.0707 -0.8226 -0.8226 -0.7132 -0.7132 0.2229 0.2229 3.0849 3.0849 3.3224 3.3224 3.4700 3.4700 3.5408 3.5408 4.3328 4.3328 4.7286 4.7286 8.7891 8.7891 9.6621 9.6621 11.1456 11.1456 12.1929 12.1929 k =-0.0132 0.0363 1.4657 ( 4820 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4159 -16.4159 -16.4151 -16.4151 -16.2590 -16.2590 -16.2562 -16.2562 -16.1950 -16.1950 -16.1929 -16.1929 -11.2236 -11.2236 -10.5817 -10.5817 -2.2790 -2.2790 -2.0704 -2.0704 -0.8225 -0.8225 -0.7125 -0.7125 0.2212 0.2212 3.0848 3.0848 3.3201 3.3201 3.4410 3.4410 3.5671 3.5671 4.3333 4.3333 4.7292 4.7292 8.7897 8.7897 9.6542 9.6542 11.1530 11.1530 12.2123 12.2123 k =-0.0198 0.0544 1.4657 ( 4820 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4160 -16.4160 -16.4150 -16.4150 -16.2596 -16.2596 -16.2555 -16.2555 -16.1955 -16.1955 -16.1924 -16.1924 -11.2236 -11.2236 -10.5819 -10.5819 -2.2788 -2.2788 -2.0700 -2.0700 -0.8223 -0.8223 -0.7114 -0.7114 0.2184 0.2184 3.0845 3.0845 3.3156 3.3156 3.4110 3.4110 3.5935 3.5935 4.3341 4.3341 4.7302 4.7302 8.7906 8.7906 9.6418 9.6418 11.1649 11.1649 12.2446 12.2446 k =-0.0263 0.0726 1.4657 ( 4812 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4162 -16.4162 -16.4149 -16.4149 -16.2602 -16.2602 -16.2548 -16.2548 -16.1959 -16.1959 -16.1918 -16.1918 -11.2235 -11.2235 -10.5823 -10.5823 -2.2785 -2.2785 -2.0693 -2.0693 -0.8221 -0.8221 -0.7098 -0.7098 0.2145 0.2145 3.0835 3.0835 3.3074 3.3074 3.3832 3.3832 3.6190 3.6190 4.3352 4.3352 4.7317 4.7317 8.7914 8.7914 9.6261 9.6261 11.1803 11.1803 12.2896 12.2896 k =-0.0329 0.0907 1.4657 ( 4812 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4163 -16.4163 -16.4149 -16.4149 -16.2607 -16.2607 -16.2540 -16.2540 -16.1964 -16.1964 -16.1912 -16.1912 -11.2235 -11.2235 -10.5828 -10.5828 -2.2782 -2.2782 -2.0685 -2.0685 -0.8217 -0.8217 -0.7078 -0.7078 0.2096 0.2096 3.0811 3.0811 3.2930 3.2930 3.3609 3.3609 3.6432 3.6432 4.3367 4.3367 4.7335 4.7335 8.7918 8.7918 9.6085 9.6085 11.1985 11.1985 12.3471 12.3471 k =-0.0329 0.0907 1.4657 ( 4812 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4163 -16.4163 -16.4149 -16.4149 -16.2607 -16.2607 -16.2540 -16.2540 -16.1964 -16.1964 -16.1912 -16.1912 -11.2235 -11.2235 -10.5828 -10.5828 -2.2782 -2.2782 -2.0685 -2.0685 -0.8217 -0.8217 -0.7078 -0.7078 0.2096 0.2096 3.0811 3.0811 3.2930 3.2930 3.3609 3.3609 3.6432 3.6432 4.3367 4.3367 4.7335 4.7335 8.7918 8.7918 9.6085 9.6085 11.1985 11.1985 12.3471 12.3471 k =-0.0384 0.1057 1.4498 ( 4814 PWs) bands (ev): -44.3255 -44.3255 -44.3253 -44.3253 -16.4165 -16.4165 -16.4148 -16.4148 -16.2612 -16.2612 -16.2534 -16.2534 -16.1968 -16.1968 -16.1907 -16.1907 -11.2235 -11.2235 -10.5832 -10.5832 -2.2778 -2.2778 -2.0676 -2.0676 -0.8215 -0.8215 -0.7057 -0.7057 0.2044 0.2044 3.0768 3.0768 3.2754 3.2754 3.3484 3.3484 3.6620 3.6620 4.3382 4.3382 4.7353 4.7353 8.7908 8.7908 9.5928 9.5928 11.2181 11.2181 12.4056 12.4056 k =-0.0438 0.1207 1.4338 ( 4816 PWs) bands (ev): -44.3255 -44.3255 -44.3253 -44.3253 -16.4168 -16.4168 -16.4148 -16.4148 -16.2617 -16.2617 -16.2527 -16.2527 -16.1972 -16.1972 -16.1902 -16.1902 -11.2236 -11.2236 -10.5838 -10.5838 -2.2774 -2.2774 -2.0665 -2.0665 -0.8212 -0.8212 -0.7029 -0.7029 0.1977 0.1977 3.0692 3.0692 3.2542 3.2542 3.3400 3.3400 3.6799 3.6799 4.3402 4.3402 4.7375 4.7375 8.7865 8.7865 9.5768 9.5768 11.2453 11.2453 12.4758 12.4758 k =-0.0492 0.1356 1.4179 ( 4824 PWs) bands (ev): -44.3256 -44.3256 -44.3253 -44.3253 -16.4171 -16.4171 -16.4148 -16.4148 -16.2622 -16.2622 -16.2520 -16.2520 -16.1976 -16.1976 -16.1896 -16.1896 -11.2237 -11.2237 -10.5844 -10.5844 -2.2770 -2.2770 -2.0652 -2.0652 -0.8211 -0.8211 -0.6995 -0.6995 0.1897 0.1897 3.0572 3.0572 3.2322 3.2322 3.3339 3.3339 3.6970 3.6970 4.3426 4.3426 4.7399 4.7399 8.7779 8.7779 9.5620 9.5620 11.2805 11.2805 12.5565 12.5565 k =-0.0547 0.1506 1.4020 ( 4830 PWs) bands (ev): -44.3256 -44.3256 -44.3253 -44.3253 -16.4174 -16.4174 -16.4148 -16.4148 -16.2627 -16.2627 -16.2512 -16.2512 -16.1980 -16.1980 -16.1890 -16.1890 -11.2239 -11.2239 -10.5850 -10.5850 -2.2765 -2.2765 -2.0637 -2.0637 -0.8210 -0.8210 -0.6955 -0.6955 0.1803 0.1803 3.0402 3.0402 3.2115 3.2115 3.3289 3.3289 3.7137 3.7137 4.3452 4.3452 4.7429 4.7429 8.7636 8.7636 9.5496 9.5496 11.3242 11.3242 12.6467 12.6467 k =-0.0601 0.1656 1.3861 ( 4828 PWs) bands (ev): -44.3257 -44.3257 -44.3253 -44.3253 -16.4177 -16.4177 -16.4148 -16.4148 -16.2632 -16.2632 -16.2504 -16.2504 -16.1983 -16.1983 -16.1884 -16.1884 -11.2242 -11.2242 -10.5858 -10.5858 -2.2760 -2.2760 -2.0620 -2.0620 -0.8210 -0.8210 -0.6909 -0.6909 0.1696 0.1696 3.0176 3.0176 3.1934 3.1934 3.3244 3.3244 3.7302 3.7302 4.3482 4.3482 4.7463 4.7463 8.7426 8.7426 9.5408 9.5408 11.3767 11.3767 12.7456 12.7456 k =-0.0655 0.1805 1.3701 ( 4826 PWs) bands (ev): -44.3258 -44.3258 -44.3254 -44.3254 -16.4180 -16.4180 -16.4149 -16.4149 -16.2636 -16.2636 -16.2496 -16.2496 -16.1986 -16.1986 -16.1877 -16.1877 -11.2245 -11.2245 -10.5865 -10.5865 -2.2754 -2.2754 -2.0602 -2.0602 -0.8211 -0.8211 -0.6856 -0.6856 0.1577 0.1577 2.9898 2.9898 3.1780 3.1780 3.3198 3.3198 3.7466 3.7466 4.3513 4.3513 4.7504 4.7504 8.7147 8.7147 9.5361 9.5361 11.4384 11.4384 12.8523 12.8523 k =-0.0709 0.1955 1.3542 ( 4830 PWs) bands (ev): -44.3258 -44.3258 -44.3254 -44.3254 -16.4184 -16.4184 -16.4150 -16.4150 -16.2639 -16.2639 -16.2488 -16.2488 -16.1989 -16.1989 -16.1870 -16.1870 -11.2248 -11.2248 -10.5873 -10.5873 -2.2749 -2.2749 -2.0583 -2.0583 -0.8213 -0.8213 -0.6797 -0.6797 0.1447 0.1447 2.9577 2.9577 3.1649 3.1649 3.3151 3.3151 3.7634 3.7634 4.3545 4.3545 4.7552 4.7552 8.6797 8.6797 9.5355 9.5355 11.5095 11.5095 12.9659 12.9659 k =-0.0764 0.2105 1.3383 ( 4834 PWs) bands (ev): -44.3259 -44.3259 -44.3254 -44.3254 -16.4188 -16.4188 -16.4151 -16.4151 -16.2643 -16.2643 -16.2481 -16.2481 -16.1991 -16.1991 -16.1864 -16.1864 -11.2252 -11.2252 -10.5882 -10.5882 -2.2744 -2.2744 -2.0563 -2.0563 -0.8216 -0.8216 -0.6732 -0.6732 0.1306 0.1306 2.9222 2.9222 3.1532 3.1532 3.3101 3.3101 3.7807 3.7807 4.3576 4.3576 4.7609 4.7609 8.6382 8.6382 9.5384 9.5384 11.5899 11.5899 13.0858 13.0858 k =-0.0818 0.2254 1.3224 ( 4830 PWs) bands (ev): -44.3260 -44.3260 -44.3254 -44.3254 -16.4192 -16.4192 -16.4152 -16.4152 -16.2645 -16.2645 -16.2473 -16.2473 -16.1992 -16.1992 -16.1857 -16.1857 -11.2257 -11.2257 -10.5891 -10.5891 -2.2739 -2.2739 -2.0543 -2.0543 -0.8219 -0.8219 -0.6661 -0.6661 0.1155 0.1155 2.8844 2.8844 3.1424 3.1424 3.3046 3.3046 3.7987 3.7987 4.3607 4.3607 4.7676 4.7676 8.5910 8.5910 9.5441 9.5441 11.6798 11.6798 13.2114 13.2114 k =-0.0872 0.2404 1.3065 ( 4827 PWs) bands (ev): -44.3261 -44.3261 -44.3255 -44.3255 -16.4196 -16.4196 -16.4154 -16.4154 -16.2647 -16.2647 -16.2466 -16.2466 -16.1992 -16.1992 -16.1850 -16.1850 -11.2261 -11.2261 -10.5901 -10.5901 -2.2734 -2.2734 -2.0522 -2.0522 -0.8224 -0.8224 -0.6585 -0.6585 0.0996 0.0996 2.8450 2.8450 3.1319 3.1319 3.2986 3.2986 3.8175 3.8175 4.3635 4.3635 4.7753 4.7753 8.5390 8.5390 9.5518 9.5518 11.7788 11.7788 13.3421 13.3421 k =-0.0927 0.2553 1.2905 ( 4827 PWs) bands (ev): -44.3262 -44.3262 -44.3255 -44.3255 -16.4201 -16.4201 -16.4157 -16.4157 -16.2649 -16.2649 -16.2460 -16.2460 -16.1992 -16.1992 -16.1843 -16.1843 -11.2267 -11.2267 -10.5911 -10.5911 -2.2730 -2.2730 -2.0502 -2.0502 -0.8230 -0.8230 -0.6503 -0.6503 0.0830 0.0830 2.8047 2.8047 3.1213 3.1213 3.2920 3.2920 3.8374 3.8374 4.3660 4.3660 4.7841 4.7841 8.4832 8.4832 9.5605 9.5605 11.8869 11.8869 13.4770 13.4770 k =-0.0981 0.2703 1.2746 ( 4824 PWs) bands (ev): -44.3263 -44.3263 -44.3256 -44.3256 -16.4206 -16.4206 -16.4159 -16.4159 -16.2650 -16.2650 -16.2454 -16.2454 -16.1991 -16.1991 -16.1836 -16.1836 -11.2272 -11.2272 -10.5921 -10.5921 -2.2727 -2.2727 -2.0483 -2.0483 -0.8236 -0.8236 -0.6417 -0.6417 0.0657 0.0657 2.7639 2.7639 3.1106 3.1106 3.2848 3.2848 3.8584 3.8584 4.3680 4.3680 4.7941 4.7941 8.4246 8.4246 9.5695 9.5695 12.0036 12.0036 13.6154 13.6154 k =-0.1035 0.2853 1.2587 ( 4824 PWs) bands (ev): -44.3263 -44.3263 -44.3256 -44.3256 -16.4211 -16.4211 -16.4163 -16.4163 -16.2651 -16.2651 -16.2448 -16.2448 -16.1989 -16.1989 -16.1829 -16.1829 -11.2278 -11.2278 -10.5932 -10.5932 -2.2724 -2.2724 -2.0465 -2.0465 -0.8243 -0.8243 -0.6326 -0.6326 0.0480 0.0480 2.7231 2.7231 3.0996 3.0996 3.2769 3.2769 3.8804 3.8804 4.3697 4.3697 4.8054 4.8054 8.3639 8.3639 9.5782 9.5782 12.1283 12.1283 13.7553 13.7553 k =-0.1090 0.3002 1.2428 ( 4826 PWs) bands (ev): -44.3264 -44.3264 -44.3257 -44.3257 -16.4216 -16.4216 -16.4166 -16.4166 -16.2651 -16.2651 -16.2443 -16.2443 -16.1986 -16.1986 -16.1822 -16.1822 -11.2284 -11.2284 -10.5943 -10.5943 -2.2722 -2.2722 -2.0448 -2.0448 -0.8250 -0.8250 -0.6232 -0.6232 0.0300 0.0300 2.6824 2.6824 3.0881 3.0881 3.2685 3.2685 3.9037 3.9037 4.3707 4.3707 4.8179 4.8179 8.3019 8.3019 9.5863 9.5863 12.2606 12.2606 13.8864 13.8864 k =-0.1144 0.3152 1.2269 ( 4820 PWs) bands (ev): -44.3265 -44.3265 -44.3257 -44.3257 -16.4221 -16.4221 -16.4170 -16.4170 -16.2650 -16.2650 -16.2439 -16.2439 -16.1982 -16.1982 -16.1815 -16.1815 -11.2291 -11.2291 -10.5954 -10.5954 -2.2721 -2.2721 -2.0433 -2.0433 -0.8258 -0.8258 -0.6135 -0.6135 0.0117 0.0117 2.6423 2.6423 3.0762 3.0762 3.2595 3.2595 3.9280 3.9280 4.3713 4.3713 4.8318 4.8318 8.2391 8.2391 9.5933 9.5933 12.3995 12.3995 13.9257 13.9257 k =-0.1198 0.3302 1.2109 ( 4822 PWs) bands (ev): -44.3266 -44.3266 -44.3258 -44.3258 -16.4227 -16.4227 -16.4174 -16.4174 -16.2650 -16.2650 -16.2435 -16.2435 -16.1977 -16.1977 -16.1808 -16.1808 -11.2298 -11.2298 -10.5965 -10.5965 -2.2721 -2.2721 -2.0421 -2.0421 -0.8265 -0.8265 -0.6036 -0.6036 -0.0066 -0.0066 2.6029 2.6029 3.0639 3.0639 3.2499 3.2499 3.9534 3.9534 4.3712 4.3712 4.8468 4.8468 8.1760 8.1760 9.5992 9.5992 12.5442 12.5442 13.8898 13.8898 k =-0.1253 0.3451 1.1950 ( 4822 PWs) bands (ev): -44.3267 -44.3267 -44.3258 -44.3258 -16.4233 -16.4233 -16.4179 -16.4179 -16.2648 -16.2648 -16.2432 -16.2432 -16.1972 -16.1972 -16.1801 -16.1801 -11.2305 -11.2305 -10.5976 -10.5976 -2.2722 -2.2722 -2.0410 -2.0410 -0.8272 -0.8272 -0.5935 -0.5935 -0.0247 -0.0247 2.5644 2.5644 3.0512 3.0512 3.2400 3.2400 3.9797 3.9797 4.3706 4.3706 4.8630 4.8630 8.1131 8.1131 9.6038 9.6038 12.6938 12.6938 13.8447 13.8447 k =-0.1307 0.3601 1.1791 ( 4819 PWs) bands (ev): -44.3268 -44.3268 -44.3259 -44.3259 -16.4239 -16.4239 -16.4184 -16.4184 -16.2647 -16.2647 -16.2430 -16.2430 -16.1965 -16.1965 -16.1794 -16.1794 -11.2312 -11.2312 -10.5988 -10.5988 -2.2724 -2.2724 -2.0403 -2.0403 -0.8279 -0.8279 -0.5834 -0.5834 -0.0426 -0.0426 2.5269 2.5269 3.0381 3.0381 3.2297 3.2297 4.0070 4.0070 4.3695 4.3695 4.8803 4.8803 8.0508 8.0508 9.6070 9.6070 12.8467 12.8467 13.7974 13.7974 k =-0.1361 0.3751 1.1632 ( 4825 PWs) bands (ev): -44.3269 -44.3269 -44.3260 -44.3260 -16.4245 -16.4245 -16.4190 -16.4190 -16.2645 -16.2645 -16.2429 -16.2429 -16.1957 -16.1957 -16.1787 -16.1787 -11.2319 -11.2319 -10.5999 -10.5999 -2.2728 -2.2728 -2.0399 -2.0399 -0.8286 -0.8286 -0.5732 -0.5732 -0.0601 -0.0601 2.4906 2.4906 3.0247 3.0247 3.2190 3.2190 4.0349 4.0349 4.3679 4.3679 4.8986 4.8986 7.9892 7.9892 9.6090 9.6090 13.0012 13.0012 13.7497 13.7497 k =-0.1415 0.3900 1.1473 ( 4829 PWs) bands (ev): -44.3270 -44.3270 -44.3260 -44.3260 -16.4252 -16.4252 -16.4196 -16.4196 -16.2642 -16.2642 -16.2429 -16.2429 -16.1949 -16.1949 -16.1781 -16.1781 -11.2327 -11.2327 -10.6011 -10.6011 -2.2733 -2.2733 -2.0397 -2.0397 -0.8292 -0.8292 -0.5632 -0.5632 -0.0769 -0.0769 2.4555 2.4555 3.0111 3.0111 3.2082 3.2082 4.0635 4.0635 4.3658 4.3658 4.9178 4.9178 7.9288 7.9288 9.6098 9.6098 13.1536 13.1536 13.7045 13.7045 k =-0.1470 0.4050 1.1313 ( 4829 PWs) bands (ev): -44.3271 -44.3271 -44.3261 -44.3261 -16.4258 -16.4258 -16.4201 -16.4201 -16.2639 -16.2639 -16.2428 -16.2428 -16.1940 -16.1940 -16.1774 -16.1774 -11.2334 -11.2334 -10.6022 -10.6022 -2.2739 -2.2739 -2.0399 -2.0399 -0.8297 -0.8297 -0.5534 -0.5534 -0.0930 -0.0930 2.4218 2.4218 2.9972 2.9972 3.1973 3.1973 4.0925 4.0925 4.3634 4.3634 4.9377 4.9377 7.8697 7.8697 9.6094 9.6094 13.2959 13.2959 13.6685 13.6685 k =-0.1524 0.4200 1.1154 ( 4827 PWs) bands (ev): -44.3272 -44.3272 -44.3261 -44.3261 -16.4264 -16.4264 -16.4208 -16.4208 -16.2636 -16.2636 -16.2429 -16.2429 -16.1930 -16.1930 -16.1767 -16.1767 -11.2341 -11.2341 -10.6033 -10.6033 -2.2747 -2.2747 -2.0405 -2.0405 -0.8302 -0.8302 -0.5439 -0.5439 -0.1082 -0.1082 2.3895 2.3895 2.9832 2.9832 3.1863 3.1863 4.1218 4.1218 4.3607 4.3607 4.9583 4.9583 7.8122 7.8122 9.6080 9.6080 13.4030 13.4030 13.6653 13.6653 k =-0.1578 0.4349 1.0995 ( 4833 PWs) bands (ev): -44.3273 -44.3273 -44.3262 -44.3262 -16.4271 -16.4271 -16.4214 -16.4214 -16.2632 -16.2632 -16.2430 -16.2430 -16.1920 -16.1920 -16.1761 -16.1761 -11.2349 -11.2349 -10.6044 -10.6044 -2.2755 -2.2755 -2.0413 -2.0413 -0.8306 -0.8306 -0.5349 -0.5349 -0.1224 -0.1224 2.3586 2.3586 2.9691 2.9691 3.1754 3.1754 4.1512 4.1512 4.3577 4.3577 4.9794 4.9794 7.7563 7.7563 9.6057 9.6057 13.4324 13.4324 13.7351 13.7351 k =-0.1633 0.4499 1.0836 ( 4835 PWs) bands (ev): -44.3274 -44.3274 -44.3263 -44.3263 -16.4278 -16.4278 -16.4221 -16.4221 -16.2628 -16.2628 -16.2432 -16.2432 -16.1909 -16.1909 -16.1754 -16.1754 -11.2356 -11.2356 -10.6055 -10.6055 -2.2766 -2.2766 -2.0425 -2.0425 -0.8309 -0.8309 -0.5264 -0.5264 -0.1353 -0.1353 2.3291 2.3291 2.9551 2.9551 3.1646 3.1646 4.1805 4.1805 4.3547 4.3547 5.0008 5.0008 7.7024 7.7024 9.6025 9.6025 13.4058 13.4058 13.8531 13.8531 k =-0.1687 0.4649 1.0677 ( 4837 PWs) bands (ev): -44.3275 -44.3275 -44.3263 -44.3263 -16.4284 -16.4284 -16.4227 -16.4227 -16.2624 -16.2624 -16.2434 -16.2434 -16.1898 -16.1898 -16.1748 -16.1748 -11.2363 -11.2363 -10.6065 -10.6065 -2.2777 -2.2777 -2.0439 -2.0439 -0.8311 -0.8311 -0.5185 -0.5185 -0.1470 -0.1470 2.3012 2.3012 2.9411 2.9411 3.1540 3.1540 4.2095 4.2095 4.3517 4.3517 5.0224 5.0224 7.6505 7.6505 9.5987 9.5987 13.3611 13.3611 13.9778 13.9778 k =-0.1741 0.4798 1.0517 ( 4839 PWs) bands (ev): -44.3276 -44.3276 -44.3264 -44.3264 -16.4291 -16.4291 -16.4234 -16.4234 -16.2620 -16.2620 -16.2437 -16.2437 -16.1886 -16.1886 -16.1742 -16.1742 -11.2370 -11.2370 -10.6076 -10.6076 -2.2790 -2.2790 -2.0456 -2.0456 -0.8312 -0.8312 -0.5114 -0.5114 -0.1573 -0.1573 2.2748 2.2748 2.9274 2.9274 3.1436 3.1436 4.2377 4.2377 4.3489 4.3489 5.0440 5.0440 7.6007 7.6007 9.5942 9.5942 13.3106 13.3106 14.0925 14.0925 k =-0.1796 0.4948 1.0358 ( 4839 PWs) bands (ev): -44.3277 -44.3277 -44.3265 -44.3265 -16.4297 -16.4297 -16.4240 -16.4240 -16.2615 -16.2615 -16.2440 -16.2440 -16.1875 -16.1875 -16.1737 -16.1737 -11.2377 -11.2377 -10.6086 -10.6086 -2.2803 -2.2803 -2.0475 -2.0475 -0.8313 -0.8313 -0.5050 -0.5050 -0.1662 -0.1662 2.2499 2.2499 2.9138 2.9138 3.1336 3.1336 4.2647 4.2647 4.3469 4.3469 5.0654 5.0654 7.5532 7.5532 9.5893 9.5893 13.2583 13.2583 14.1900 14.1900 k =-0.1850 0.5098 1.0199 ( 4839 PWs) bands (ev): -44.3278 -44.3278 -44.3265 -44.3265 -16.4303 -16.4303 -16.4247 -16.4247 -16.2610 -16.2610 -16.2443 -16.2443 -16.1863 -16.1863 -16.1731 -16.1731 -11.2384 -11.2384 -10.6095 -10.6095 -2.2818 -2.2818 -2.0496 -2.0496 -0.8313 -0.8313 -0.4995 -0.4995 -0.1736 -0.1736 2.2266 2.2266 2.9006 2.9006 3.1239 3.1239 4.2890 4.2890 4.3468 4.3468 5.0866 5.0866 7.5081 7.5081 9.5840 9.5840 13.2059 13.2059 14.2672 14.2672 k =-0.1904 0.5247 1.0040 ( 4841 PWs) bands (ev): -44.3278 -44.3278 -44.3266 -44.3266 -16.4310 -16.4310 -16.4253 -16.4253 -16.2605 -16.2605 -16.2447 -16.2447 -16.1851 -16.1851 -16.1726 -16.1726 -11.2390 -11.2390 -10.6104 -10.6104 -2.2834 -2.2834 -2.0519 -2.0519 -0.8312 -0.8312 -0.4949 -0.4949 -0.1796 -0.1796 2.2047 2.2047 2.8878 2.8878 3.1146 3.1146 4.3074 4.3074 4.3519 4.3519 5.1073 5.1073 7.4654 7.4654 9.5784 9.5784 13.1542 13.1542 14.3247 14.3247 k =-0.1959 0.5397 0.9881 ( 4838 PWs) bands (ev): -44.3279 -44.3279 -44.3266 -44.3266 -16.4315 -16.4315 -16.4259 -16.4259 -16.2600 -16.2600 -16.2451 -16.2451 -16.1840 -16.1840 -16.1722 -16.1722 -11.2396 -11.2396 -10.6113 -10.6113 -2.2850 -2.2850 -2.0542 -2.0542 -0.8311 -0.8311 -0.4911 -0.4911 -0.1841 -0.1841 2.1844 2.1844 2.8755 2.8755 3.1058 3.1058 4.3159 4.3159 4.3660 4.3660 5.1275 5.1275 7.4253 7.4253 9.5727 9.5727 13.1039 13.1039 14.3655 14.3655 k =-0.2013 0.5547 0.9721 ( 4834 PWs) bands (ev): -44.3280 -44.3280 -44.3267 -44.3267 -16.4321 -16.4321 -16.4265 -16.4265 -16.2595 -16.2595 -16.2455 -16.2455 -16.1828 -16.1828 -16.1717 -16.1717 -11.2402 -11.2402 -10.6121 -10.6121 -2.2866 -2.2866 -2.0566 -2.0566 -0.8310 -0.8310 -0.4882 -0.4882 -0.1874 -0.1874 2.1656 2.1656 2.8638 2.8638 3.0974 3.0974 4.3173 4.3173 4.3860 4.3860 5.1469 5.1469 7.3878 7.3878 9.5670 9.5670 13.0555 13.0555 14.3936 14.3936 k =-0.2067 0.5696 0.9562 ( 4836 PWs) bands (ev): -44.3281 -44.3281 -44.3267 -44.3267 -16.4326 -16.4326 -16.4270 -16.4270 -16.2590 -16.2590 -16.2459 -16.2459 -16.1817 -16.1817 -16.1714 -16.1714 -11.2408 -11.2408 -10.6129 -10.6129 -2.2883 -2.2883 -2.0591 -2.0591 -0.8308 -0.8308 -0.4859 -0.4859 -0.1896 -0.1896 2.1483 2.1483 2.8527 2.8527 3.0896 3.0896 4.3162 4.3162 4.4076 4.4076 5.1653 5.1653 7.3531 7.3531 9.5613 9.5613 13.0095 13.0095 14.4122 14.4122 k =-0.2122 0.5846 0.9403 ( 4837 PWs) bands (ev): -44.3281 -44.3281 -44.3268 -44.3268 -16.4331 -16.4331 -16.4275 -16.4275 -16.2585 -16.2585 -16.2463 -16.2463 -16.1807 -16.1807 -16.1710 -16.1710 -11.2413 -11.2413 -10.6136 -10.6136 -2.2900 -2.2900 -2.0614 -2.0614 -0.8306 -0.8306 -0.4844 -0.4844 -0.1908 -0.1908 2.1326 2.1326 2.8423 2.8423 3.0824 3.0824 4.3141 4.3141 4.4287 4.4287 5.1827 5.1827 7.3211 7.3211 9.5558 9.5558 12.9662 12.9662 14.4243 14.4243 k =-0.2176 0.5996 0.9244 ( 4843 PWs) bands (ev): -44.3282 -44.3282 -44.3268 -44.3268 -16.4336 -16.4336 -16.4280 -16.4280 -16.2580 -16.2580 -16.2468 -16.2468 -16.1797 -16.1797 -16.1708 -16.1708 -11.2417 -11.2417 -10.6142 -10.6142 -2.2916 -2.2916 -2.0637 -2.0637 -0.8304 -0.8304 -0.4833 -0.4833 -0.1911 -0.1911 2.1183 2.1183 2.8327 2.8327 3.0758 3.0758 4.3118 4.3118 4.4487 4.4487 5.1990 5.1990 7.2920 7.2920 9.5505 9.5505 12.9260 12.9260 14.4317 14.4317 k =-0.2230 0.6145 0.9085 ( 4843 PWs) bands (ev): -44.3282 -44.3282 -44.3269 -44.3269 -16.4341 -16.4341 -16.4285 -16.4285 -16.2575 -16.2575 -16.2473 -16.2473 -16.1787 -16.1787 -16.1705 -16.1705 -11.2422 -11.2422 -10.6148 -10.6148 -2.2931 -2.2931 -2.0659 -2.0659 -0.8302 -0.8302 -0.4827 -0.4827 -0.1909 -0.1909 2.1056 2.1056 2.8239 2.8239 3.0698 3.0698 4.3094 4.3094 4.4672 4.4672 5.2139 5.2139 7.2658 7.2658 9.5455 9.5455 12.8892 12.8892 14.4360 14.4360 k =-0.2284 0.6295 0.8925 ( 4847 PWs) bands (ev): -44.3283 -44.3283 -44.3269 -44.3269 -16.4345 -16.4345 -16.4289 -16.4289 -16.2570 -16.2570 -16.2477 -16.2477 -16.1779 -16.1779 -16.1703 -16.1703 -11.2426 -11.2426 -10.6153 -10.6153 -2.2946 -2.2946 -2.0679 -2.0679 -0.8300 -0.8300 -0.4825 -0.4825 -0.1902 -0.1902 2.0943 2.0943 2.8160 2.8160 3.0644 3.0644 4.3072 4.3072 4.4839 4.4839 5.2273 5.2273 7.2425 7.2425 9.5409 9.5409 12.8561 12.8561 14.4382 14.4382 k =-0.2339 0.6444 0.8766 ( 4843 PWs) bands (ev): -44.3283 -44.3283 -44.3269 -44.3269 -16.4348 -16.4348 -16.4293 -16.4293 -16.2565 -16.2565 -16.2481 -16.2481 -16.1770 -16.1770 -16.1702 -16.1702 -11.2429 -11.2429 -10.6158 -10.6158 -2.2959 -2.2959 -2.0697 -2.0697 -0.8298 -0.8298 -0.4824 -0.4824 -0.1892 -0.1892 2.0846 2.0846 2.8090 2.8090 3.0597 3.0597 4.3052 4.3052 4.4987 4.4987 5.2393 5.2393 7.2223 7.2223 9.5368 9.5368 12.8269 12.8269 14.4390 14.4390 k =-0.2393 0.6594 0.8607 ( 4849 PWs) bands (ev): -44.3284 -44.3284 -44.3269 -44.3269 -16.4351 -16.4351 -16.4296 -16.4296 -16.2560 -16.2560 -16.2486 -16.2486 -16.1763 -16.1763 -16.1701 -16.1701 -11.2432 -11.2432 -10.6162 -10.6162 -2.2971 -2.2971 -2.0712 -2.0712 -0.8297 -0.8297 -0.4825 -0.4825 -0.1881 -0.1881 2.0764 2.0764 2.8031 2.8031 3.0557 3.0557 4.3034 4.3034 4.5114 4.5114 5.2495 5.2495 7.2051 7.2051 9.5332 9.5332 12.8018 12.8018 14.4389 14.4389 k =-0.2447 0.6744 0.8448 ( 4843 PWs) bands (ev): -44.3284 -44.3284 -44.3270 -44.3270 -16.4353 -16.4353 -16.4298 -16.4298 -16.2556 -16.2556 -16.2490 -16.2490 -16.1757 -16.1757 -16.1701 -16.1701 -11.2434 -11.2434 -10.6165 -10.6165 -2.2981 -2.2981 -2.0726 -2.0726 -0.8295 -0.8295 -0.4827 -0.4827 -0.1870 -0.1870 2.0696 2.0696 2.7982 2.7982 3.0524 3.0524 4.3020 4.3020 4.5220 4.5220 5.2581 5.2581 7.1910 7.1910 9.5302 9.5302 12.7811 12.7811 14.4384 14.4384 k =-0.2502 0.6893 0.8289 ( 4841 PWs) bands (ev): -44.3284 -44.3284 -44.3270 -44.3270 -16.4355 -16.4355 -16.4300 -16.4300 -16.2552 -16.2552 -16.2493 -16.2493 -16.1751 -16.1751 -16.1701 -16.1701 -11.2436 -11.2436 -10.6168 -10.6168 -2.2989 -2.2989 -2.0736 -2.0736 -0.8294 -0.8294 -0.4829 -0.4829 -0.1861 -0.1861 2.0644 2.0644 2.7943 2.7943 3.0499 3.0499 4.3008 4.3008 4.5304 4.5304 5.2648 5.2648 7.1800 7.1800 9.5278 9.5278 12.7647 12.7647 14.4378 14.4378 k =-0.2556 0.7043 0.8129 ( 4843 PWs) bands (ev): -44.3284 -44.3284 -44.3270 -44.3270 -16.4356 -16.4356 -16.4302 -16.4302 -16.2549 -16.2549 -16.2496 -16.2496 -16.1748 -16.1748 -16.1701 -16.1701 -11.2437 -11.2437 -10.6169 -10.6169 -2.2995 -2.2995 -2.0744 -2.0744 -0.8293 -0.8293 -0.4830 -0.4830 -0.1853 -0.1853 2.0606 2.0606 2.7915 2.7915 3.0480 3.0480 4.2999 4.2999 4.5363 4.5363 5.2696 5.2696 7.1721 7.1721 9.5261 9.5261 12.7530 12.7530 14.4372 14.4372 k =-0.2610 0.7193 0.7970 ( 4838 PWs) bands (ev): -44.3284 -44.3284 -44.3270 -44.3270 -16.4357 -16.4357 -16.4302 -16.4302 -16.2547 -16.2547 -16.2498 -16.2498 -16.1746 -16.1746 -16.1701 -16.1701 -11.2438 -11.2438 -10.6170 -10.6170 -2.2999 -2.2999 -2.0748 -2.0748 -0.8293 -0.8293 -0.4831 -0.4831 -0.1849 -0.1849 2.0584 2.0584 2.7899 2.7899 3.0469 3.0469 4.2994 4.2994 4.5400 4.5400 5.2725 5.2725 7.1674 7.1674 9.5250 9.5250 12.7459 12.7459 14.4368 14.4368 k =-0.2665 0.7342 0.7811 ( 4834 PWs) bands (ev): -44.3284 -44.3284 -44.3270 -44.3270 -16.4357 -16.4357 -16.4302 -16.4302 -16.2546 -16.2546 -16.2498 -16.2498 -16.1745 -16.1745 -16.1701 -16.1701 -11.2438 -11.2438 -10.6171 -10.6171 -2.3000 -2.3000 -2.0750 -2.0750 -0.8293 -0.8293 -0.4832 -0.4832 -0.1847 -0.1847 2.0576 2.0576 2.7893 2.7893 3.0466 3.0466 4.2993 4.2993 4.5412 4.5412 5.2735 5.2735 7.1658 7.1658 9.5247 9.5247 12.7436 12.7436 14.4366 14.4366 k =-0.2665 0.7342 0.7811 ( 4834 PWs) bands (ev): -44.3284 -44.3284 -44.3270 -44.3270 -16.4357 -16.4357 -16.4302 -16.4302 -16.2546 -16.2546 -16.2498 -16.2498 -16.1745 -16.1745 -16.1701 -16.1701 -11.2438 -11.2438 -10.6171 -10.6171 -2.3000 -2.3000 -2.0750 -2.0750 -0.8293 -0.8293 -0.4832 -0.4832 -0.1847 -0.1847 2.0576 2.0576 2.7893 2.7893 3.0466 3.0466 4.2993 4.2993 4.5412 4.5412 5.2735 5.2735 7.1658 7.1658 9.5247 9.5247 12.7436 12.7436 14.4366 14.4366 k =-0.2611 0.7196 0.7655 ( 4846 PWs) bands (ev): -44.3282 -44.3282 -44.3272 -44.3272 -16.4353 -16.4353 -16.4311 -16.4311 -16.2542 -16.2542 -16.2506 -16.2506 -16.1738 -16.1738 -16.1708 -16.1708 -11.2446 -11.2446 -10.6137 -10.6137 -2.3014 -2.3014 -2.0754 -2.0754 -0.8324 -0.8324 -0.4833 -0.4833 -0.1858 -0.1858 2.1084 2.1084 2.7518 2.7518 3.0513 3.0513 4.2929 4.2929 4.5436 4.5436 5.2709 5.2709 7.1541 7.1541 9.4870 9.4870 12.8302 12.8302 14.3756 14.3756 k =-0.2558 0.7049 0.7499 ( 4858 PWs) bands (ev): -44.3280 -44.3280 -44.3274 -44.3274 -16.4349 -16.4349 -16.4318 -16.4318 -16.2538 -16.2538 -16.2513 -16.2513 -16.1732 -16.1732 -16.1715 -16.1715 -11.2457 -11.2457 -10.6108 -10.6108 -2.3027 -2.3027 -2.0756 -2.0756 -0.8354 -0.8354 -0.4833 -0.4833 -0.1867 -0.1867 2.1516 2.1516 2.7150 2.7150 3.0589 3.0589 4.2880 4.2880 4.5460 4.5460 5.2682 5.2682 7.1518 7.1518 9.4516 9.4516 12.9120 12.9120 14.3154 14.3154 k =-0.2505 0.6902 0.7342 ( 4862 PWs) bands (ev): -44.3277 -44.3277 -44.3277 -44.3277 -16.4345 -16.4345 -16.4324 -16.4324 -16.2532 -16.2532 -16.2520 -16.2520 -16.1727 -16.1727 -16.1721 -16.1721 -11.2473 -11.2473 -10.6083 -10.6083 -2.3040 -2.3040 -2.0757 -2.0757 -0.8384 -0.8384 -0.4834 -0.4834 -0.1873 -0.1873 2.1841 2.1841 2.6831 2.6831 3.0683 3.0683 4.2847 4.2847 4.5483 4.5483 5.2656 5.2656 7.1589 7.1589 9.4185 9.4185 12.9876 12.9876 14.2563 14.2563 k =-0.2451 0.6755 0.7186 ( 4862 PWs) bands (ev): -44.3279 -44.3279 -44.3275 -44.3275 -16.4342 -16.4342 -16.4325 -16.4325 -16.2528 -16.2528 -16.2523 -16.2523 -16.1729 -16.1729 -16.1719 -16.1719 -11.2493 -11.2493 -10.6063 -10.6063 -2.3053 -2.3053 -2.0757 -2.0757 -0.8413 -0.8413 -0.4834 -0.4834 -0.1876 -0.1876 2.2014 2.2014 2.6612 2.6612 3.0786 3.0786 4.2830 4.2830 4.5506 4.5506 5.2630 5.2630 7.1752 7.1752 9.3878 9.3878 13.0556 13.0556 14.1981 14.1981 k =-0.2398 0.6608 0.7030 ( 4858 PWs) bands (ev): -44.3282 -44.3282 -44.3273 -44.3273 -16.4344 -16.4344 -16.4320 -16.4320 -16.2531 -16.2531 -16.2519 -16.2519 -16.1735 -16.1735 -16.1712 -16.1712 -11.2518 -11.2518 -10.6047 -10.6047 -2.3066 -2.3066 -2.0756 -2.0756 -0.8441 -0.8441 -0.4835 -0.4835 -0.1877 -0.1877 2.1995 2.1995 2.6538 2.6538 3.0896 3.0896 4.2828 4.2828 4.5528 4.5528 5.2604 5.2604 7.2005 7.2005 9.3597 9.3597 13.1140 13.1140 14.1410 14.1410 k =-0.2345 0.6461 0.6874 ( 4862 PWs) bands (ev): -44.3284 -44.3284 -44.3270 -44.3270 -16.4347 -16.4347 -16.4312 -16.4312 -16.2536 -16.2536 -16.2512 -16.2512 -16.1742 -16.1742 -16.1706 -16.1706 -11.2546 -11.2546 -10.6036 -10.6036 -2.3079 -2.3079 -2.0753 -2.0753 -0.8469 -0.8469 -0.4835 -0.4835 -0.1875 -0.1875 2.1774 2.1774 2.6624 2.6624 3.1010 3.1010 4.2842 4.2842 4.5549 4.5549 5.2578 5.2578 7.2342 7.2342 9.3343 9.3343 13.1606 13.1606 14.0850 14.0850 k =-0.2292 0.6314 0.6717 ( 4864 PWs) bands (ev): -44.3287 -44.3287 -44.3268 -44.3268 -16.4350 -16.4350 -16.4303 -16.4303 -16.2540 -16.2540 -16.2504 -16.2504 -16.1748 -16.1748 -16.1700 -16.1700 -11.2579 -11.2579 -10.6029 -10.6029 -2.3091 -2.3091 -2.0749 -2.0749 -0.8495 -0.8495 -0.4835 -0.4835 -0.1871 -0.1871 2.1379 2.1379 2.6848 2.6848 3.1125 3.1125 4.2872 4.2872 4.5569 4.5569 5.2552 5.2552 7.2757 7.2757 9.3120 9.3120 13.1931 13.1931 14.0301 14.0301 k =-0.2238 0.6168 0.6561 ( 4864 PWs) bands (ev): -44.3289 -44.3289 -44.3266 -44.3266 -16.4353 -16.4353 -16.4292 -16.4292 -16.2543 -16.2543 -16.2496 -16.2496 -16.1754 -16.1754 -16.1693 -16.1693 -11.2616 -11.2616 -10.6026 -10.6026 -2.3103 -2.3103 -2.0744 -2.0744 -0.8520 -0.8520 -0.4836 -0.4836 -0.1863 -0.1863 2.0854 2.0854 2.7168 2.7168 3.1240 3.1240 4.2919 4.2919 4.5588 4.5588 5.2527 5.2527 7.3242 7.3242 9.2935 9.2935 13.2094 13.2094 13.9763 13.9763 k =-0.2185 0.6021 0.6405 ( 4856 PWs) bands (ev): -44.3292 -44.3292 -44.3264 -44.3264 -16.4355 -16.4355 -16.4281 -16.4281 -16.2546 -16.2546 -16.2486 -16.2486 -16.1759 -16.1759 -16.1686 -16.1686 -11.2657 -11.2657 -10.6028 -10.6028 -2.3116 -2.3116 -2.0738 -2.0738 -0.8543 -0.8543 -0.4836 -0.4836 -0.1853 -0.1853 2.0239 2.0239 2.7551 2.7551 3.1355 3.1355 4.2982 4.2982 4.5607 4.5607 5.2501 5.2501 7.3785 7.3785 9.2791 9.2791 13.2085 13.2085 13.9236 13.9236 k =-0.2132 0.5874 0.6249 ( 4852 PWs) bands (ev): -44.3294 -44.3294 -44.3262 -44.3262 -16.4356 -16.4356 -16.4268 -16.4268 -16.2548 -16.2548 -16.2477 -16.2477 -16.1765 -16.1765 -16.1679 -16.1679 -11.2701 -11.2701 -10.6034 -10.6034 -2.3128 -2.3128 -2.0731 -2.0731 -0.8566 -0.8566 -0.4836 -0.4836 -0.1839 -0.1839 1.9561 1.9561 2.7972 2.7972 3.1470 3.1470 4.3061 4.3061 4.5624 4.5624 5.2476 5.2476 7.4374 7.4374 9.2699 9.2699 13.1905 13.1905 13.8721 13.8721 k =-0.2078 0.5727 0.6093 ( 4850 PWs) bands (ev): -44.3297 -44.3297 -44.3260 -44.3260 -16.4356 -16.4356 -16.4254 -16.4254 -16.2550 -16.2550 -16.2467 -16.2467 -16.1771 -16.1771 -16.1672 -16.1672 -11.2749 -11.2749 -10.6044 -10.6044 -2.3141 -2.3141 -2.0724 -2.0724 -0.8587 -0.8587 -0.4835 -0.4835 -0.1823 -0.1823 1.8840 1.8840 2.8415 2.8415 3.1584 3.1584 4.3157 4.3157 4.5641 4.5641 5.2452 5.2452 7.4994 7.4994 9.2667 9.2667 13.1568 13.1568 13.8218 13.8218 k =-0.2025 0.5580 0.5936 ( 4850 PWs) bands (ev): -44.3300 -44.3300 -44.3258 -44.3258 -16.4356 -16.4356 -16.4240 -16.4240 -16.2551 -16.2551 -16.2456 -16.2456 -16.1777 -16.1777 -16.1666 -16.1666 -11.2801 -11.2801 -10.6058 -10.6058 -2.3154 -2.3154 -2.0716 -2.0716 -0.8606 -0.8606 -0.4835 -0.4835 -0.1803 -0.1803 1.8090 1.8090 2.8872 2.8872 3.1698 3.1698 4.3269 4.3269 4.5656 4.5656 5.2427 5.2427 7.5629 7.5629 9.2708 9.2708 13.1095 13.1095 13.7725 13.7725 k =-0.1972 0.5433 0.5780 ( 4845 PWs) bands (ev): -44.3302 -44.3302 -44.3257 -44.3257 -16.4356 -16.4356 -16.4225 -16.4225 -16.2551 -16.2551 -16.2445 -16.2445 -16.1782 -16.1782 -16.1659 -16.1659 -11.2856 -11.2856 -10.6076 -10.6076 -2.3168 -2.3168 -2.0708 -2.0708 -0.8624 -0.8624 -0.4835 -0.4835 -0.1780 -0.1780 1.7319 1.7319 2.9336 2.9336 3.1814 3.1814 4.3398 4.3398 4.5671 4.5671 5.2403 5.2403 7.6258 7.6259 9.2835 9.2835 13.0512 13.0512 13.7244 13.7244 k =-0.1919 0.5287 0.5624 ( 4851 PWs) bands (ev): -44.3305 -44.3305 -44.3255 -44.3255 -16.4355 -16.4355 -16.4210 -16.4210 -16.2551 -16.2551 -16.2434 -16.2434 -16.1787 -16.1787 -16.1653 -16.1653 -11.2915 -11.2915 -10.6098 -10.6098 -2.3182 -2.3182 -2.0701 -2.0701 -0.8641 -0.8641 -0.4834 -0.4834 -0.1753 -0.1753 1.6536 1.6536 2.9799 2.9799 3.1933 3.1933 4.3543 4.3543 4.5685 4.5685 5.2379 5.2379 7.6864 7.6864 9.3062 9.3062 12.9845 12.9845 13.6774 13.6774 k =-0.1865 0.5140 0.5468 ( 4847 PWs) bands (ev): -44.3308 -44.3308 -44.3254 -44.3254 -16.4353 -16.4353 -16.4194 -16.4194 -16.2550 -16.2550 -16.2422 -16.2422 -16.1792 -16.1792 -16.1646 -16.1646 -11.2976 -11.2976 -10.6123 -10.6123 -2.3196 -2.3196 -2.0693 -2.0693 -0.8656 -0.8656 -0.4833 -0.4833 -0.1723 -0.1723 1.5746 1.5746 3.0256 3.0256 3.2062 3.2062 4.3704 4.3704 4.5697 4.5697 5.2356 5.2356 7.7424 7.7424 9.3406 9.3406 12.9113 12.9113 13.6314 13.6314 k =-0.1812 0.4993 0.5311 ( 4851 PWs) bands (ev): -44.3310 -44.3310 -44.3252 -44.3252 -16.4352 -16.4352 -16.4178 -16.4178 -16.2550 -16.2550 -16.2409 -16.2409 -16.1796 -16.1796 -16.1639 -16.1639 -11.3041 -11.3041 -10.6152 -10.6152 -2.3212 -2.3212 -2.0686 -2.0686 -0.8669 -0.8669 -0.4832 -0.4832 -0.1689 -0.1689 1.4954 1.4954 3.0694 3.0694 3.2211 3.2211 4.3880 4.3880 4.5709 4.5709 5.2334 5.2334 7.7923 7.7923 9.3878 9.3878 12.8335 12.8335 13.5866 13.5866 k =-0.1759 0.4846 0.5155 ( 4847 PWs) bands (ev): -44.3313 -44.3313 -44.3251 -44.3251 -16.4349 -16.4349 -16.4161 -16.4161 -16.2547 -16.2547 -16.2397 -16.2397 -16.1800 -16.1800 -16.1632 -16.1632 -11.3107 -11.3107 -10.6184 -10.6184 -2.3228 -2.3228 -2.0680 -2.0680 -0.8681 -0.8681 -0.4831 -0.4831 -0.1653 -0.1653 1.4164 1.4164 3.1095 3.1095 3.2398 3.2398 4.4072 4.4072 4.5720 4.5720 5.2311 5.2311 7.8344 7.8344 9.4489 9.4489 12.7525 12.7525 13.5429 13.5429 k =-0.1705 0.4699 0.4999 ( 4859 PWs) bands (ev): -44.3316 -44.3316 -44.3249 -44.3249 -16.4347 -16.4347 -16.4144 -16.4144 -16.2545 -16.2545 -16.2384 -16.2384 -16.1804 -16.1804 -16.1626 -16.1626 -11.3177 -11.3177 -10.6218 -10.6218 -2.3245 -2.3245 -2.0676 -2.0676 -0.8691 -0.8691 -0.4829 -0.4829 -0.1612 -0.1612 1.3380 1.3380 3.1429 3.1429 3.2651 3.2651 4.4278 4.4278 4.5730 4.5730 5.2290 5.2290 7.8679 7.8679 9.5243 9.5243 12.6692 12.6692 13.5002 13.5002 k =-0.1652 0.4552 0.4843 ( 4865 PWs) bands (ev): -44.3319 -44.3319 -44.3248 -44.3248 -16.4344 -16.4344 -16.4127 -16.4127 -16.2543 -16.2543 -16.2371 -16.2371 -16.1808 -16.1808 -16.1620 -16.1620 -11.3248 -11.3248 -10.6255 -10.6255 -2.3263 -2.3263 -2.0673 -2.0673 -0.8700 -0.8700 -0.4827 -0.4827 -0.1568 -0.1568 1.2605 1.2605 3.1680 3.1680 3.2987 3.2987 4.4499 4.4499 4.5739 4.5739 5.2269 5.2269 7.8924 7.8924 9.6140 9.6140 12.5845 12.5845 13.4588 13.4588 k =-0.1599 0.4405 0.4687 ( 4857 PWs) bands (ev): -44.3321 -44.3321 -44.3247 -44.3247 -16.4341 -16.4341 -16.4109 -16.4109 -16.2540 -16.2540 -16.2357 -16.2357 -16.1810 -16.1810 -16.1612 -16.1612 -11.3321 -11.3321 -10.6295 -10.6295 -2.3282 -2.3282 -2.0672 -2.0672 -0.8707 -0.8707 -0.4825 -0.4825 -0.1521 -0.1521 1.1842 1.1842 3.1856 3.1856 3.3398 3.3398 4.4733 4.4733 4.5747 4.5747 5.2249 5.2249 7.9083 7.9083 9.7172 9.7172 12.4991 12.4991 13.4186 13.4186 k =-0.1545 0.4259 0.4530 ( 4849 PWs) bands (ev): -44.3324 -44.3324 -44.3245 -44.3245 -16.4337 -16.4337 -16.4091 -16.4091 -16.2537 -16.2537 -16.2343 -16.2343 -16.1813 -16.1813 -16.1605 -16.1605 -11.3395 -11.3395 -10.6337 -10.6337 -2.3303 -2.3303 -2.0672 -2.0672 -0.8712 -0.8712 -0.4822 -0.4822 -0.1471 -0.1471 1.1094 1.1094 3.1980 3.1980 3.3861 3.3861 4.4980 4.4980 4.5755 4.5755 5.2229 5.2229 7.9160 7.9160 9.8329 9.8329 12.4135 12.4135 13.3796 13.3796 k =-0.1492 0.4112 0.4374 ( 4849 PWs) bands (ev): -44.3327 -44.3327 -44.3244 -44.3244 -16.4334 -16.4334 -16.4073 -16.4073 -16.2533 -16.2533 -16.2328 -16.2328 -16.1815 -16.1815 -16.1598 -16.1598 -11.3471 -11.3471 -10.6380 -10.6380 -2.3325 -2.3325 -2.0676 -2.0676 -0.8716 -0.8716 -0.4819 -0.4819 -0.1418 -0.1418 1.0362 1.0362 3.2071 3.2071 3.4354 3.4354 4.5237 4.5237 4.5763 4.5763 5.2211 5.2211 7.9164 7.9164 9.9599 9.9599 12.3282 12.3282 13.3420 13.3420 k =-0.1439 0.3965 0.4218 ( 4847 PWs) bands (ev): -44.3329 -44.3329 -44.3243 -44.3243 -16.4331 -16.4331 -16.4055 -16.4055 -16.2530 -16.2530 -16.2313 -16.2313 -16.1817 -16.1817 -16.1591 -16.1591 -11.3547 -11.3547 -10.6426 -10.6426 -2.3347 -2.3347 -2.0681 -2.0681 -0.8718 -0.8718 -0.4815 -0.4815 -0.1362 -0.1362 0.9648 0.9648 3.2141 3.2141 3.4867 3.4867 4.5503 4.5503 4.5772 4.5772 5.2193 5.2193 7.9106 7.9106 10.0966 10.0966 12.2435 12.2435 13.3058 13.3058 k =-0.1386 0.3818 0.4062 ( 4849 PWs) bands (ev): -44.3332 -44.3332 -44.3242 -44.3242 -16.4328 -16.4328 -16.4037 -16.4037 -16.2526 -16.2526 -16.2299 -16.2299 -16.1818 -16.1818 -16.1583 -16.1583 -11.3625 -11.3625 -10.6472 -10.6472 -2.3372 -2.3372 -2.0690 -2.0690 -0.8719 -0.8719 -0.4811 -0.4811 -0.1303 -0.1303 0.8956 0.8956 3.2197 3.2197 3.5392 3.5392 4.5732 4.5732 4.5826 4.5826 5.2176 5.2176 7.8994 7.8994 10.2418 10.2418 12.1597 12.1597 13.2712 13.2712 k =-0.1332 0.3671 0.3905 ( 4845 PWs) bands (ev): -44.3335 -44.3335 -44.3241 -44.3241 -16.4325 -16.4325 -16.4019 -16.4019 -16.2523 -16.2523 -16.2283 -16.2283 -16.1819 -16.1819 -16.1575 -16.1575 -11.3702 -11.3702 -10.6520 -10.6520 -2.3397 -2.3397 -2.0701 -2.0701 -0.8718 -0.8718 -0.4806 -0.4806 -0.1241 -0.1241 0.8285 0.8285 3.2241 3.2241 3.5927 3.5927 4.5766 4.5766 4.6085 4.6085 5.2159 5.2159 7.8837 7.8837 10.3940 10.3940 12.0773 12.0773 13.2384 13.2384 k =-0.1279 0.3524 0.3749 ( 4847 PWs) bands (ev): -44.3337 -44.3337 -44.3240 -44.3240 -16.4322 -16.4322 -16.4001 -16.4001 -16.2519 -16.2519 -16.2268 -16.2268 -16.1820 -16.1820 -16.1568 -16.1568 -11.3780 -11.3780 -10.6569 -10.6569 -2.3424 -2.3424 -2.0715 -2.0715 -0.8716 -0.8716 -0.4801 -0.4801 -0.1178 -0.1178 0.7637 0.7637 3.2277 3.2277 3.6466 3.6466 4.5772 4.5772 4.6378 4.6378 5.2144 5.2144 7.8643 7.8643 10.5519 10.5519 11.9966 11.9966 13.2075 13.2075 k =-0.1226 0.3377 0.3593 ( 4839 PWs) bands (ev): -44.3340 -44.3340 -44.3239 -44.3239 -16.4319 -16.4319 -16.3983 -16.3983 -16.2515 -16.2515 -16.2252 -16.2252 -16.1820 -16.1820 -16.1559 -16.1559 -11.3857 -11.3857 -10.6618 -10.6618 -2.3451 -2.3451 -2.0732 -2.0732 -0.8712 -0.8712 -0.4795 -0.4795 -0.1112 -0.1112 0.7015 0.7015 3.2305 3.2305 3.7011 3.7011 4.5776 4.5776 4.6678 4.6678 5.2130 5.2130 7.8418 7.8418 10.7139 10.7139 11.9180 11.9180 13.1789 13.1789 k =-0.1172 0.3231 0.3437 ( 4843 PWs) bands (ev): -44.3342 -44.3342 -44.3239 -44.3239 -16.4316 -16.4316 -16.3966 -16.3966 -16.2512 -16.2512 -16.2237 -16.2237 -16.1821 -16.1821 -16.1551 -16.1551 -11.3934 -11.3934 -10.6667 -10.6667 -2.3481 -2.3481 -2.0751 -2.0751 -0.8708 -0.8708 -0.4789 -0.4789 -0.1046 -0.1046 0.6417 0.6417 3.2326 3.2326 3.7556 3.7556 4.5779 4.5779 4.6983 4.6983 5.2117 5.2117 7.8169 7.8169 10.8783 10.8783 11.8423 11.8423 13.1529 13.1529 k =-0.1119 0.3084 0.3281 ( 4831 PWs) bands (ev): -44.3344 -44.3344 -44.3238 -44.3238 -16.4313 -16.4313 -16.3949 -16.3949 -16.2509 -16.2509 -16.2221 -16.2221 -16.1821 -16.1821 -16.1542 -16.1542 -11.4010 -11.4010 -10.6717 -10.6717 -2.3511 -2.3511 -2.0774 -2.0774 -0.8702 -0.8702 -0.4783 -0.4783 -0.0978 -0.0978 0.5846 0.5846 3.2343 3.2343 3.8101 3.8101 4.5781 4.5781 4.7292 4.7292 5.2105 5.2105 7.7899 7.7899 11.0428 11.0428 11.7709 11.7709 13.1302 13.1302 k =-0.1066 0.2937 0.3124 ( 4839 PWs) bands (ev): -44.3347 -44.3347 -44.3237 -44.3237 -16.4311 -16.4311 -16.3933 -16.3933 -16.2506 -16.2506 -16.2205 -16.2205 -16.1821 -16.1821 -16.1533 -16.1533 -11.4085 -11.4085 -10.6766 -10.6766 -2.3542 -2.3542 -2.0799 -2.0799 -0.8696 -0.8696 -0.4776 -0.4776 -0.0909 -0.0909 0.5302 0.5302 3.2354 3.2354 3.8645 3.8645 4.5782 4.5782 4.7602 4.7602 5.2095 5.2095 7.7614 7.7614 11.2025 11.2025 11.7072 11.7072 13.1113 13.1113 k =-0.1013 0.2790 0.2968 ( 4839 PWs) bands (ev): -44.3349 -44.3349 -44.3237 -44.3237 -16.4309 -16.4309 -16.3917 -16.3917 -16.2503 -16.2503 -16.2190 -16.2190 -16.1821 -16.1821 -16.1524 -16.1524 -11.4159 -11.4159 -10.6815 -10.6815 -2.3574 -2.3574 -2.0826 -2.0826 -0.8689 -0.8689 -0.4768 -0.4768 -0.0840 -0.0840 0.4786 0.4786 3.2361 3.2361 3.9185 3.9185 4.5783 4.5783 4.7912 4.7912 5.2085 5.2085 7.7318 7.7318 11.3438 11.3438 11.6635 11.6635 13.0973 13.0973 k =-0.0959 0.2643 0.2812 ( 4843 PWs) bands (ev): -44.3351 -44.3351 -44.3236 -44.3236 -16.4307 -16.4307 -16.3901 -16.3901 -16.2501 -16.2501 -16.2174 -16.2174 -16.1822 -16.1822 -16.1515 -16.1515 -11.4230 -11.4230 -10.6863 -10.6863 -2.3607 -2.3607 -2.0855 -2.0855 -0.8681 -0.8681 -0.4760 -0.4760 -0.0770 -0.0770 0.4297 0.4297 3.2364 3.2364 3.9719 3.9719 4.5784 4.5784 4.8220 4.8220 5.2078 5.2078 7.7013 7.7013 11.4217 11.4217 11.6830 11.6830 13.0898 13.0898 k =-0.0906 0.2496 0.2656 ( 4837 PWs) bands (ev): -44.3353 -44.3353 -44.3236 -44.3236 -16.4305 -16.4305 -16.3886 -16.3886 -16.2498 -16.2498 -16.2158 -16.2158 -16.1822 -16.1822 -16.1505 -16.1505 -11.4300 -11.4300 -10.6910 -10.6910 -2.3640 -2.3640 -2.0886 -2.0886 -0.8673 -0.8673 -0.4752 -0.4752 -0.0702 -0.0702 0.3837 0.3837 3.2364 3.2364 4.0245 4.0245 4.5785 4.5785 4.8524 4.8524 5.2073 5.2073 7.6702 7.6702 11.4097 11.4097 11.7894 11.7894 13.0907 13.0907 k =-0.0853 0.2350 0.2500 ( 4835 PWs) bands (ev): -44.3355 -44.3355 -44.3235 -44.3235 -16.4304 -16.4304 -16.3872 -16.3872 -16.2496 -16.2496 -16.2143 -16.2143 -16.1822 -16.1822 -16.1495 -16.1495 -11.4367 -11.4367 -10.6956 -10.6956 -2.3674 -2.3674 -2.0917 -2.0917 -0.8664 -0.8664 -0.4744 -0.4744 -0.0634 -0.0634 0.3405 0.3405 3.2362 3.2362 4.0762 4.0762 4.5785 4.5785 4.8822 4.8822 5.2070 5.2070 7.6389 7.6389 11.3630 11.3630 11.9243 11.9243 13.1029 13.1029 k =-0.0799 0.2203 0.2343 ( 4845 PWs) bands (ev): -44.3357 -44.3357 -44.3235 -44.3235 -16.4303 -16.4303 -16.3859 -16.3859 -16.2495 -16.2495 -16.2129 -16.2129 -16.1824 -16.1824 -16.1485 -16.1485 -11.4432 -11.4432 -10.7000 -10.7000 -2.3708 -2.3708 -2.0950 -2.0950 -0.8656 -0.8656 -0.4736 -0.4736 -0.0567 -0.0567 0.3002 0.3002 3.2357 3.2357 4.1266 4.1266 4.5786 4.5786 4.9112 4.9112 5.2069 5.2069 7.6077 7.6077 11.3087 11.3087 12.0565 12.0565 13.1303 13.1303 k =-0.0746 0.2056 0.2187 ( 4839 PWs) bands (ev): -44.3359 -44.3359 -44.3234 -44.3234 -16.4301 -16.4301 -16.3846 -16.3846 -16.2493 -16.2493 -16.2114 -16.2114 -16.1824 -16.1824 -16.1475 -16.1475 -11.4494 -11.4494 -10.7043 -10.7043 -2.3742 -2.3742 -2.0984 -2.0984 -0.8647 -0.8647 -0.4728 -0.4728 -0.0503 -0.0503 0.2627 0.2627 3.2351 3.2351 4.1756 4.1756 4.5787 4.5787 4.9391 4.9391 5.2071 5.2071 7.5767 7.5767 11.2535 11.2535 12.1742 12.1742 13.1770 13.1770 k =-0.0693 0.1909 0.2031 ( 4849 PWs) bands (ev): -44.3360 -44.3360 -44.3234 -44.3234 -16.4301 -16.4301 -16.3834 -16.3834 -16.2492 -16.2492 -16.2100 -16.2100 -16.1826 -16.1826 -16.1465 -16.1465 -11.4552 -11.4552 -10.7083 -10.7083 -2.3776 -2.3776 -2.1017 -2.1017 -0.8639 -0.8639 -0.4721 -0.4721 -0.0440 -0.0440 0.2280 0.2280 3.2343 3.2343 4.2228 4.2228 4.5789 4.5789 4.9657 4.9657 5.2077 5.2077 7.5463 7.5463 11.1997 11.1997 12.2711 12.2711 13.2463 13.2463 k =-0.0640 0.1762 0.1875 ( 4841 PWs) bands (ev): -44.3362 -44.3362 -44.3233 -44.3233 -16.4299 -16.4299 -16.3823 -16.3823 -16.2490 -16.2490 -16.2086 -16.2086 -16.1827 -16.1827 -16.1456 -16.1456 -11.4608 -11.4608 -10.7122 -10.7122 -2.3809 -2.3809 -2.1049 -2.1049 -0.8630 -0.8630 -0.4713 -0.4713 -0.0380 -0.0380 0.1962 0.1962 3.2334 3.2334 4.2681 4.2681 4.5792 4.5792 4.9909 4.9909 5.2087 5.2087 7.5167 7.5167 11.1483 11.1483 12.3449 12.3449 13.3388 13.3388 k =-0.0586 0.1615 0.1718 ( 4843 PWs) bands (ev): -44.3363 -44.3363 -44.3233 -44.3233 -16.4299 -16.4299 -16.3812 -16.3812 -16.2489 -16.2489 -16.2072 -16.2072 -16.1829 -16.1829 -16.1447 -16.1447 -11.4660 -11.4660 -10.7158 -10.7158 -2.3841 -2.3841 -2.1081 -2.1081 -0.8622 -0.8622 -0.4706 -0.4706 -0.0324 -0.0324 0.1671 0.1671 3.2324 3.2324 4.3110 4.3110 4.5796 4.5796 5.0142 5.0142 5.2101 5.2101 7.4881 7.4881 11.0998 11.0998 12.3971 12.3971 13.4510 13.4510 k =-0.0533 0.1468 0.1562 ( 4847 PWs) bands (ev): -44.3365 -44.3365 -44.3233 -44.3233 -16.4298 -16.4298 -16.3802 -16.3802 -16.2489 -16.2489 -16.2059 -16.2059 -16.1831 -16.1831 -16.1438 -16.1438 -11.4708 -11.4708 -10.7191 -10.7191 -2.3872 -2.3872 -2.1112 -2.1112 -0.8614 -0.8614 -0.4700 -0.4700 -0.0270 -0.0270 0.1407 0.1407 3.2314 3.2314 4.3513 4.3513 4.5802 4.5802 5.0356 5.0356 5.2121 5.2121 7.4609 7.4609 11.0546 11.0546 12.4320 12.4320 13.5768 13.5768 k =-0.0480 0.1322 0.1406 ( 4835 PWs) bands (ev): -44.3366 -44.3366 -44.3233 -44.3233 -16.4298 -16.4298 -16.3793 -16.3793 -16.2488 -16.2488 -16.2046 -16.2046 -16.1834 -16.1834 -16.1429 -16.1429 -11.4752 -11.4752 -10.7222 -10.7222 -2.3902 -2.3902 -2.1141 -2.1141 -0.8607 -0.8607 -0.4694 -0.4694 -0.0221 -0.0221 0.1171 0.1171 3.2304 3.2304 4.3886 4.3886 4.5810 4.5810 5.0547 5.0547 5.2148 5.2148 7.4352 7.4352 11.0131 11.0131 12.4542 12.4542 13.7093 13.7093 k =-0.0426 0.1175 0.1250 ( 4839 PWs) bands (ev): -44.3367 -44.3367 -44.3233 -44.3233 -16.4297 -16.4297 -16.3785 -16.3785 -16.2487 -16.2487 -16.2034 -16.2034 -16.1837 -16.1837 -16.1421 -16.1421 -11.4792 -11.4792 -10.7250 -10.7250 -2.3929 -2.3929 -2.1168 -2.1168 -0.8600 -0.8600 -0.4689 -0.4689 -0.0176 -0.0176 0.0961 0.0961 3.2294 3.2294 4.4224 4.4224 4.5823 4.5823 5.0713 5.0713 5.2180 5.2180 7.4114 7.4114 10.9753 10.9753 12.4676 12.4676 13.8417 13.8417 k =-0.0373 0.1028 0.1094 ( 4843 PWs) bands (ev): -44.3368 -44.3368 -44.3232 -44.3232 -16.4297 -16.4297 -16.3778 -16.3778 -16.2487 -16.2487 -16.2023 -16.2023 -16.1840 -16.1840 -16.1414 -16.1414 -11.4827 -11.4827 -10.7275 -10.7275 -2.3954 -2.3954 -2.1192 -2.1192 -0.8594 -0.8594 -0.4684 -0.4684 -0.0135 -0.0135 0.0777 0.0777 3.2285 3.2285 4.4524 4.4524 4.5841 4.5841 5.0855 5.0855 5.2219 5.2219 7.3896 7.3896 10.9415 10.9415 12.4752 12.4752 13.9678 13.9678 k =-0.0320 0.0881 0.0937 ( 4843 PWs) bands (ev): -44.3369 -44.3369 -44.3232 -44.3232 -16.4297 -16.4297 -16.3772 -16.3772 -16.2487 -16.2487 -16.2013 -16.2013 -16.1843 -16.1843 -16.1407 -16.1407 -11.4859 -11.4859 -10.7297 -10.7297 -2.3977 -2.3977 -2.1214 -2.1214 -0.8589 -0.8589 -0.4680 -0.4680 -0.0099 -0.0099 0.0618 0.0618 3.2276 3.2276 4.4781 4.4781 4.5866 4.5866 5.0971 5.0971 5.2261 5.2261 7.3701 7.3701 10.9119 10.9119 12.4792 12.4792 14.0821 14.0821 k =-0.0266 0.0734 0.0781 ( 4851 PWs) bands (ev): -44.3369 -44.3369 -44.3232 -44.3232 -16.4297 -16.4297 -16.3767 -16.3767 -16.2487 -16.2487 -16.2004 -16.2004 -16.1847 -16.1847 -16.1402 -16.1402 -11.4885 -11.4885 -10.7316 -10.7316 -2.3996 -2.3996 -2.1233 -2.1233 -0.8585 -0.8585 -0.4677 -0.4677 -0.0068 -0.0068 0.0486 0.0486 3.2268 3.2268 4.4991 4.4991 4.5901 4.5901 5.1062 5.1062 5.2306 5.2306 7.3533 7.3533 10.8866 10.8866 12.4808 12.4808 14.1802 14.1802 k =-0.0213 0.0587 0.0625 ( 4847 PWs) bands (ev): -44.3370 -44.3370 -44.3232 -44.3232 -16.4297 -16.4297 -16.3762 -16.3762 -16.2487 -16.2487 -16.1996 -16.1996 -16.1850 -16.1850 -16.1397 -16.1397 -11.4907 -11.4907 -10.7332 -10.7332 -2.4013 -2.4013 -2.1248 -2.1248 -0.8581 -0.8581 -0.4675 -0.4675 -0.0043 -0.0043 0.0378 0.0378 3.2262 3.2262 4.5150 4.5150 4.5945 4.5945 5.1133 5.1133 5.2349 5.2349 7.3391 7.3391 10.8657 10.8657 12.4812 12.4812 14.2594 14.2594 k =-0.0160 0.0441 0.0469 ( 4855 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4297 -16.4297 -16.3759 -16.3759 -16.2487 -16.2487 -16.1990 -16.1990 -16.1852 -16.1852 -16.1394 -16.1394 -11.4924 -11.4924 -10.7344 -10.7344 -2.4026 -2.4026 -2.1261 -2.1261 -0.8578 -0.8578 -0.4673 -0.4673 -0.0023 -0.0023 0.0294 0.0294 3.2257 3.2257 4.5261 4.5261 4.5994 4.5994 5.1183 5.1183 5.2387 5.2387 7.3279 7.3279 10.8493 10.8493 12.4809 12.4809 14.3188 14.3188 k =-0.0107 0.0294 0.0312 ( 4851 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4297 -16.4297 -16.3757 -16.3757 -16.2487 -16.2487 -16.1985 -16.1985 -16.1854 -16.1854 -16.1391 -16.1391 -11.4937 -11.4937 -10.7353 -10.7353 -2.4036 -2.4036 -2.1269 -2.1269 -0.8576 -0.8576 -0.4671 -0.4671 -0.0009 -0.0009 0.0235 0.0235 3.2253 3.2253 4.5332 4.5332 4.6040 4.6040 5.1218 5.1218 5.2416 5.2416 7.3198 7.3198 10.8376 10.8376 12.4804 12.4804 14.3594 14.3594 k =-0.0053 0.0147 0.0156 ( 4863 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4297 -16.4297 -16.3756 -16.3756 -16.2487 -16.2487 -16.1982 -16.1982 -16.1856 -16.1856 -16.1390 -16.1390 -11.4944 -11.4944 -10.7358 -10.7358 -2.4041 -2.4041 -2.1275 -2.1275 -0.8575 -0.8575 -0.4671 -0.4671 -0.0001 -0.0001 0.0200 0.0200 3.2251 3.2251 4.5370 4.5370 4.6072 4.6072 5.1237 5.1237 5.2435 5.2435 7.3149 7.3149 10.8305 10.8305 12.4800 12.4800 14.3828 14.3828 k = 0.0000 0.0000 0.0000 ( 4869 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4297 -16.4297 -16.3755 -16.3755 -16.2487 -16.2487 -16.1981 -16.1981 -16.1857 -16.1857 -16.1390 -16.1390 -11.4947 -11.4947 -10.7360 -10.7360 -2.4043 -2.4043 -2.1277 -2.1277 -0.8574 -0.8574 -0.4670 -0.4670 0.0002 0.0002 0.0188 0.0188 3.2250 3.2250 4.5382 4.5382 4.6083 4.6083 5.1243 5.1243 5.2442 5.2442 7.3132 7.3132 10.8282 10.8282 12.4798 12.4798 14.3905 14.3905 k = 0.0000 0.0000 0.0000 ( 4869 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4297 -16.4297 -16.3755 -16.3755 -16.2487 -16.2487 -16.1981 -16.1981 -16.1857 -16.1857 -16.1390 -16.1390 -11.4947 -11.4947 -10.7360 -10.7360 -2.4043 -2.4043 -2.1277 -2.1277 -0.8574 -0.8574 -0.4670 -0.4670 0.0002 0.0002 0.0188 0.0188 3.2250 3.2250 4.5382 4.5382 4.6083 4.6083 5.1243 5.1243 5.2442 5.2442 7.3132 7.3132 10.8282 10.8282 12.4798 12.4798 14.3905 14.3905 k = 0.0208 0.0076-0.0000 ( 4857 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4297 -16.4297 -16.3755 -16.3755 -16.2487 -16.2487 -16.1981 -16.1981 -16.1856 -16.1856 -16.1389 -16.1389 -11.4942 -11.4942 -10.7365 -10.7365 -2.4040 -2.4040 -2.1277 -2.1277 -0.8571 -0.8571 -0.4670 -0.4670 0.0002 0.0002 0.0192 0.0192 3.2219 3.2219 4.5375 4.5375 4.6076 4.6076 5.1252 5.1252 5.2450 5.2450 7.3177 7.3177 10.8229 10.8229 12.4854 12.4854 14.3902 14.3902 k = 0.0417 0.0151-0.0000 ( 4857 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4296 -16.4296 -16.3755 -16.3755 -16.2486 -16.2486 -16.1981 -16.1981 -16.1856 -16.1856 -16.1389 -16.1389 -11.4930 -11.4930 -10.7380 -10.7380 -2.4029 -2.4029 -2.1277 -2.1277 -0.8561 -0.8561 -0.4670 -0.4670 0.0002 0.0002 0.0205 0.0205 3.2125 3.2125 4.5354 4.5354 4.6056 4.6056 5.1276 5.1276 5.2473 5.2473 7.3308 7.3308 10.8071 10.8071 12.5020 12.5020 14.3892 14.3892 k = 0.0625 0.0227-0.0000 ( 4857 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4296 -16.4296 -16.3756 -16.3756 -16.2486 -16.2486 -16.1981 -16.1981 -16.1856 -16.1856 -16.1389 -16.1389 -11.4910 -11.4910 -10.7405 -10.7405 -2.4012 -2.4012 -2.1277 -2.1277 -0.8546 -0.8546 -0.4670 -0.4670 0.0002 0.0002 0.0225 0.0225 3.1971 3.1971 4.5319 4.5319 4.6021 4.6021 5.1316 5.1316 5.2512 5.2512 7.3526 7.3526 10.7815 10.7815 12.5291 12.5291 14.3876 14.3876 k = 0.0833 0.0302-0.0000 ( 4849 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4295 -16.4295 -16.3756 -16.3756 -16.2486 -16.2486 -16.1982 -16.1982 -16.1856 -16.1856 -16.1389 -16.1389 -11.4882 -11.4882 -10.7439 -10.7439 -2.3988 -2.3988 -2.1277 -2.1277 -0.8524 -0.8524 -0.4669 -0.4669 0.0002 0.0002 0.0254 0.0254 3.1760 3.1760 4.5273 4.5273 4.5975 4.5975 5.1371 5.1371 5.2565 5.2565 7.3826 7.3826 10.7467 10.7467 12.5660 12.5660 14.3855 14.3855 k = 0.1042 0.0378-0.0000 ( 4853 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4295 -16.4295 -16.3757 -16.3757 -16.2485 -16.2485 -16.1983 -16.1983 -16.1856 -16.1856 -16.1390 -16.1390 -11.4846 -11.4846 -10.7482 -10.7482 -2.3958 -2.3958 -2.1277 -2.1277 -0.8497 -0.8497 -0.4669 -0.4669 0.0003 0.0003 0.0291 0.0291 3.1497 3.1497 4.5216 4.5216 4.5918 4.5918 5.1438 5.1438 5.2630 5.2630 7.4205 7.4205 10.7037 10.7037 12.6116 12.6116 14.3828 14.3828 k = 0.1250 0.0454-0.0000 ( 4833 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4294 -16.4294 -16.3758 -16.3758 -16.2485 -16.2485 -16.1982 -16.1982 -16.1855 -16.1855 -16.1388 -16.1388 -11.4803 -11.4803 -10.7534 -10.7534 -2.3922 -2.3922 -2.1277 -2.1277 -0.8465 -0.8465 -0.4668 -0.4668 0.0003 0.0003 0.0335 0.0335 3.1187 3.1187 4.5149 4.5149 4.5852 4.5852 5.1517 5.1517 5.2706 5.2706 7.4659 7.4659 10.6534 10.6534 12.6651 12.6651 14.3796 14.3796 k = 0.1458 0.0529-0.0000 ( 4825 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4293 -16.4293 -16.3759 -16.3759 -16.2485 -16.2485 -16.1982 -16.1982 -16.1855 -16.1855 -16.1388 -16.1388 -11.4753 -11.4753 -10.7594 -10.7594 -2.3882 -2.3882 -2.1276 -2.1276 -0.8429 -0.8429 -0.4667 -0.4667 0.0003 0.0003 0.0388 0.0388 3.0836 3.0836 4.5076 4.5076 4.5778 4.5778 5.1604 5.1604 5.2791 5.2791 7.5181 7.5181 10.5968 10.5968 12.7257 12.7257 14.3760 14.3760 k = 0.1667 0.0605-0.0000 ( 4837 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4293 -16.4293 -16.3760 -16.3760 -16.2485 -16.2485 -16.1983 -16.1983 -16.1856 -16.1856 -16.1388 -16.1388 -11.4697 -11.4697 -10.7662 -10.7662 -2.3837 -2.3837 -2.1276 -2.1276 -0.8388 -0.8388 -0.4666 -0.4666 0.0004 0.0004 0.0448 0.0448 3.0452 3.0452 4.4996 4.4996 4.5698 4.5698 5.1699 5.1699 5.2883 5.2883 7.5766 7.5766 10.5347 10.5347 12.7924 12.7924 14.3720 14.3720 k = 0.1875 0.0680-0.0000 ( 4829 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4292 -16.4292 -16.3761 -16.3761 -16.2484 -16.2484 -16.1984 -16.1984 -16.1856 -16.1856 -16.1388 -16.1388 -11.4636 -11.4636 -10.7736 -10.7736 -2.3789 -2.3789 -2.1276 -2.1276 -0.8344 -0.8344 -0.4665 -0.4665 0.0004 0.0004 0.0514 0.0514 3.0041 3.0041 4.4912 4.4912 4.5614 4.5614 5.1798 5.1798 5.2979 5.2980 7.6409 7.6409 10.4678 10.4678 12.8645 12.8645 14.3677 14.3677 k = 0.2083 0.0756-0.0000 ( 4841 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4291 -16.4291 -16.3764 -16.3764 -16.2484 -16.2484 -16.1986 -16.1986 -16.1856 -16.1856 -16.1388 -16.1388 -11.4570 -11.4570 -10.7815 -10.7815 -2.3739 -2.3739 -2.1276 -2.1276 -0.8298 -0.8298 -0.4664 -0.4664 0.0004 0.0004 0.0587 0.0587 2.9609 2.9609 4.4826 4.4826 4.5528 4.5528 5.1901 5.1901 5.3079 5.3079 7.7101 7.7101 10.3969 10.3969 12.9414 12.9414 14.3633 14.3633 k = 0.2292 0.0832-0.0000 ( 4857 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4291 -16.4291 -16.3766 -16.3766 -16.2484 -16.2484 -16.1987 -16.1987 -16.1857 -16.1857 -16.1389 -16.1389 -11.4499 -11.4499 -10.7899 -10.7899 -2.3687 -2.3687 -2.1276 -2.1276 -0.8249 -0.8249 -0.4663 -0.4663 0.0005 0.0005 0.0666 0.0666 2.9165 2.9165 4.4739 4.4739 4.5440 4.5440 5.2004 5.2004 5.3180 5.3180 7.7839 7.7839 10.3224 10.3224 13.0226 13.0226 14.3587 14.3587 k = 0.2500 0.0907-0.0000 ( 4869 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4291 -16.4291 -16.3768 -16.3768 -16.2484 -16.2484 -16.1988 -16.1988 -16.1857 -16.1857 -16.1389 -16.1389 -11.4426 -11.4426 -10.7986 -10.7986 -2.3634 -2.3634 -2.1276 -2.1276 -0.8200 -0.8200 -0.4662 -0.4662 0.0005 0.0005 0.0749 0.0749 2.8717 2.8717 4.4653 4.4653 4.5354 4.5354 5.2108 5.2108 5.3281 5.3281 7.8615 7.8615 10.2450 10.2450 13.1075 13.1075 14.3541 14.3541 k = 0.2708 0.0983-0.0000 ( 4869 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4291 -16.4291 -16.3769 -16.3769 -16.2484 -16.2484 -16.1989 -16.1989 -16.1857 -16.1857 -16.1389 -16.1389 -11.4351 -11.4351 -10.8075 -10.8075 -2.3582 -2.3582 -2.1276 -2.1276 -0.8151 -0.8151 -0.4661 -0.4661 0.0006 0.0006 0.0835 0.0835 2.8271 2.8271 4.4569 4.4569 4.5270 4.5270 5.2209 5.2209 5.3380 5.3380 7.9424 7.9424 10.1652 10.1652 13.1958 13.1958 14.3497 14.3497 k = 0.2917 0.1058-0.0000 ( 4853 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4290 -16.4290 -16.3769 -16.3769 -16.2483 -16.2483 -16.1989 -16.1989 -16.1857 -16.1857 -16.1389 -16.1389 -11.4274 -11.4274 -10.8165 -10.8165 -2.3530 -2.3530 -2.1276 -2.1276 -0.8103 -0.8103 -0.4660 -0.4660 0.0006 0.0006 0.0924 0.0924 2.7835 2.7835 4.4489 4.4489 4.5189 4.5189 5.2306 5.2306 5.3475 5.3475 8.0259 8.0259 10.0834 10.0834 13.2869 13.2869 14.3455 14.3455 k = 0.3125 0.1134-0.0000 ( 4853 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4289 -16.4289 -16.3771 -16.3771 -16.2483 -16.2483 -16.1990 -16.1990 -16.1857 -16.1857 -16.1389 -16.1389 -11.4199 -11.4199 -10.8253 -10.8253 -2.3481 -2.3481 -2.1276 -2.1276 -0.8056 -0.8056 -0.4659 -0.4659 0.0007 0.0007 0.1014 0.1014 2.7415 2.7415 4.4413 4.4413 4.5112 4.5112 5.2398 5.2398 5.3565 5.3565 8.1112 8.1112 10.0001 10.0001 13.3805 13.3805 14.3418 14.3418 k = 0.3333 0.1210-0.0000 ( 4861 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4288 -16.4288 -16.3773 -16.3773 -16.2483 -16.2483 -16.1991 -16.1991 -16.1857 -16.1857 -16.1389 -16.1389 -11.4125 -11.4125 -10.8339 -10.8339 -2.3434 -2.3434 -2.1276 -2.1276 -0.8012 -0.8012 -0.4658 -0.4658 0.0007 0.0007 0.1102 0.1102 2.7018 2.7018 4.4343 4.4343 4.5041 4.5041 5.2484 5.2484 5.3649 5.3649 8.1976 8.1976 9.9160 9.9160 13.4760 13.4760 14.3386 14.3386 k = 0.3542 0.1285-0.0000 ( 4873 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4289 -16.4289 -16.3774 -16.3774 -16.2483 -16.2483 -16.1992 -16.1992 -16.1857 -16.1857 -16.1389 -16.1389 -11.4055 -11.4055 -10.8421 -10.8421 -2.3391 -2.3391 -2.1276 -2.1276 -0.7971 -0.7971 -0.4657 -0.4657 0.0008 0.0008 0.1186 0.1186 2.6651 2.6651 4.4279 4.4279 4.4976 4.4976 5.2562 5.2562 5.3725 5.3725 8.2844 8.2844 9.8316 9.8316 13.5728 13.5728 14.3363 14.3363 k = 0.3750 0.1361-0.0000 ( 4864 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4288 -16.4288 -16.3775 -16.3775 -16.2482 -16.2482 -16.1993 -16.1993 -16.1857 -16.1857 -16.1389 -16.1389 -11.3989 -11.3989 -10.8497 -10.8497 -2.3352 -2.3352 -2.1276 -2.1276 -0.7934 -0.7934 -0.4656 -0.4656 0.0008 0.0008 0.1265 0.1265 2.6319 2.6319 4.4222 4.4222 4.4919 4.4919 5.2632 5.2632 5.3794 5.3794 8.3703 8.3703 9.7481 9.7481 13.6700 13.6700 14.3352 14.3352 k = 0.3958 0.1437-0.0000 ( 4864 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4287 -16.4287 -16.3776 -16.3776 -16.2482 -16.2482 -16.1993 -16.1993 -16.1857 -16.1857 -16.1389 -16.1389 -11.3930 -11.3930 -10.8565 -10.8565 -2.3318 -2.3318 -2.1276 -2.1276 -0.7902 -0.7902 -0.4655 -0.4655 0.0008 0.0008 0.1337 0.1337 2.6027 2.6027 4.4173 4.4173 4.4869 4.4869 5.2692 5.2692 5.3853 5.3853 8.4541 8.4541 9.6667 9.6667 13.7664 13.7664 14.3360 14.3360 k = 0.4167 0.1512-0.0000 ( 4848 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4285 -16.4285 -16.3777 -16.3777 -16.2481 -16.2481 -16.1993 -16.1993 -16.1856 -16.1856 -16.1389 -16.1389 -11.3880 -11.3880 -10.8623 -10.8623 -2.3290 -2.3290 -2.1276 -2.1276 -0.7875 -0.7875 -0.4655 -0.4655 0.0009 0.0009 0.1399 0.1399 2.5782 2.5782 4.4132 4.4132 4.4828 4.4828 5.2743 5.2743 5.3902 5.3902 8.5335 8.5335 9.5893 9.5893 13.8596 13.8596 14.3397 14.3397 k = 0.4375 0.1588-0.0000 ( 4848 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4285 -16.4285 -16.3778 -16.3778 -16.2481 -16.2481 -16.1994 -16.1994 -16.1856 -16.1856 -16.1389 -16.1389 -11.3838 -11.3838 -10.8670 -10.8670 -2.3267 -2.3267 -2.1276 -2.1276 -0.7853 -0.7853 -0.4654 -0.4654 0.0009 0.0009 0.1450 0.1450 2.5587 2.5587 4.4100 4.4100 4.4795 4.4795 5.2783 5.2783 5.3941 5.3941 8.6055 8.6055 9.5190 9.5190 13.9458 13.9458 14.3481 14.3481 k = 0.4583 0.1663-0.0000 ( 4852 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4285 -16.4285 -16.3778 -16.3778 -16.2481 -16.2481 -16.1994 -16.1994 -16.1856 -16.1856 -16.1389 -16.1389 -11.3808 -11.3808 -10.8705 -10.8705 -2.3251 -2.3251 -2.1276 -2.1276 -0.7837 -0.7837 -0.4654 -0.4654 0.0009 0.0009 0.1487 0.1487 2.5444 2.5444 4.4077 4.4077 4.4772 4.4772 5.2812 5.2812 5.3969 5.3969 8.6652 8.6652 9.4605 9.4605 14.0183 14.0183 14.3637 14.3637 k = 0.4792 0.1739-0.0000 ( 4856 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4285 -16.4285 -16.3779 -16.3779 -16.2481 -16.2481 -16.1995 -16.1995 -16.1856 -16.1856 -16.1390 -16.1390 -11.3789 -11.3789 -10.8726 -10.8726 -2.3241 -2.3241 -2.1276 -2.1276 -0.7828 -0.7828 -0.4653 -0.4653 0.0009 0.0009 0.1510 0.1510 2.5358 2.5358 4.4063 4.4063 4.4758 4.4758 5.2829 5.2829 5.3986 5.3986 8.7059 8.7059 9.4205 9.4205 14.0675 14.0675 14.3856 14.3856 k = 0.5000 0.1815-0.0000 ( 4856 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4285 -16.4285 -16.3779 -16.3779 -16.2481 -16.2481 -16.1995 -16.1995 -16.1856 -16.1856 -16.1390 -16.1390 -11.3783 -11.3783 -10.8733 -10.8733 -2.3237 -2.3237 -2.1276 -2.1276 -0.7825 -0.7825 -0.4653 -0.4653 0.0009 0.0009 0.1518 0.1518 2.5329 2.5329 4.4058 4.4058 4.4753 4.4753 5.2835 5.2835 5.3992 5.3992 8.7206 8.7206 9.4061 9.4061 14.0849 14.0849 14.3986 14.3986 k = 0.5000 0.1815-0.0000 ( 4856 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4285 -16.4285 -16.3779 -16.3779 -16.2481 -16.2481 -16.1995 -16.1995 -16.1856 -16.1856 -16.1390 -16.1390 -11.3783 -11.3783 -10.8733 -10.8733 -2.3237 -2.3237 -2.1276 -2.1276 -0.7825 -0.7825 -0.4653 -0.4653 0.0009 0.0009 0.1518 0.1518 2.5329 2.5329 4.4058 4.4058 4.4753 4.4753 5.2835 5.2835 5.3992 5.3992 8.7206 8.7206 9.4061 9.4061 14.0849 14.0849 14.3986 14.3986 k = 0.4946 0.1964 0.0159 ( 4852 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4285 -16.4285 -16.3779 -16.3779 -16.2481 -16.2481 -16.1996 -16.1996 -16.1856 -16.1856 -16.1390 -16.1390 -11.3781 -11.3781 -10.8731 -10.8731 -2.3236 -2.3236 -2.1274 -2.1274 -0.7824 -0.7824 -0.4654 -0.4654 0.0006 0.0006 0.1527 0.1527 2.5333 2.5333 4.4050 4.4050 4.4745 4.4745 5.2826 5.2826 5.3983 5.3983 8.7202 8.7202 9.4092 9.4092 14.0835 14.0835 14.3900 14.3900 k = 0.4891 0.2114 0.0318 ( 4848 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4285 -16.4285 -16.3780 -16.3780 -16.2480 -16.2480 -16.1998 -16.1998 -16.1854 -16.1854 -16.1391 -16.1391 -11.3776 -11.3776 -10.8723 -10.8723 -2.3231 -2.3231 -2.1268 -2.1268 -0.7823 -0.7823 -0.4654 -0.4654 -0.0002 -0.0002 0.1556 0.1556 2.5343 2.5343 4.4025 4.4025 4.4723 4.4723 5.2798 5.2798 5.3958 5.3958 8.7190 8.7190 9.4184 9.4184 14.0786 14.0786 14.3657 14.3657 k = 0.4837 0.2264 0.0478 ( 4848 PWs) bands (ev): -44.3370 -44.3370 -44.3232 -44.3232 -16.4285 -16.4285 -16.3783 -16.3783 -16.2481 -16.2481 -16.2003 -16.2003 -16.1852 -16.1852 -16.1394 -16.1394 -11.3767 -11.3767 -10.8709 -10.8709 -2.3222 -2.3222 -2.1259 -2.1259 -0.7821 -0.7821 -0.4656 -0.4656 -0.0016 -0.0016 0.1603 0.1603 2.5361 2.5361 4.3980 4.3980 4.4691 4.4691 5.2750 5.2750 5.3919 5.3919 8.7170 8.7170 9.4337 9.4337 14.0675 14.0675 14.3298 14.3298 k = 0.4783 0.2413 0.0637 ( 4856 PWs) bands (ev): -44.3370 -44.3370 -44.3232 -44.3232 -16.4286 -16.4286 -16.3786 -16.3786 -16.2481 -16.2481 -16.2010 -16.2010 -16.1850 -16.1850 -16.1398 -16.1398 -11.3754 -11.3754 -10.8691 -10.8691 -2.3211 -2.3211 -2.1246 -2.1246 -0.7818 -0.7818 -0.4657 -0.4657 -0.0035 -0.0035 0.1670 0.1670 2.5386 2.5386 4.3909 4.3909 4.4655 4.4655 5.2678 5.2678 5.3869 5.3869 8.7141 8.7141 9.4550 9.4550 14.0446 14.0446 14.2890 14.2890 k = 0.4728 0.2563 0.0796 ( 4852 PWs) bands (ev): -44.3369 -44.3369 -44.3232 -44.3232 -16.4286 -16.4286 -16.3791 -16.3791 -16.2481 -16.2481 -16.2018 -16.2018 -16.1847 -16.1847 -16.1402 -16.1402 -11.3738 -11.3738 -10.8667 -10.8667 -2.3196 -2.3196 -2.1229 -2.1229 -0.7815 -0.7815 -0.4659 -0.4659 -0.0060 -0.0060 0.1756 0.1756 2.5418 2.5418 4.3808 4.3808 4.4621 4.4621 5.2580 5.2580 5.3813 5.3813 8.7102 8.7102 9.4822 9.4822 14.0003 14.0003 14.2528 14.2528 k = 0.4674 0.2712 0.0955 ( 4860 PWs) bands (ev): -44.3369 -44.3369 -44.3233 -44.3233 -16.4287 -16.4287 -16.3796 -16.3796 -16.2482 -16.2482 -16.2027 -16.2027 -16.1844 -16.1844 -16.1408 -16.1408 -11.3719 -11.3719 -10.8638 -10.8638 -2.3179 -2.3179 -2.1210 -2.1210 -0.7811 -0.7811 -0.4662 -0.4662 -0.0090 -0.0090 0.1863 0.1863 2.5457 2.5457 4.3670 4.3670 4.4592 4.4592 5.2453 5.2453 5.3756 5.3756 8.7054 8.7054 9.5149 9.5149 13.9273 13.9273 14.2293 14.2293 k = 0.4620 0.2862 0.1114 ( 4864 PWs) bands (ev): -44.3368 -44.3368 -44.3233 -44.3233 -16.4288 -16.4288 -16.3802 -16.3802 -16.2483 -16.2483 -16.2038 -16.2038 -16.1841 -16.1841 -16.1415 -16.1415 -11.3696 -11.3696 -10.8604 -10.8604 -2.3160 -2.3160 -2.1187 -2.1187 -0.7806 -0.7806 -0.4665 -0.4665 -0.0125 -0.0125 0.1991 0.1991 2.5503 2.5503 4.3498 4.3498 4.4573 4.4573 5.2295 5.2295 5.3701 5.3701 8.6996 8.6996 9.5532 9.5532 13.8266 13.8266 14.2187 14.2187 k = 0.4566 0.3012 0.1274 ( 4860 PWs) bands (ev): -44.3367 -44.3367 -44.3233 -44.3233 -16.4288 -16.4288 -16.3809 -16.3809 -16.2483 -16.2483 -16.2049 -16.2049 -16.1838 -16.1838 -16.1422 -16.1422 -11.3670 -11.3670 -10.8565 -10.8565 -2.3140 -2.3140 -2.1161 -2.1161 -0.7802 -0.7802 -0.4669 -0.4669 -0.0165 -0.0165 0.2141 0.2141 2.5555 2.5555 4.3291 4.3291 4.4562 4.4562 5.2106 5.2106 5.3651 5.3651 8.6926 8.6926 9.5966 9.5966 13.7039 13.7039 14.2170 14.2170 k = 0.4511 0.3161 0.1433 ( 4860 PWs) bands (ev): -44.3366 -44.3366 -44.3233 -44.3233 -16.4289 -16.4289 -16.3817 -16.3817 -16.2484 -16.2484 -16.2061 -16.2061 -16.1835 -16.1835 -16.1429 -16.1429 -11.3641 -11.3641 -10.8522 -10.8522 -2.3118 -2.3118 -2.1132 -2.1132 -0.7796 -0.7796 -0.4673 -0.4673 -0.0210 -0.0210 0.2313 0.2313 2.5614 2.5614 4.3052 4.3052 4.4558 4.4558 5.1887 5.1887 5.3607 5.3607 8.6843 8.6843 9.6451 9.6451 13.5647 13.5647 14.2210 14.2210 k = 0.4457 0.3311 0.1592 ( 4852 PWs) bands (ev): -44.3364 -44.3364 -44.3233 -44.3233 -16.4290 -16.4290 -16.3826 -16.3826 -16.2485 -16.2485 -16.2073 -16.2073 -16.1832 -16.1832 -16.1437 -16.1437 -11.3610 -11.3610 -10.8474 -10.8474 -2.3095 -2.3095 -2.1101 -2.1101 -0.7791 -0.7791 -0.4678 -0.4678 -0.0258 -0.0258 0.2508 0.2508 2.5680 2.5680 4.2785 4.2785 4.4559 4.4559 5.1642 5.1642 5.3567 5.3567 8.6746 8.6746 9.6983 9.6983 13.4132 13.4132 14.2287 14.2287 k = 0.4403 0.3461 0.1751 ( 4848 PWs) bands (ev): -44.3363 -44.3363 -44.3234 -44.3234 -16.4291 -16.4291 -16.3836 -16.3836 -16.2485 -16.2485 -16.2086 -16.2086 -16.1829 -16.1829 -16.1446 -16.1446 -11.3575 -11.3575 -10.8422 -10.8422 -2.3071 -2.3071 -2.1068 -2.1068 -0.7786 -0.7786 -0.4684 -0.4684 -0.0310 -0.0310 0.2726 0.2726 2.5751 2.5751 4.2492 4.2492 4.4566 4.4566 5.1373 5.1373 5.3532 5.3532 8.6635 8.6635 9.7559 9.7559 13.2526 13.2526 14.2393 14.2393 k = 0.4348 0.3610 0.1910 ( 4852 PWs) bands (ev): -44.3361 -44.3361 -44.3234 -44.3234 -16.4293 -16.4293 -16.3846 -16.3846 -16.2487 -16.2487 -16.2099 -16.2099 -16.1827 -16.1827 -16.1456 -16.1456 -11.3538 -11.3538 -10.8366 -10.8366 -2.3048 -2.3048 -2.1034 -2.1034 -0.7781 -0.7781 -0.4689 -0.4689 -0.0366 -0.0366 0.2970 0.2970 2.5828 2.5828 4.2174 4.2174 4.4575 4.4575 5.1083 5.1083 5.3501 5.3501 8.6506 8.6506 9.8178 9.8178 13.0854 13.0854 14.2522 14.2522 k = 0.4294 0.3760 0.2070 ( 4848 PWs) bands (ev): -44.3360 -44.3360 -44.3234 -44.3234 -16.4294 -16.4294 -16.3858 -16.3858 -16.2488 -16.2488 -16.2113 -16.2113 -16.1826 -16.1826 -16.1465 -16.1465 -11.3499 -11.3499 -10.8305 -10.8305 -2.3025 -2.3025 -2.0999 -2.0999 -0.7777 -0.7777 -0.4696 -0.4696 -0.0424 -0.0424 0.3238 0.3238 2.5911 2.5911 4.1836 4.1836 4.4588 4.4588 5.0777 5.0777 5.3473 5.3473 8.6359 8.6359 9.8836 9.8836 12.9138 12.9138 14.2671 14.2671 k = 0.4240 0.3910 0.2229 ( 4846 PWs) bands (ev): -44.3358 -44.3358 -44.3235 -44.3235 -16.4296 -16.4296 -16.3870 -16.3870 -16.2490 -16.2490 -16.2127 -16.2127 -16.1824 -16.1824 -16.1475 -16.1475 -11.3457 -11.3457 -10.8242 -10.8242 -2.3003 -2.3003 -2.0963 -2.0963 -0.7773 -0.7773 -0.4702 -0.4702 -0.0485 -0.0485 0.3532 0.3532 2.5999 2.5999 4.1478 4.1478 4.4604 4.4604 5.0457 5.0457 5.3446 5.3446 8.6192 8.6192 9.9530 9.9530 12.7394 12.7394 14.2837 14.2837 k = 0.4185 0.4059 0.2388 ( 4842 PWs) bands (ev): -44.3356 -44.3356 -44.3235 -44.3235 -16.4297 -16.4297 -16.3882 -16.3882 -16.2492 -16.2492 -16.2141 -16.2141 -16.1823 -16.1823 -16.1484 -16.1484 -11.3413 -11.3413 -10.8174 -10.8174 -2.2981 -2.2981 -2.0928 -2.0928 -0.7770 -0.7770 -0.4709 -0.4709 -0.0548 -0.0548 0.3852 0.3852 2.6092 2.6092 4.1104 4.1104 4.4622 4.4622 5.0126 5.0126 5.3421 5.3421 8.6002 8.6002 10.0259 10.0259 12.5637 12.5637 14.3020 14.3020 k = 0.4131 0.4209 0.2547 ( 4850 PWs) bands (ev): -44.3354 -44.3354 -44.3235 -44.3235 -16.4300 -16.4300 -16.3896 -16.3896 -16.2494 -16.2494 -16.2156 -16.2156 -16.1823 -16.1823 -16.1495 -16.1495 -11.3368 -11.3368 -10.8104 -10.8104 -2.2961 -2.2961 -2.0893 -2.0893 -0.7767 -0.7767 -0.4716 -0.4716 -0.0613 -0.0613 0.4200 0.4200 2.6191 2.6191 4.0715 4.0715 4.4641 4.4641 4.9786 4.9786 5.3398 5.3398 8.5788 8.5788 10.1019 10.1019 12.3881 12.3881 14.3220 14.3220 k = 0.4077 0.4359 0.2706 ( 4846 PWs) bands (ev): -44.3352 -44.3352 -44.3236 -44.3236 -16.4302 -16.4302 -16.3910 -16.3910 -16.2497 -16.2497 -16.2171 -16.2171 -16.1822 -16.1822 -16.1504 -16.1504 -11.3321 -11.3321 -10.8031 -10.8031 -2.2942 -2.2942 -2.0859 -2.0859 -0.7766 -0.7766 -0.4724 -0.4724 -0.0679 -0.0679 0.4574 0.4574 2.6293 2.6293 4.0313 4.0313 4.4663 4.4663 4.9440 4.9440 5.3375 5.3375 8.5547 8.5547 10.1807 10.1807 12.2137 12.2137 14.3435 14.3435 k = 0.4022 0.4508 0.2866 ( 4846 PWs) bands (ev): -44.3350 -44.3350 -44.3237 -44.3237 -16.4305 -16.4305 -16.3925 -16.3925 -16.2500 -16.2500 -16.2186 -16.2186 -16.1822 -16.1822 -16.1514 -16.1514 -11.3273 -11.3273 -10.7955 -10.7955 -2.2924 -2.2924 -2.0826 -2.0826 -0.7766 -0.7766 -0.4731 -0.4731 -0.0745 -0.0745 0.4975 0.4975 2.6400 2.6400 3.9900 3.9900 4.4686 4.4686 4.9092 4.9092 5.3352 5.3352 8.5278 8.5278 10.2621 10.2621 12.0416 12.0416 14.3666 14.3666 k = 0.3968 0.4658 0.3025 ( 4842 PWs) bands (ev): -44.3348 -44.3348 -44.3237 -44.3237 -16.4308 -16.4308 -16.3940 -16.3940 -16.2503 -16.2503 -16.2201 -16.2201 -16.1821 -16.1821 -16.1523 -16.1523 -11.3224 -11.3224 -10.7877 -10.7877 -2.2908 -2.2908 -2.0796 -2.0796 -0.7768 -0.7768 -0.4739 -0.4739 -0.0812 -0.0812 0.5403 0.5403 2.6511 2.6511 3.9478 3.9478 4.4710 4.4710 4.8742 4.8742 5.3330 5.3330 8.4977 8.4977 10.3458 10.3458 11.8727 11.8727 14.3913 14.3913 k = 0.3914 0.4808 0.3184 ( 4840 PWs) bands (ev): -44.3346 -44.3346 -44.3238 -44.3238 -16.4311 -16.4311 -16.3955 -16.3955 -16.2506 -16.2506 -16.2215 -16.2215 -16.1821 -16.1821 -16.1532 -16.1532 -11.3175 -11.3175 -10.7798 -10.7798 -2.2894 -2.2894 -2.0768 -2.0768 -0.7771 -0.7771 -0.4746 -0.4746 -0.0879 -0.0879 0.5859 0.5859 2.6626 2.6626 3.9049 3.9049 4.4734 4.4734 4.8392 4.8392 5.3308 5.3308 8.4642 8.4642 10.4312 10.4312 11.7081 11.7081 14.4175 14.4175 k = 0.3859 0.4957 0.3343 ( 4836 PWs) bands (ev): -44.3343 -44.3343 -44.3238 -44.3238 -16.4314 -16.4314 -16.3971 -16.3971 -16.2510 -16.2510 -16.2230 -16.2230 -16.1820 -16.1820 -16.1541 -16.1541 -11.3125 -11.3125 -10.7716 -10.7716 -2.2882 -2.2882 -2.0743 -2.0743 -0.7776 -0.7776 -0.4753 -0.4753 -0.0944 -0.0944 0.6342 0.6342 2.6744 2.6744 3.8614 3.8614 4.4760 4.4760 4.8045 4.8045 5.3286 5.3286 8.4270 8.4270 10.5177 10.5177 11.5491 11.5491 14.4452 14.4452 k = 0.3805 0.5107 0.3502 ( 4836 PWs) bands (ev): -44.3341 -44.3341 -44.3239 -44.3239 -16.4317 -16.4317 -16.3988 -16.3988 -16.2514 -16.2514 -16.2245 -16.2245 -16.1820 -16.1820 -16.1549 -16.1549 -11.3074 -11.3074 -10.7634 -10.7634 -2.2872 -2.2872 -2.0720 -2.0720 -0.7782 -0.7782 -0.4761 -0.4761 -0.1010 -0.1010 0.6851 0.6851 2.6866 2.6866 3.8174 3.8174 4.4787 4.4787 4.7701 4.7701 5.3263 5.3263 8.3861 8.3861 10.6041 10.6041 11.3973 11.3973 14.4746 14.4746 k = 0.3751 0.5257 0.3662 ( 4836 PWs) bands (ev): -44.3338 -44.3338 -44.3240 -44.3240 -16.4321 -16.4321 -16.4005 -16.4005 -16.2518 -16.2518 -16.2260 -16.2260 -16.1820 -16.1820 -16.1558 -16.1558 -11.3024 -11.3024 -10.7550 -10.7550 -2.2863 -2.2863 -2.0701 -2.0701 -0.7791 -0.7791 -0.4767 -0.4767 -0.1073 -0.1073 0.7385 0.7385 2.6990 2.6990 3.7732 3.7732 4.4814 4.4814 4.7363 4.7363 5.3241 5.3241 8.3411 8.3411 10.6878 10.6878 11.2559 11.2559 14.5055 14.5055 k = 0.3697 0.5406 0.3821 ( 4844 PWs) bands (ev): -44.3336 -44.3336 -44.3241 -44.3241 -16.4325 -16.4325 -16.4022 -16.4022 -16.2522 -16.2522 -16.2275 -16.2275 -16.1819 -16.1819 -16.1566 -16.1566 -11.2974 -11.2974 -10.7466 -10.7466 -2.2857 -2.2857 -2.0685 -2.0685 -0.7801 -0.7801 -0.4774 -0.4774 -0.1136 -0.1136 0.7945 0.7945 2.7117 2.7117 3.7288 3.7288 4.4842 4.4842 4.7032 4.7032 5.3218 5.3218 8.2920 8.2920 10.7603 10.7603 11.1337 11.1337 14.5381 14.5381 k = 0.3642 0.5556 0.3980 ( 4844 PWs) bands (ev): -44.3333 -44.3333 -44.3242 -44.3242 -16.4329 -16.4329 -16.4039 -16.4039 -16.2526 -16.2526 -16.2289 -16.2289 -16.1818 -16.1818 -16.1574 -16.1574 -11.2925 -11.2925 -10.7382 -10.7382 -2.2852 -2.2852 -2.0673 -2.0673 -0.7813 -0.7813 -0.4780 -0.4780 -0.1196 -0.1196 0.8528 0.8528 2.7246 2.7246 3.6844 3.6844 4.4869 4.4869 4.6710 4.6710 5.3195 5.3195 8.2388 8.2388 10.7916 10.7916 11.0610 11.0610 14.5723 14.5723 k = 0.3588 0.5706 0.4139 ( 4840 PWs) bands (ev): -44.3331 -44.3331 -44.3243 -44.3243 -16.4333 -16.4333 -16.4056 -16.4056 -16.2531 -16.2531 -16.2303 -16.2303 -16.1817 -16.1817 -16.1582 -16.1582 -11.2877 -11.2877 -10.7297 -10.7297 -2.2849 -2.2849 -2.0663 -2.0663 -0.7828 -0.7828 -0.4786 -0.4786 -0.1254 -0.1254 0.9133 0.9133 2.7376 2.7376 3.6399 3.6399 4.4896 4.4896 4.6397 4.6397 5.3171 5.3171 8.1814 8.1814 10.7405 10.7405 11.0793 11.0793 14.6082 14.6082 k = 0.3534 0.5855 0.4299 ( 4854 PWs) bands (ev): -44.3328 -44.3328 -44.3244 -44.3244 -16.4338 -16.4338 -16.4074 -16.4074 -16.2535 -16.2535 -16.2318 -16.2318 -16.1816 -16.1816 -16.1589 -16.1589 -11.2830 -11.2830 -10.7213 -10.7213 -2.2848 -2.2848 -2.0657 -2.0657 -0.7844 -0.7844 -0.4791 -0.4791 -0.1311 -0.1311 0.9760 0.9760 2.7508 2.7508 3.5956 3.5956 4.4923 4.4923 4.6094 4.6094 5.3147 5.3147 8.1200 8.1200 10.6438 10.6438 11.1516 11.1516 14.6457 14.6457 k = 0.3479 0.6005 0.4458 ( 4860 PWs) bands (ev): -44.3325 -44.3325 -44.3245 -44.3245 -16.4342 -16.4342 -16.4091 -16.4091 -16.2540 -16.2540 -16.2332 -16.2332 -16.1814 -16.1814 -16.1597 -16.1597 -11.2784 -11.2784 -10.7130 -10.7130 -2.2849 -2.2849 -2.0654 -2.0654 -0.7863 -0.7863 -0.4796 -0.4796 -0.1364 -0.1364 1.0405 1.0405 2.7641 2.7641 3.5514 3.5514 4.4947 4.4947 4.5806 4.5806 5.3123 5.3123 8.0549 8.0549 10.5388 10.5388 11.2410 11.2410 14.6850 14.6850 k = 0.3425 0.6155 0.4617 ( 4856 PWs) bands (ev): -44.3322 -44.3322 -44.3246 -44.3246 -16.4346 -16.4346 -16.4108 -16.4108 -16.2544 -16.2544 -16.2345 -16.2345 -16.1812 -16.1812 -16.1604 -16.1604 -11.2741 -11.2741 -10.7048 -10.7048 -2.2851 -2.2851 -2.0653 -2.0653 -0.7883 -0.7883 -0.4801 -0.4801 -0.1415 -0.1415 1.1068 1.1068 2.7774 2.7774 3.5074 3.5074 4.4964 4.4964 4.5535 4.5535 5.3099 5.3099 7.9866 7.9866 10.4357 10.4357 11.3368 11.3368 14.7259 14.7259 k = 0.3371 0.6304 0.4776 ( 4844 PWs) bands (ev): -44.3320 -44.3320 -44.3247 -44.3247 -16.4349 -16.4349 -16.4124 -16.4124 -16.2547 -16.2547 -16.2358 -16.2358 -16.1809 -16.1809 -16.1611 -16.1611 -11.2699 -11.2699 -10.6968 -10.6968 -2.2855 -2.2855 -2.0655 -2.0655 -0.7905 -0.7905 -0.4805 -0.4805 -0.1464 -0.1464 1.1746 1.1746 2.7907 2.7907 3.4637 3.4637 4.4961 4.4961 4.5299 4.5299 5.3074 5.3074 7.9155 7.9155 10.3377 10.3377 11.4359 11.4359 14.7685 14.7685 k = 0.3316 0.6454 0.4935 ( 4838 PWs) bands (ev): -44.3317 -44.3317 -44.3249 -44.3249 -16.4353 -16.4353 -16.4141 -16.4141 -16.2549 -16.2549 -16.2371 -16.2371 -16.1806 -16.1806 -16.1618 -16.1618 -11.2659 -11.2659 -10.6888 -10.6888 -2.2860 -2.2860 -2.0658 -2.0658 -0.7929 -0.7929 -0.4809 -0.4809 -0.1510 -0.1510 1.2437 1.2437 2.8039 2.8039 3.4202 3.4202 4.4872 4.4872 4.5159 4.5159 5.3049 5.3049 7.8426 7.8426 10.2455 10.2455 11.5369 11.5369 14.8127 14.8127 k = 0.3262 0.6603 0.5095 ( 4842 PWs) bands (ev): -44.3314 -44.3314 -44.3250 -44.3250 -16.4357 -16.4357 -16.4157 -16.4157 -16.2552 -16.2552 -16.2384 -16.2384 -16.1803 -16.1803 -16.1625 -16.1625 -11.2622 -11.2622 -10.6811 -10.6811 -2.2867 -2.2867 -2.0664 -2.0664 -0.7954 -0.7954 -0.4812 -0.4812 -0.1553 -0.1553 1.3138 1.3138 2.8169 2.8169 3.3770 3.3770 4.4681 4.4681 4.5136 4.5136 5.3024 5.3024 7.7684 7.7684 10.1595 10.1595 11.6391 11.6391 14.8581 14.8581 k = 0.3208 0.6753 0.5254 ( 4838 PWs) bands (ev): -44.3311 -44.3311 -44.3251 -44.3251 -16.4359 -16.4359 -16.4173 -16.4173 -16.2555 -16.2555 -16.2396 -16.2396 -16.1799 -16.1799 -16.1632 -16.1632 -11.2588 -11.2588 -10.6737 -10.6737 -2.2876 -2.2876 -2.0671 -2.0671 -0.7981 -0.7981 -0.4815 -0.4815 -0.1593 -0.1593 1.3846 1.3846 2.8297 2.8297 3.3341 3.3341 4.4467 4.4467 4.5149 4.5149 5.2999 5.2999 7.6941 7.6941 10.0794 10.0794 11.7420 11.7420 14.9041 14.9041 k = 0.3153 0.6903 0.5413 ( 4842 PWs) bands (ev): -44.3308 -44.3308 -44.3253 -44.3253 -16.4362 -16.4362 -16.4189 -16.4189 -16.2557 -16.2557 -16.2408 -16.2408 -16.1795 -16.1795 -16.1639 -16.1639 -11.2557 -11.2557 -10.6665 -10.6665 -2.2885 -2.2885 -2.0679 -2.0679 -0.8010 -0.8010 -0.4818 -0.4818 -0.1630 -0.1630 1.4559 1.4559 2.8419 2.8419 3.2915 3.2915 4.4258 4.4258 4.5172 4.5172 5.2973 5.2973 7.6206 7.6206 10.0051 10.0051 11.8454 11.8454 14.9465 14.9465 k = 0.3099 0.7052 0.5572 ( 4846 PWs) bands (ev): -44.3306 -44.3306 -44.3255 -44.3255 -16.4364 -16.4364 -16.4204 -16.4204 -16.2558 -16.2558 -16.2420 -16.2420 -16.1790 -16.1790 -16.1646 -16.1646 -11.2528 -11.2528 -10.6595 -10.6595 -2.2895 -2.2895 -2.0688 -2.0688 -0.8039 -0.8039 -0.4820 -0.4820 -0.1665 -0.1665 1.5274 1.5274 2.8533 2.8533 3.2494 3.2494 4.4060 4.4060 4.5197 4.5197 5.2947 5.2947 7.5490 7.5490 9.9359 9.9359 11.9489 11.9489 14.9458 14.9458 k = 0.3045 0.7202 0.5731 ( 4836 PWs) bands (ev): -44.3303 -44.3303 -44.3256 -44.3256 -16.4366 -16.4366 -16.4219 -16.4219 -16.2558 -16.2558 -16.2431 -16.2431 -16.1785 -16.1785 -16.1652 -16.1652 -11.2504 -11.2504 -10.6529 -10.6529 -2.2907 -2.2907 -2.0697 -2.0697 -0.8069 -0.8069 -0.4822 -0.4822 -0.1697 -0.1697 1.5987 1.5987 2.8635 2.8635 3.2081 3.2081 4.3875 4.3875 4.5224 4.5224 5.2921 5.2921 7.4803 7.4803 9.8717 9.8717 12.0522 12.0522 14.8891 14.8891 k = 0.2990 0.7352 0.5891 ( 4838 PWs) bands (ev): -44.3300 -44.3300 -44.3258 -44.3258 -16.4366 -16.4366 -16.4233 -16.4233 -16.2559 -16.2559 -16.2442 -16.2442 -16.1780 -16.1780 -16.1660 -16.1660 -11.2482 -11.2482 -10.6466 -10.6466 -2.2919 -2.2919 -2.0706 -2.0706 -0.8100 -0.8100 -0.4824 -0.4824 -0.1726 -0.1726 1.6695 1.6695 2.8719 2.8719 3.1681 3.1681 4.3704 4.3704 4.5252 4.5252 5.2894 5.2894 7.4156 7.4156 9.8118 9.8118 12.1552 12.1552 14.8247 14.8247 k = 0.2936 0.7501 0.6050 ( 4838 PWs) bands (ev): -44.3297 -44.3297 -44.3260 -44.3260 -16.4367 -16.4367 -16.4246 -16.4246 -16.2558 -16.2558 -16.2453 -16.2453 -16.1775 -16.1775 -16.1667 -16.1667 -11.2465 -11.2465 -10.6407 -10.6407 -2.2932 -2.2932 -2.0715 -2.0715 -0.8132 -0.8132 -0.4826 -0.4826 -0.1753 -0.1753 1.7393 1.7393 2.8771 2.8771 3.1305 3.1305 4.3548 4.3548 4.5279 4.5279 5.2868 5.2868 7.3560 7.3560 9.7560 9.7560 12.2574 12.2574 14.7592 14.7592 k = 0.2882 0.7651 0.6209 ( 4842 PWs) bands (ev): -44.3295 -44.3295 -44.3262 -44.3262 -16.4367 -16.4367 -16.4259 -16.4259 -16.2557 -16.2557 -16.2463 -16.2463 -16.1769 -16.1769 -16.1673 -16.1673 -11.2451 -11.2451 -10.6352 -10.6352 -2.2945 -2.2945 -2.0724 -2.0724 -0.8164 -0.8164 -0.4827 -0.4827 -0.1777 -0.1777 1.8079 1.8079 2.8772 2.8772 3.0972 3.0972 4.3406 4.3406 4.5306 4.5306 5.2841 5.2841 7.3025 7.3025 9.7037 9.7037 12.3585 12.3585 14.6936 14.6936 k = 0.2828 0.7801 0.6368 ( 4844 PWs) bands (ev): -44.3292 -44.3292 -44.3264 -44.3264 -16.4366 -16.4366 -16.4271 -16.4271 -16.2555 -16.2555 -16.2473 -16.2473 -16.1764 -16.1764 -16.1680 -16.1680 -11.2442 -11.2442 -10.6300 -10.6300 -2.2959 -2.2959 -2.0732 -2.0732 -0.8196 -0.8196 -0.4829 -0.4829 -0.1798 -0.1798 1.8746 1.8746 2.8696 2.8696 3.0708 3.0708 4.3280 4.3280 4.5333 4.5333 5.2815 5.2815 7.2560 7.2560 9.6547 9.6547 12.4582 12.4582 14.6284 14.6284 k = 0.2773 0.7950 0.6527 ( 4840 PWs) bands (ev): -44.3289 -44.3289 -44.3266 -44.3266 -16.4363 -16.4363 -16.4282 -16.4282 -16.2553 -16.2553 -16.2482 -16.2482 -16.1758 -16.1758 -16.1687 -16.1687 -11.2436 -11.2436 -10.6253 -10.6253 -2.2972 -2.2972 -2.0739 -2.0739 -0.8229 -0.8229 -0.4830 -0.4830 -0.1817 -0.1817 1.9390 1.9390 2.8519 2.8519 3.0539 3.0539 4.3169 4.3169 4.5360 4.5360 5.2788 5.2788 7.2172 7.2172 9.6087 9.6087 12.5560 12.5560 14.5637 14.5637 k = 0.2719 0.8100 0.6687 ( 4834 PWs) bands (ev): -44.3287 -44.3287 -44.3268 -44.3268 -16.4360 -16.4360 -16.4293 -16.4293 -16.2550 -16.2550 -16.2490 -16.2490 -16.1751 -16.1751 -16.1694 -16.1694 -11.2435 -11.2435 -10.6210 -10.6210 -2.2986 -2.2986 -2.0745 -2.0745 -0.8261 -0.8261 -0.4831 -0.4831 -0.1833 -0.1833 2.0004 2.0004 2.8242 2.8242 3.0465 3.0465 4.3073 4.3073 4.5386 4.5386 5.2762 5.2762 7.1870 7.1870 9.5654 9.5654 12.6514 12.6514 14.4998 14.4998 k = 0.2665 0.8250 0.6846 ( 4834 PWs) bands (ev): -44.3284 -44.3284 -44.3270 -44.3270 -16.4357 -16.4357 -16.4302 -16.4302 -16.2546 -16.2546 -16.2498 -16.2498 -16.1745 -16.1745 -16.1701 -16.1701 -11.2438 -11.2438 -10.6171 -10.6171 -2.3000 -2.3000 -2.0750 -2.0750 -0.8293 -0.8293 -0.4832 -0.4832 -0.1847 -0.1847 2.0576 2.0576 2.7893 2.7893 3.0466 3.0466 4.2993 4.2993 4.5412 4.5412 5.2735 5.2735 7.1658 7.1658 9.5247 9.5247 12.7436 12.7436 14.4366 14.4366 k = 0.2665 0.8250 0.6846 ( 4834 PWs) bands (ev): -44.3284 -44.3284 -44.3270 -44.3270 -16.4357 -16.4357 -16.4302 -16.4302 -16.2546 -16.2546 -16.2498 -16.2498 -16.1745 -16.1745 -16.1701 -16.1701 -11.2438 -11.2438 -10.6171 -10.6171 -2.3000 -2.3000 -2.0750 -2.0750 -0.8293 -0.8293 -0.4832 -0.4832 -0.1847 -0.1847 2.0576 2.0576 2.7893 2.7893 3.0466 3.0466 4.2993 4.2993 4.5412 4.5412 5.2735 5.2735 7.1658 7.1658 9.5247 9.5247 12.7436 12.7436 14.4366 14.4366 k = 0.2460 0.8215 0.6883 ( 4842 PWs) bands (ev): -44.3284 -44.3284 -44.3270 -44.3270 -16.4356 -16.4356 -16.4305 -16.4305 -16.2545 -16.2545 -16.2500 -16.2500 -16.1743 -16.1743 -16.1702 -16.1702 -11.2440 -11.2440 -10.6162 -10.6162 -2.3004 -2.3004 -2.0751 -2.0751 -0.8301 -0.8301 -0.4832 -0.4832 -0.1850 -0.1850 2.0707 2.0707 2.7764 2.7764 3.0520 3.0520 4.2965 4.2965 4.5418 4.5418 5.2728 5.2728 7.1626 7.1626 9.5149 9.5149 12.7654 12.7654 14.4205 14.4205 k = 0.2255 0.8180 0.6920 ( 4846 PWs) bands (ev): -44.3283 -44.3283 -44.3271 -44.3271 -16.4355 -16.4355 -16.4307 -16.4307 -16.2544 -16.2544 -16.2502 -16.2502 -16.1742 -16.1742 -16.1704 -16.1704 -11.2443 -11.2443 -10.6153 -10.6153 -2.3008 -2.3008 -2.0752 -2.0752 -0.8309 -0.8309 -0.4832 -0.4832 -0.1853 -0.1853 2.0845 2.0845 2.7564 2.7564 3.0656 3.0656 4.2918 4.2918 4.5425 4.5425 5.2721 5.2721 7.1607 7.1607 9.5042 9.5042 12.7884 12.7884 14.4015 14.4015 k = 0.2050 0.8145 0.6957 ( 4848 PWs) bands (ev): -44.3283 -44.3283 -44.3272 -44.3272 -16.4354 -16.4354 -16.4309 -16.4309 -16.2543 -16.2543 -16.2504 -16.2504 -16.1740 -16.1740 -16.1706 -16.1706 -11.2446 -11.2446 -10.6143 -10.6143 -2.3012 -2.3012 -2.0753 -2.0753 -0.8319 -0.8319 -0.4832 -0.4832 -0.1855 -0.1855 2.0988 2.0988 2.7317 2.7317 3.0850 3.0850 4.2851 4.2851 4.5432 4.5432 5.2712 5.2712 7.1599 7.1599 9.4930 9.4930 12.8120 12.8120 14.3804 14.3804 k = 0.1845 0.8110 0.6994 ( 4849 PWs) bands (ev): -44.3282 -44.3282 -44.3272 -44.3272 -16.4353 -16.4353 -16.4311 -16.4311 -16.2542 -16.2542 -16.2506 -16.2506 -16.1739 -16.1739 -16.1707 -16.1707 -11.2450 -11.2450 -10.6133 -10.6133 -2.3017 -2.3017 -2.0753 -2.0753 -0.8328 -0.8328 -0.4831 -0.4831 -0.1857 -0.1857 2.1136 2.1136 2.7043 2.7043 3.1078 3.1078 4.2769 4.2769 4.5440 4.5440 5.2703 5.2703 7.1600 7.1600 9.4817 9.4817 12.8357 12.8357 14.3578 14.3578 k = 0.1640 0.8075 0.7031 ( 4849 PWs) bands (ev): -44.3281 -44.3281 -44.3273 -44.3273 -16.4352 -16.4352 -16.4313 -16.4313 -16.2541 -16.2541 -16.2508 -16.2508 -16.1737 -16.1737 -16.1709 -16.1709 -11.2454 -11.2454 -10.6124 -10.6124 -2.3022 -2.3022 -2.0754 -2.0754 -0.8337 -0.8337 -0.4831 -0.4831 -0.1859 -0.1859 2.1287 2.1287 2.6759 2.6759 3.1322 3.1322 4.2673 4.2673 4.5447 4.5447 5.2695 5.2695 7.1610 7.1610 9.4705 9.4705 12.8590 12.8590 14.3347 14.3347 k = 0.1435 0.8040 0.7069 ( 4849 PWs) bands (ev): -44.3281 -44.3281 -44.3273 -44.3273 -16.4350 -16.4350 -16.4316 -16.4316 -16.2539 -16.2539 -16.2510 -16.2510 -16.1735 -16.1735 -16.1711 -16.1711 -11.2458 -11.2458 -10.6115 -10.6115 -2.3027 -2.3027 -2.0754 -2.0754 -0.8346 -0.8346 -0.4830 -0.4830 -0.1860 -0.1860 2.1440 2.1440 2.6475 2.6475 3.1570 3.1570 4.2569 4.2569 4.5454 4.5454 5.2686 5.2686 7.1624 7.1624 9.4598 9.4598 12.8812 12.8812 14.3119 14.3119 k = 0.1230 0.8005 0.7106 ( 4847 PWs) bands (ev): -44.3280 -44.3280 -44.3274 -44.3274 -16.4348 -16.4348 -16.4318 -16.4318 -16.2538 -16.2538 -16.2512 -16.2512 -16.1734 -16.1734 -16.1713 -16.1713 -11.2462 -11.2462 -10.6107 -10.6107 -2.3032 -2.3032 -2.0755 -2.0755 -0.8354 -0.8354 -0.4829 -0.4829 -0.1862 -0.1862 2.1591 2.1591 2.6202 2.6202 3.1810 3.1810 4.2461 4.2461 4.5461 4.5461 5.2678 5.2678 7.1642 7.1642 9.4498 9.4498 12.9019 12.9019 14.2902 14.2902 k = 0.1025 0.7971 0.7143 ( 4845 PWs) bands (ev): -44.3280 -44.3280 -44.3274 -44.3274 -16.4347 -16.4347 -16.4320 -16.4320 -16.2537 -16.2537 -16.2513 -16.2513 -16.1732 -16.1732 -16.1714 -16.1714 -11.2465 -11.2465 -10.6099 -10.6099 -2.3036 -2.3036 -2.0755 -2.0755 -0.8361 -0.8361 -0.4829 -0.4829 -0.1863 -0.1863 2.1737 2.1737 2.5948 2.5948 3.2032 3.2032 4.2355 4.2355 4.5467 4.5467 5.2671 5.2671 7.1662 7.1662 9.4409 9.4409 12.9205 12.9205 14.2704 14.2704 k = 0.0820 0.7936 0.7180 ( 4845 PWs) bands (ev): -44.3279 -44.3279 -44.3275 -44.3275 -16.4345 -16.4345 -16.4321 -16.4321 -16.2535 -16.2535 -16.2515 -16.2515 -16.1730 -16.1730 -16.1716 -16.1716 -11.2469 -11.2469 -10.6093 -10.6093 -2.3040 -2.3040 -2.0755 -2.0755 -0.8367 -0.8367 -0.4828 -0.4828 -0.1863 -0.1863 2.1873 2.1873 2.5719 2.5719 3.2227 3.2227 4.2257 4.2257 4.5472 4.5472 5.2665 5.2665 7.1681 7.1681 9.4333 9.4333 12.9365 12.9365 14.2532 14.2532 k = 0.0615 0.7901 0.7217 ( 4848 PWs) bands (ev): -44.3279 -44.3279 -44.3275 -44.3275 -16.4344 -16.4344 -16.4323 -16.4323 -16.2534 -16.2534 -16.2517 -16.2517 -16.1729 -16.1729 -16.1718 -16.1718 -11.2471 -11.2471 -10.6088 -10.6088 -2.3043 -2.3043 -2.0755 -2.0755 -0.8372 -0.8372 -0.4828 -0.4828 -0.1864 -0.1864 2.1993 2.1993 2.5526 2.5526 3.2389 3.2389 4.2172 4.2172 4.5476 4.5476 5.2660 5.2660 7.1698 7.1698 9.4271 9.4271 12.9495 12.9495 14.2392 14.2392 k = 0.0410 0.7866 0.7254 ( 4844 PWs) bands (ev): -44.3278 -44.3278 -44.3276 -44.3276 -16.4342 -16.4342 -16.4325 -16.4325 -16.2533 -16.2533 -16.2518 -16.2518 -16.1727 -16.1727 -16.1719 -16.1719 -11.2473 -11.2473 -10.6084 -10.6084 -2.3045 -2.3045 -2.0756 -2.0756 -0.8375 -0.8375 -0.4827 -0.4827 -0.1864 -0.1864 2.2087 2.2087 2.5378 2.5378 3.2510 3.2510 4.2107 4.2107 4.5480 4.5480 5.2656 5.2656 7.1711 7.1711 9.4226 9.4226 12.9591 12.9591 14.2288 14.2288 k = 0.0205 0.7831 0.7291 ( 4836 PWs) bands (ev): -44.3277 -44.3277 -44.3276 -44.3276 -16.4341 -16.4341 -16.4325 -16.4325 -16.2532 -16.2532 -16.2518 -16.2518 -16.1726 -16.1726 -16.1720 -16.1720 -11.2474 -11.2474 -10.6082 -10.6082 -2.3046 -2.3046 -2.0756 -2.0756 -0.8377 -0.8377 -0.4827 -0.4827 -0.1865 -0.1865 2.2149 2.2149 2.5285 2.5285 3.2584 3.2584 4.2067 4.2067 4.5481 4.5481 5.2654 5.2654 7.1719 7.1719 9.4198 9.4198 12.9650 12.9650 14.2225 14.2225 k = 0.0000 0.7796 0.7328 ( 4846 PWs) bands (ev): -44.3277 -44.3277 -44.3277 -44.3277 -16.4341 -16.4341 -16.4326 -16.4326 -16.2532 -16.2532 -16.2519 -16.2519 -16.1726 -16.1726 -16.1721 -16.1721 -11.2475 -11.2475 -10.6081 -10.6081 -2.3047 -2.3047 -2.0756 -2.0756 -0.8378 -0.8378 -0.4827 -0.4827 -0.1865 -0.1865 2.2170 2.2170 2.5252 2.5252 3.2609 3.2609 4.2052 4.2052 4.5482 4.5482 5.2653 5.2653 7.1722 7.1722 9.4189 9.4189 12.9670 12.9670 14.2203 14.2203 k = 0.0000 0.7796 0.7328 ( 4846 PWs) bands (ev): -44.3277 -44.3277 -44.3277 -44.3277 -16.4341 -16.4341 -16.4326 -16.4326 -16.2532 -16.2532 -16.2519 -16.2519 -16.1726 -16.1726 -16.1721 -16.1721 -11.2475 -11.2475 -10.6081 -10.6081 -2.3047 -2.3047 -2.0756 -2.0756 -0.8378 -0.8378 -0.4827 -0.4827 -0.1865 -0.1865 2.2170 2.2170 2.5252 2.5252 3.2609 3.2609 4.2052 4.2052 4.5482 4.5482 5.2653 5.2653 7.1722 7.1722 9.4189 9.4189 12.9670 12.9670 14.2203 14.2203 k = 0.0053 0.7649 0.7484 ( 4846 PWs) bands (ev): -44.3277 -44.3277 -44.3277 -44.3277 -16.4341 -16.4341 -16.4326 -16.4326 -16.2534 -16.2534 -16.2517 -16.2517 -16.1729 -16.1729 -16.1719 -16.1719 -11.2474 -11.2474 -10.6081 -10.6081 -2.3045 -2.3045 -2.0754 -2.0754 -0.8378 -0.8378 -0.4827 -0.4827 -0.1866 -0.1866 2.2176 2.2176 2.5259 2.5259 3.2612 3.2612 4.2053 4.2053 4.5472 4.5472 5.2643 5.2643 7.1736 7.1736 9.4193 9.4193 12.9694 12.9694 14.2205 14.2205 k = 0.0106 0.7503 0.7640 ( 4840 PWs) bands (ev): -44.3277 -44.3277 -44.3277 -44.3277 -16.4340 -16.4340 -16.4324 -16.4324 -16.2538 -16.2538 -16.2512 -16.2512 -16.1734 -16.1734 -16.1716 -16.1716 -11.2474 -11.2474 -10.6080 -10.6080 -2.3042 -2.3042 -2.0750 -2.0750 -0.8379 -0.8379 -0.4826 -0.4826 -0.1871 -0.1871 2.2194 2.2194 2.5282 2.5282 3.2619 3.2619 4.2055 4.2055 4.5444 4.5444 5.2613 5.2613 7.1781 7.1781 9.4206 9.4206 12.9766 12.9766 14.2210 14.2210 k = 0.0160 0.7356 0.7796 ( 4838 PWs) bands (ev): -44.3277 -44.3277 -44.3276 -44.3276 -16.4339 -16.4339 -16.4322 -16.4322 -16.2544 -16.2544 -16.2507 -16.2507 -16.1740 -16.1740 -16.1713 -16.1713 -11.2472 -11.2472 -10.6079 -10.6079 -2.3036 -2.3036 -2.0742 -2.0742 -0.8379 -0.8379 -0.4824 -0.4824 -0.1878 -0.1878 2.2224 2.2224 2.5318 2.5318 3.2630 3.2630 4.2058 4.2058 4.5398 4.5398 5.2564 5.2564 7.1855 7.1855 9.4227 9.4227 12.9885 12.9885 14.2218 14.2218 k = 0.0213 0.7210 0.7952 ( 4838 PWs) bands (ev): -44.3276 -44.3276 -44.3276 -44.3276 -16.4338 -16.4338 -16.4320 -16.4320 -16.2549 -16.2549 -16.2502 -16.2502 -16.1746 -16.1746 -16.1711 -16.1711 -11.2470 -11.2470 -10.6077 -10.6077 -2.3028 -2.3028 -2.0732 -2.0732 -0.8380 -0.8380 -0.4822 -0.4822 -0.1887 -0.1887 2.2267 2.2267 2.5369 2.5369 3.2647 3.2647 4.2061 4.2061 4.5334 4.5334 5.2495 5.2495 7.1959 7.1959 9.4256 9.4256 13.0051 13.0051 14.2228 14.2228 k = 0.0266 0.7063 0.8108 ( 4836 PWs) bands (ev): -44.3276 -44.3276 -44.3276 -44.3276 -16.4336 -16.4336 -16.4316 -16.4316 -16.2555 -16.2555 -16.2496 -16.2496 -16.1754 -16.1754 -16.1710 -16.1710 -11.2468 -11.2468 -10.6074 -10.6074 -2.3019 -2.3019 -2.0719 -2.0719 -0.8381 -0.8381 -0.4821 -0.4821 -0.1897 -0.1897 2.2322 2.2322 2.5434 2.5434 3.2667 3.2667 4.2064 4.2064 4.5254 4.5254 5.2408 5.2408 7.2091 7.2091 9.4292 9.4292 13.0263 13.0263 14.2240 14.2240 k = 0.0319 0.6917 0.8264 ( 4838 PWs) bands (ev): -44.3276 -44.3276 -44.3276 -44.3276 -16.4335 -16.4335 -16.4313 -16.4313 -16.2561 -16.2561 -16.2491 -16.2491 -16.1762 -16.1762 -16.1710 -16.1710 -11.2465 -11.2465 -10.6071 -10.6071 -2.3007 -2.3007 -2.0704 -2.0704 -0.8382 -0.8382 -0.4820 -0.4820 -0.1907 -0.1907 2.2389 2.2389 2.5512 2.5512 3.2692 3.2692 4.2066 4.2066 4.5159 4.5159 5.2302 5.2302 7.2253 7.2253 9.4336 9.4336 13.0518 13.0518 14.2251 14.2251 k = 0.0372 0.6770 0.8420 ( 4838 PWs) bands (ev): -44.3276 -44.3276 -44.3275 -44.3275 -16.4332 -16.4332 -16.4308 -16.4308 -16.2566 -16.2566 -16.2485 -16.2485 -16.1771 -16.1771 -16.1710 -16.1710 -11.2462 -11.2462 -10.6067 -10.6067 -2.2994 -2.2994 -2.0687 -2.0687 -0.8384 -0.8384 -0.4820 -0.4820 -0.1916 -0.1916 2.2468 2.2468 2.5604 2.5604 3.2721 3.2721 4.2064 4.2064 4.5052 4.5052 5.2179 5.2179 7.2443 7.2443 9.4386 9.4386 13.0816 13.0816 14.2262 14.2262 k = 0.0426 0.6623 0.8576 ( 4836 PWs) bands (ev): -44.3275 -44.3275 -44.3275 -44.3275 -16.4329 -16.4329 -16.4304 -16.4304 -16.2572 -16.2572 -16.2480 -16.2480 -16.1780 -16.1780 -16.1711 -16.1711 -11.2458 -11.2458 -10.6063 -10.6063 -2.2980 -2.2980 -2.0667 -2.0667 -0.8385 -0.8385 -0.4823 -0.4823 -0.1923 -0.1923 2.2561 2.2561 2.5709 2.5709 3.2753 3.2753 4.2057 4.2057 4.4936 4.4936 5.2041 5.2041 7.2662 7.2662 9.4443 9.4443 13.1154 13.1154 14.2268 14.2268 k = 0.0479 0.6477 0.8732 ( 4842 PWs) bands (ev): -44.3275 -44.3275 -44.3275 -44.3275 -16.4326 -16.4326 -16.4298 -16.4298 -16.2578 -16.2578 -16.2475 -16.2475 -16.1790 -16.1790 -16.1713 -16.1713 -11.2454 -11.2454 -10.6058 -10.6058 -2.2964 -2.2964 -2.0646 -2.0646 -0.8387 -0.8387 -0.4828 -0.4828 -0.1925 -0.1925 2.2666 2.2666 2.5825 2.5825 3.2790 3.2790 4.2043 4.2043 4.4813 4.4813 5.1886 5.1886 7.2909 7.2909 9.4505 9.4505 13.1529 13.1529 14.2268 14.2268 k = 0.0532 0.6330 0.8888 ( 4840 PWs) bands (ev): -44.3274 -44.3274 -44.3274 -44.3274 -16.4322 -16.4322 -16.4293 -16.4293 -16.2583 -16.2583 -16.2470 -16.2470 -16.1800 -16.1800 -16.1715 -16.1715 -11.2449 -11.2449 -10.6053 -10.6053 -2.2948 -2.2948 -2.0624 -2.0624 -0.8388 -0.8388 -0.4838 -0.4838 -0.1922 -0.1922 2.2784 2.2784 2.5954 2.5954 3.2830 3.2830 4.2019 4.2019 4.4689 4.4689 5.1718 5.1718 7.3183 7.3183 9.4572 9.4572 13.1939 13.1939 14.2258 14.2258 k = 0.0585 0.6184 0.9044 ( 4840 PWs) bands (ev): -44.3274 -44.3274 -44.3274 -44.3274 -16.4318 -16.4318 -16.4287 -16.4287 -16.2589 -16.2589 -16.2465 -16.2465 -16.1811 -16.1811 -16.1718 -16.1718 -11.2444 -11.2444 -10.6048 -10.6048 -2.2932 -2.2932 -2.0601 -2.0601 -0.8390 -0.8390 -0.4853 -0.4853 -0.1911 -0.1911 2.2915 2.2915 2.6094 2.6094 3.2872 3.2872 4.1979 4.1979 4.4566 4.4566 5.1537 5.1537 7.3485 7.3485 9.4642 9.4642 13.2379 13.2379 14.2233 14.2233 k = 0.0638 0.6037 0.9199 ( 4840 PWs) bands (ev): -44.3273 -44.3273 -44.3273 -44.3273 -16.4314 -16.4314 -16.4280 -16.4280 -16.2595 -16.2595 -16.2460 -16.2460 -16.1822 -16.1822 -16.1721 -16.1721 -11.2438 -11.2438 -10.6042 -10.6042 -2.2915 -2.2915 -2.0577 -2.0577 -0.8391 -0.8391 -0.4874 -0.4874 -0.1891 -0.1891 2.3060 2.3060 2.6244 2.6244 3.2918 3.2918 4.1922 4.1922 4.4451 4.4451 5.1344 5.1344 7.3812 7.3812 9.4716 9.4716 13.2847 13.2847 14.2185 14.2185 k = 0.0691 0.5891 0.9355 ( 4838 PWs) bands (ev): -44.3273 -44.3273 -44.3273 -44.3273 -16.4309 -16.4309 -16.4274 -16.4274 -16.2600 -16.2600 -16.2456 -16.2456 -16.1833 -16.1833 -16.1724 -16.1724 -11.2432 -11.2432 -10.6035 -10.6035 -2.2898 -2.2898 -2.0554 -2.0554 -0.8392 -0.8392 -0.4902 -0.4902 -0.1860 -0.1860 2.3218 2.3218 2.6404 2.6404 3.2966 3.2966 4.1843 4.1843 4.4349 4.4349 5.1141 5.1141 7.4166 7.4166 9.4791 9.4791 13.3336 13.3336 14.2104 14.2104 k = 0.0745 0.5744 0.9511 ( 4836 PWs) bands (ev): -44.3272 -44.3272 -44.3272 -44.3272 -16.4304 -16.4304 -16.4267 -16.4267 -16.2605 -16.2605 -16.2452 -16.2452 -16.1845 -16.1845 -16.1728 -16.1728 -11.2426 -11.2426 -10.6028 -10.6028 -2.2881 -2.2881 -2.0531 -2.0531 -0.8392 -0.8392 -0.4937 -0.4937 -0.1816 -0.1816 2.3390 2.3390 2.6573 2.6573 3.3017 3.3017 4.1738 4.1738 4.4263 4.4263 5.0928 5.0928 7.4545 7.4545 9.4869 9.4869 13.3842 13.3842 14.1977 14.1977 k = 0.0798 0.5597 0.9667 ( 4838 PWs) bands (ev): -44.3271 -44.3271 -44.3271 -44.3271 -16.4299 -16.4299 -16.4260 -16.4260 -16.2610 -16.2610 -16.2448 -16.2448 -16.1857 -16.1857 -16.1733 -16.1733 -11.2419 -11.2419 -10.6021 -10.6021 -2.2865 -2.2865 -2.0508 -2.0508 -0.8392 -0.8392 -0.4981 -0.4981 -0.1760 -0.1760 2.3576 2.3576 2.6750 2.6750 3.3069 3.3069 4.1605 4.1605 4.4198 4.4198 5.0708 5.0708 7.4949 7.4949 9.4946 9.4946 13.4356 13.4356 14.1782 14.1782 k = 0.0851 0.5451 0.9823 ( 4836 PWs) bands (ev): -44.3271 -44.3271 -44.3271 -44.3271 -16.4294 -16.4294 -16.4253 -16.4253 -16.2615 -16.2615 -16.2444 -16.2444 -16.1868 -16.1868 -16.1738 -16.1738 -11.2413 -11.2413 -10.6013 -10.6013 -2.2850 -2.2850 -2.0487 -2.0487 -0.8392 -0.8392 -0.5034 -0.5034 -0.1690 -0.1690 2.3776 2.3776 2.6936 2.6936 3.3122 3.3122 4.1445 4.1445 4.4153 4.4153 5.0481 5.0481 7.5376 7.5376 9.5023 9.5023 13.4868 13.4868 14.1492 14.1492 k = 0.0904 0.5304 0.9979 ( 4842 PWs) bands (ev): -44.3270 -44.3270 -44.3270 -44.3270 -16.4288 -16.4288 -16.4246 -16.4246 -16.2620 -16.2620 -16.2441 -16.2441 -16.1880 -16.1880 -16.1743 -16.1743 -11.2405 -11.2405 -10.6006 -10.6006 -2.2835 -2.2835 -2.0468 -2.0468 -0.8390 -0.8390 -0.5094 -0.5094 -0.1605 -0.1605 2.3990 2.3990 2.7128 2.7128 3.3177 3.3177 4.1258 4.1258 4.4129 4.4129 5.0248 5.0248 7.5826 7.5826 9.5097 9.5097 13.5361 13.5361 14.1073 14.1073 k = 0.0957 0.5158 1.0135 ( 4848 PWs) bands (ev): -44.3269 -44.3269 -44.3269 -44.3269 -16.4283 -16.4283 -16.4239 -16.4239 -16.2625 -16.2625 -16.2438 -16.2438 -16.1892 -16.1892 -16.1749 -16.1749 -11.2398 -11.2398 -10.5997 -10.5997 -2.2822 -2.2822 -2.0451 -2.0451 -0.8388 -0.8388 -0.5162 -0.5162 -0.1506 -0.1506 2.4218 2.4218 2.7326 2.7326 3.3232 3.3232 4.1048 4.1048 4.4125 4.4125 5.0012 5.0012 7.6299 7.6299 9.5169 9.5169 13.5805 13.5805 14.0500 14.0500 k = 0.1011 0.5011 1.0291 ( 4846 PWs) bands (ev): -44.3269 -44.3269 -44.3269 -44.3269 -16.4277 -16.4277 -16.4231 -16.4231 -16.2629 -16.2629 -16.2435 -16.2435 -16.1903 -16.1903 -16.1755 -16.1755 -11.2391 -11.2391 -10.5989 -10.5989 -2.2809 -2.2809 -2.0436 -2.0436 -0.8385 -0.8385 -0.5238 -0.5238 -0.1394 -0.1394 2.4460 2.4460 2.7529 2.7529 3.3287 3.3287 4.0819 4.0819 4.4137 4.4137 4.9774 4.9774 7.6792 7.6792 9.5238 9.5238 13.6135 13.6135 13.9802 13.9802 k = 0.1064 0.4865 1.0447 ( 4846 PWs) bands (ev): -44.3268 -44.3268 -44.3268 -44.3268 -16.4271 -16.4271 -16.4224 -16.4224 -16.2633 -16.2633 -16.2433 -16.2433 -16.1914 -16.1914 -16.1761 -16.1761 -11.2383 -11.2383 -10.5981 -10.5981 -2.2798 -2.2798 -2.0424 -2.0424 -0.8382 -0.8382 -0.5320 -0.5320 -0.1269 -0.1269 2.4716 2.4716 2.7738 2.7738 3.3343 3.3343 4.0572 4.0572 4.4163 4.4163 4.9534 4.9534 7.7306 7.7306 9.5301 9.5301 13.6185 13.6185 13.9134 13.9134 k = 0.1117 0.4718 1.0603 ( 4842 PWs) bands (ev): -44.3267 -44.3267 -44.3267 -44.3267 -16.4265 -16.4265 -16.4217 -16.4217 -16.2637 -16.2637 -16.2431 -16.2431 -16.1925 -16.1925 -16.1767 -16.1767 -11.2375 -11.2375 -10.5972 -10.5972 -2.2787 -2.2787 -2.0414 -2.0414 -0.8377 -0.8377 -0.5408 -0.5408 -0.1133 -0.1133 2.4985 2.4985 2.7951 2.7951 3.3397 3.3397 4.0314 4.0314 4.4200 4.4200 4.9294 4.9294 7.7838 7.7838 9.5358 9.5358 13.5693 13.5693 13.8784 13.8784 k = 0.1170 0.4572 1.0759 ( 4846 PWs) bands (ev): -44.3266 -44.3266 -44.3266 -44.3266 -16.4259 -16.4259 -16.4210 -16.4210 -16.2641 -16.2641 -16.2430 -16.2430 -16.1935 -16.1935 -16.1774 -16.1774 -11.2367 -11.2367 -10.5963 -10.5963 -2.2778 -2.2778 -2.0408 -2.0408 -0.8372 -0.8372 -0.5500 -0.5500 -0.0985 -0.0985 2.5268 2.5268 2.8166 2.8166 3.3452 3.3452 4.0046 4.0046 4.4246 4.4246 4.9055 4.9055 7.8388 7.8388 9.5409 9.5409 13.4657 13.4657 13.8786 13.8786 k = 0.1223 0.4425 1.0915 ( 4840 PWs) bands (ev): -44.3266 -44.3266 -44.3265 -44.3265 -16.4253 -16.4253 -16.4204 -16.4204 -16.2644 -16.2644 -16.2430 -16.2430 -16.1944 -16.1944 -16.1780 -16.1780 -11.2359 -11.2359 -10.5954 -10.5954 -2.2770 -2.2770 -2.0405 -2.0405 -0.8365 -0.8365 -0.5596 -0.5596 -0.0829 -0.0829 2.5564 2.5564 2.8385 2.8385 3.3504 3.3504 3.9771 3.9771 4.4299 4.4299 4.8819 4.8819 7.8953 7.8953 9.5452 9.5452 13.3330 13.3330 13.8903 13.8903 k = 0.1277 0.4278 1.1071 ( 4834 PWs) bands (ev): -44.3265 -44.3265 -44.3265 -44.3265 -16.4247 -16.4247 -16.4197 -16.4197 -16.2646 -16.2646 -16.2430 -16.2430 -16.1952 -16.1952 -16.1787 -16.1787 -11.2351 -11.2351 -10.5945 -10.5945 -2.2764 -2.2764 -2.0405 -2.0405 -0.8358 -0.8358 -0.5694 -0.5694 -0.0664 -0.0664 2.5871 2.5871 2.8606 2.8606 3.3555 3.3555 3.9493 3.9493 4.4357 4.4357 4.8586 4.8586 7.9533 7.9533 9.5485 9.5485 13.1875 13.1875 13.8966 13.8966 k = 0.1330 0.4132 1.1226 ( 4838 PWs) bands (ev): -44.3264 -44.3264 -44.3264 -44.3264 -16.4241 -16.4241 -16.4191 -16.4191 -16.2649 -16.2649 -16.2431 -16.2431 -16.1960 -16.1960 -16.1793 -16.1793 -11.2343 -11.2343 -10.5936 -10.5936 -2.2758 -2.2758 -2.0408 -2.0408 -0.8350 -0.8350 -0.5794 -0.5794 -0.0493 -0.0493 2.6190 2.6190 2.8829 2.8829 3.3604 3.3604 3.9213 3.9213 4.4419 4.4419 4.8358 4.8358 8.0124 8.0124 9.5510 9.5510 13.0371 13.0371 13.8875 13.8875 k = 0.1383 0.3985 1.1382 ( 4838 PWs) bands (ev): -44.3263 -44.3263 -44.3263 -44.3263 -16.4236 -16.4236 -16.4186 -16.4186 -16.2651 -16.2651 -16.2433 -16.2433 -16.1967 -16.1967 -16.1800 -16.1800 -11.2335 -11.2335 -10.5928 -10.5928 -2.2754 -2.2754 -2.0414 -2.0414 -0.8342 -0.8342 -0.5894 -0.5894 -0.0317 -0.0317 2.6518 2.6518 2.9053 2.9053 3.3651 3.3651 3.8934 3.8934 4.4482 4.4482 4.8136 4.8136 8.0726 8.0726 9.5524 9.5524 12.8855 12.8855 13.8562 13.8562 k = 0.1436 0.3839 1.1538 ( 4838 PWs) bands (ev): -44.3262 -44.3262 -44.3262 -44.3262 -16.4230 -16.4230 -16.4180 -16.4180 -16.2652 -16.2652 -16.2435 -16.2435 -16.1974 -16.1974 -16.1807 -16.1807 -11.2328 -11.2328 -10.5919 -10.5919 -2.2751 -2.2751 -2.0423 -2.0423 -0.8333 -0.8333 -0.5995 -0.5995 -0.0137 -0.0137 2.6855 2.6855 2.9279 2.9279 3.3696 3.3696 3.8657 3.8657 4.4546 4.4546 4.7920 4.7920 8.1334 8.1334 9.5527 9.5527 12.7354 12.7354 13.8004 13.8004 k = 0.1489 0.3692 1.1694 ( 4832 PWs) bands (ev): -44.3262 -44.3262 -44.3261 -44.3261 -16.4224 -16.4224 -16.4175 -16.4175 -16.2653 -16.2653 -16.2438 -16.2438 -16.1979 -16.1979 -16.1814 -16.1814 -11.2320 -11.2320 -10.5910 -10.5910 -2.2749 -2.2749 -2.0434 -2.0434 -0.8323 -0.8323 -0.6094 -0.6094 0.0045 0.0045 2.7199 2.7199 2.9505 2.9505 3.3737 3.3737 3.8384 3.8384 4.4610 4.4610 4.7712 4.7712 8.1947 8.1947 9.5521 9.5521 12.5885 12.5885 13.7220 13.7220 k = 0.1543 0.3546 1.1850 ( 4832 PWs) bands (ev): -44.3261 -44.3261 -44.3261 -44.3261 -16.4219 -16.4219 -16.4171 -16.4171 -16.2653 -16.2653 -16.2442 -16.2442 -16.1983 -16.1983 -16.1821 -16.1821 -11.2312 -11.2312 -10.5902 -10.5902 -2.2748 -2.2748 -2.0448 -2.0448 -0.8313 -0.8313 -0.6192 -0.6192 0.0227 0.0227 2.7546 2.7546 2.9732 2.9732 3.3775 3.3775 3.8116 3.8116 4.4672 4.4672 4.7512 4.7512 8.2560 8.2560 9.5505 9.5505 12.4460 12.4460 13.6263 13.6263 k = 0.1596 0.3399 1.2006 ( 4830 PWs) bands (ev): -44.3260 -44.3260 -44.3260 -44.3260 -16.4214 -16.4214 -16.4166 -16.4166 -16.2653 -16.2653 -16.2446 -16.2446 -16.1986 -16.1986 -16.1827 -16.1827 -11.2305 -11.2305 -10.5893 -10.5893 -2.2748 -2.2748 -2.0463 -2.0463 -0.8303 -0.8303 -0.6287 -0.6287 0.0408 0.0408 2.7895 2.7895 2.9960 2.9960 3.3810 3.3810 3.7856 3.7856 4.4732 4.4732 4.7323 4.7323 8.3169 8.3169 9.5480 9.5480 12.3088 12.3088 13.5191 13.5191 k = 0.1649 0.3252 1.2162 ( 4822 PWs) bands (ev): -44.3259 -44.3259 -44.3259 -44.3259 -16.4208 -16.4208 -16.4162 -16.4162 -16.2652 -16.2652 -16.2451 -16.2451 -16.1989 -16.1989 -16.1834 -16.1834 -11.2298 -11.2298 -10.5885 -10.5885 -2.2749 -2.2749 -2.0481 -2.0481 -0.8294 -0.8294 -0.6379 -0.6379 0.0587 0.0587 2.8243 2.8243 3.0190 3.0190 3.3842 3.3842 3.7603 3.7603 4.4788 4.4788 4.7144 4.7144 8.3770 8.3770 9.5449 9.5449 12.1779 12.1779 13.4051 13.4051 k = 0.1702 0.3106 1.2318 ( 4822 PWs) bands (ev): -44.3259 -44.3259 -44.3258 -44.3258 -16.4204 -16.4204 -16.4159 -16.4159 -16.2651 -16.2651 -16.2457 -16.2457 -16.1990 -16.1990 -16.1841 -16.1841 -11.2291 -11.2291 -10.5878 -10.5878 -2.2750 -2.2750 -2.0499 -2.0499 -0.8284 -0.8284 -0.6467 -0.6467 0.0762 0.0762 2.8585 2.8585 3.0423 3.0423 3.3869 3.3869 3.7360 3.7360 4.4840 4.4840 4.6977 4.6977 8.4355 8.4355 9.5415 9.5415 12.0538 12.0538 13.2879 13.2879 k = 0.1755 0.2959 1.2474 ( 4824 PWs) bands (ev): -44.3258 -44.3258 -44.3258 -44.3258 -16.4199 -16.4199 -16.4156 -16.4156 -16.2650 -16.2650 -16.2463 -16.2463 -16.1991 -16.1991 -16.1848 -16.1848 -11.2284 -11.2284 -10.5870 -10.5870 -2.2753 -2.2753 -2.0519 -2.0519 -0.8275 -0.8275 -0.6552 -0.6552 0.0932 0.0932 2.8917 2.8917 3.0658 3.0658 3.3893 3.3893 3.7127 3.7127 4.4887 4.4887 4.6821 4.6821 8.4919 8.4919 9.5382 9.5382 11.9372 11.9372 13.1700 13.1700 k = 0.1809 0.2813 1.2630 ( 4830 PWs) bands (ev): -44.3258 -44.3258 -44.3257 -44.3257 -16.4195 -16.4195 -16.4154 -16.4154 -16.2648 -16.2648 -16.2470 -16.2470 -16.1991 -16.1991 -16.1855 -16.1855 -11.2278 -11.2278 -10.5863 -10.5863 -2.2755 -2.2755 -2.0539 -2.0539 -0.8266 -0.8266 -0.6631 -0.6631 0.1095 0.1095 2.9234 2.9234 3.0899 3.0899 3.3914 3.3914 3.6905 3.6905 4.4928 4.4928 4.6679 4.6679 8.5455 8.5455 9.5356 9.5356 11.8285 11.8285 13.0531 13.0531 k = 0.1862 0.2666 1.2786 ( 4830 PWs) bands (ev): -44.3257 -44.3257 -44.3257 -44.3257 -16.4191 -16.4191 -16.4152 -16.4152 -16.2645 -16.2645 -16.2478 -16.2478 -16.1990 -16.1990 -16.1862 -16.1862 -11.2272 -11.2272 -10.5856 -10.5856 -2.2759 -2.2759 -2.0559 -2.0559 -0.8258 -0.8258 -0.6706 -0.6706 0.1251 0.1251 2.9534 2.9534 3.1144 3.1144 3.3931 3.3931 3.6694 3.6694 4.4963 4.4963 4.6550 4.6550 8.5952 8.5952 9.5343 9.5343 11.7279 11.7279 12.9388 12.9388 k = 0.1915 0.2520 1.2942 ( 4826 PWs) bands (ev): -44.3256 -44.3256 -44.3256 -44.3256 -16.4187 -16.4187 -16.4150 -16.4150 -16.2642 -16.2642 -16.2485 -16.2485 -16.1988 -16.1988 -16.1868 -16.1868 -11.2267 -11.2267 -10.5850 -10.5850 -2.2762 -2.2762 -2.0579 -2.0579 -0.8250 -0.8250 -0.6775 -0.6775 0.1398 0.1398 2.9810 2.9810 3.1394 3.1394 3.3944 3.3944 3.6496 3.6496 4.4991 4.4991 4.6435 4.6435 8.6404 8.6404 9.5350 9.5350 11.6358 11.6358 12.8282 12.8282 k = 0.1968 0.2373 1.3097 ( 4826 PWs) bands (ev): -44.3256 -44.3256 -44.3256 -44.3256 -16.4183 -16.4183 -16.4149 -16.4149 -16.2638 -16.2638 -16.2493 -16.2493 -16.1986 -16.1986 -16.1875 -16.1875 -11.2261 -11.2261 -10.5844 -10.5844 -2.2766 -2.2766 -2.0599 -2.0599 -0.8244 -0.8244 -0.6839 -0.6839 0.1536 0.1536 3.0061 3.0061 3.1649 3.1649 3.3954 3.3954 3.6310 3.6310 4.5011 4.5011 4.6335 4.6335 8.6801 8.6801 9.5385 9.5385 11.5522 11.5522 12.7223 12.7223 k = 0.2021 0.2226 1.3253 ( 4824 PWs) bands (ev): -44.3255 -44.3255 -44.3255 -44.3255 -16.4179 -16.4179 -16.4148 -16.4148 -16.2634 -16.2634 -16.2501 -16.2501 -16.1983 -16.1983 -16.1882 -16.1882 -11.2257 -11.2257 -10.5839 -10.5839 -2.2770 -2.2770 -2.0618 -2.0618 -0.8238 -0.8238 -0.6897 -0.6897 0.1664 0.1664 3.0285 3.0285 3.1904 3.1904 3.3961 3.3961 3.6138 3.6138 4.5025 4.5025 4.6248 4.6248 8.7138 8.7138 9.5452 9.5452 11.4770 11.4770 12.6221 12.6221 k = 0.2074 0.2080 1.3409 ( 4826 PWs) bands (ev): -44.3255 -44.3255 -44.3255 -44.3255 -16.4176 -16.4176 -16.4148 -16.4148 -16.2629 -16.2629 -16.2510 -16.2510 -16.1980 -16.1980 -16.1889 -16.1889 -11.2252 -11.2252 -10.5834 -10.5834 -2.2773 -2.2773 -2.0635 -2.0635 -0.8233 -0.8233 -0.6949 -0.6949 0.1780 0.1780 3.0481 3.0481 3.2156 3.2156 3.3965 3.3965 3.5980 3.5980 4.5033 4.5033 4.6175 4.6175 8.7410 8.7410 9.5554 9.5554 11.4103 11.4103 12.5286 12.5286 k = 0.2128 0.1933 1.3565 ( 4828 PWs) bands (ev): -44.3255 -44.3255 -44.3254 -44.3254 -16.4173 -16.4173 -16.4148 -16.4148 -16.2624 -16.2624 -16.2518 -16.2518 -16.1976 -16.1976 -16.1895 -16.1895 -11.2249 -11.2249 -10.5829 -10.5829 -2.2777 -2.2777 -2.0652 -2.0652 -0.8229 -0.8229 -0.6995 -0.6995 0.1884 0.1884 3.0651 3.0651 3.2401 3.2401 3.3966 3.3966 3.5835 3.5835 4.5035 4.5035 4.6115 4.6115 8.7620 8.7620 9.5688 9.5688 11.3518 11.3518 12.4428 12.4428 k = 0.2181 0.1787 1.3721 ( 4830 PWs) bands (ev): -44.3254 -44.3254 -44.3254 -44.3254 -16.4170 -16.4170 -16.4148 -16.4148 -16.2618 -16.2618 -16.2527 -16.2527 -16.1972 -16.1972 -16.1902 -16.1902 -11.2245 -11.2245 -10.5826 -10.5826 -2.2780 -2.2780 -2.0666 -2.0666 -0.8226 -0.8226 -0.7034 -0.7034 0.1975 0.1975 3.0796 3.0796 3.2632 3.2632 3.3964 3.3964 3.5706 3.5706 4.5033 4.5033 4.6067 4.6067 8.7772 8.7772 9.5846 9.5846 11.3015 11.3015 12.3656 12.3656 k = 0.2234 0.1640 1.3877 ( 4834 PWs) bands (ev): -44.3254 -44.3254 -44.3254 -44.3254 -16.4167 -16.4167 -16.4148 -16.4148 -16.2613 -16.2613 -16.2536 -16.2536 -16.1967 -16.1967 -16.1909 -16.1909 -11.2242 -11.2242 -10.5822 -10.5822 -2.2783 -2.2783 -2.0679 -2.0679 -0.8223 -0.8223 -0.7067 -0.7067 0.2053 0.2053 3.0916 3.0916 3.2844 3.2844 3.3958 3.3958 3.5592 3.5592 4.5028 4.5028 4.6028 4.6028 8.7875 8.7875 9.6017 9.6017 11.2591 11.2591 12.2981 12.2981 k = 0.2287 0.1494 1.4033 ( 4834 PWs) bands (ev): -44.3254 -44.3254 -44.3254 -44.3254 -16.4164 -16.4164 -16.4149 -16.4149 -16.2606 -16.2606 -16.2544 -16.2544 -16.1962 -16.1962 -16.1915 -16.1915 -11.2240 -11.2240 -10.5820 -10.5820 -2.2786 -2.2786 -2.0690 -2.0690 -0.8221 -0.8221 -0.7095 -0.7095 0.2118 0.2118 3.1013 3.1013 3.3033 3.3033 3.3948 3.3948 3.5495 3.5495 4.5023 4.5023 4.5999 4.5999 8.7938 8.7938 9.6186 9.6186 11.2244 11.2244 12.2412 12.2412 k = 0.2340 0.1347 1.4189 ( 4836 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4162 -16.4162 -16.4150 -16.4150 -16.2600 -16.2600 -16.2553 -16.2553 -16.1957 -16.1957 -16.1922 -16.1922 -11.2238 -11.2238 -10.5817 -10.5817 -2.2788 -2.2788 -2.0698 -2.0698 -0.8220 -0.8220 -0.7116 -0.7116 0.2169 0.2169 3.1088 3.1088 3.3193 3.3193 3.3934 3.3934 3.5416 3.5416 4.5017 4.5017 4.5977 4.5977 8.7974 8.7974 9.6339 9.6339 11.1976 11.1976 12.1958 12.1958 k = 0.2394 0.1200 1.4345 ( 4838 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4160 -16.4160 -16.4151 -16.4151 -16.2593 -16.2593 -16.2561 -16.2561 -16.1952 -16.1952 -16.1928 -16.1928 -11.2237 -11.2237 -10.5816 -10.5816 -2.2789 -2.2789 -2.0704 -2.0704 -0.8219 -0.8219 -0.7131 -0.7131 0.2205 0.2205 3.1141 3.1141 3.3319 3.3319 3.3918 3.3918 3.5357 3.5357 4.5012 4.5012 4.5962 4.5962 8.7992 8.7992 9.6459 9.6459 11.1784 11.1784 12.1627 12.1627 k = 0.2447 0.1054 1.4501 ( 4840 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4158 -16.4158 -16.4152 -16.4152 -16.2585 -16.2585 -16.2569 -16.2569 -16.1946 -16.1946 -16.1934 -16.1934 -11.2236 -11.2236 -10.5815 -10.5815 -2.2790 -2.2790 -2.0708 -2.0708 -0.8219 -0.8219 -0.7140 -0.7140 0.2227 0.2227 3.1172 3.1172 3.3401 3.3401 3.3903 3.3903 3.5321 3.5321 4.5008 4.5008 4.5953 4.5953 8.8000 8.8000 9.6537 9.6537 11.1668 11.1668 12.1426 12.1426 k = 0.2500 0.0907 1.4657 ( 4840 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4157 -16.4157 -16.4153 -16.4153 -16.2579 -16.2579 -16.2575 -16.2575 -16.1940 -16.1940 -16.1940 -16.1940 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0709 -2.0709 -0.8218 -0.8218 -0.7143 -0.7143 0.2234 0.2234 3.1183 3.1183 3.3430 3.3430 3.3897 3.3897 3.5308 3.5308 4.5007 4.5007 4.5951 4.5951 8.8002 8.8002 9.6564 9.6564 11.1630 11.1630 12.1358 12.1358 k = 0.2500 0.0907 1.4657 ( 4840 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4157 -16.4157 -16.4153 -16.4153 -16.2579 -16.2579 -16.2575 -16.2575 -16.1940 -16.1940 -16.1940 -16.1940 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0709 -2.0709 -0.8218 -0.8218 -0.7143 -0.7143 0.2234 0.2234 3.1183 3.1183 3.3430 3.3430 3.3897 3.3897 3.5308 3.5308 4.5007 4.5007 4.5951 4.5951 8.8002 8.8002 9.6564 9.6564 11.1630 11.1630 12.1358 12.1358 k = 0.2692 0.0977 1.4582 ( 4842 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4158 -16.4158 -16.4153 -16.4153 -16.2581 -16.2581 -16.2574 -16.2574 -16.1942 -16.1942 -16.1938 -16.1938 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0709 -2.0709 -0.8219 -0.8219 -0.7142 -0.7142 0.2233 0.2233 3.1176 3.1176 3.3418 3.3418 3.3917 3.3917 3.5310 3.5310 4.4954 4.4954 4.6000 4.6000 8.8000 8.8000 9.6562 9.6562 11.1631 11.1631 12.1374 12.1374 k = 0.2885 0.1047 1.4508 ( 4842 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4158 -16.4158 -16.4153 -16.4153 -16.2583 -16.2583 -16.2572 -16.2572 -16.1944 -16.1944 -16.1936 -16.1936 -11.2236 -11.2236 -10.5815 -10.5815 -2.2790 -2.2790 -2.0709 -2.0709 -0.8219 -0.8219 -0.7141 -0.7141 0.2231 0.2231 3.1157 3.1157 3.3387 3.3387 3.3966 3.3966 3.5319 3.5319 4.4819 4.4819 4.6122 4.6122 8.7995 8.7995 9.6556 9.6556 11.1635 11.1635 12.1420 12.1420 k = 0.3077 0.1117 1.4434 ( 4831 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4158 -16.4158 -16.4152 -16.4152 -16.2585 -16.2585 -16.2569 -16.2569 -16.1946 -16.1946 -16.1934 -16.1934 -11.2236 -11.2236 -10.5815 -10.5815 -2.2790 -2.2790 -2.0708 -2.0708 -0.8219 -0.8219 -0.7139 -0.7139 0.2227 0.2227 3.1128 3.1128 3.3348 3.3348 3.4024 3.4024 3.5340 3.5340 4.4644 4.4644 4.6278 4.6278 8.7987 8.7987 9.6544 9.6544 11.1641 11.1641 12.1497 12.1497 k = 0.3269 0.1186 1.4360 ( 4827 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4158 -16.4158 -16.4152 -16.4152 -16.2587 -16.2587 -16.2566 -16.2566 -16.1948 -16.1948 -16.1932 -16.1932 -11.2236 -11.2236 -10.5816 -10.5816 -2.2790 -2.2790 -2.0707 -2.0707 -0.8220 -0.8220 -0.7135 -0.7135 0.2221 0.2221 3.1092 3.1092 3.3307 3.3307 3.4075 3.4075 3.5382 3.5382 4.4453 4.4453 4.6443 4.6443 8.7977 8.7977 9.6527 9.6527 11.1650 11.1650 12.1604 12.1604 k = 0.3462 0.1256 1.4285 ( 4823 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4159 -16.4159 -16.4151 -16.4151 -16.2590 -16.2590 -16.2563 -16.2563 -16.1950 -16.1950 -16.1930 -16.1930 -11.2236 -11.2236 -10.5816 -10.5816 -2.2790 -2.2790 -2.0705 -2.0705 -0.8220 -0.8220 -0.7131 -0.7131 0.2214 0.2214 3.1052 3.1052 3.3267 3.3267 3.4105 3.4105 3.5450 3.5450 4.4260 4.4260 4.6606 4.6606 8.7967 8.7967 9.6503 9.6503 11.1662 11.1662 12.1740 12.1740 k = 0.3654 0.1326 1.4211 ( 4816 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4159 -16.4159 -16.4150 -16.4150 -16.2592 -16.2592 -16.2560 -16.2560 -16.1952 -16.1952 -16.1928 -16.1928 -11.2236 -11.2236 -10.5817 -10.5817 -2.2789 -2.2789 -2.0704 -2.0704 -0.8221 -0.8221 -0.7127 -0.7127 0.2205 0.2205 3.1010 3.1010 3.3229 3.3229 3.4106 3.4106 3.5544 3.5544 4.4074 4.4074 4.6759 4.6759 8.7956 8.7956 9.6473 9.6473 11.1678 11.1678 12.1902 12.1902 k = 0.3846 0.1396 1.4137 ( 4814 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4159 -16.4159 -16.4150 -16.4150 -16.2594 -16.2594 -16.2557 -16.2557 -16.1953 -16.1953 -16.1925 -16.1925 -11.2236 -11.2236 -10.5818 -10.5818 -2.2789 -2.2789 -2.0702 -2.0702 -0.8221 -0.8221 -0.7121 -0.7121 0.2194 0.2194 3.0969 3.0969 3.3193 3.3193 3.4078 3.4078 3.5662 3.5662 4.3900 4.3900 4.6899 4.6899 8.7945 8.7945 9.6436 9.6436 11.1700 11.1700 12.2087 12.2087 k = 0.4038 0.1466 1.4063 ( 4810 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4160 -16.4160 -16.4150 -16.4150 -16.2596 -16.2596 -16.2554 -16.2554 -16.1955 -16.1955 -16.1923 -16.1923 -11.2236 -11.2236 -10.5819 -10.5819 -2.2788 -2.2788 -2.0700 -2.0700 -0.8221 -0.8221 -0.7115 -0.7115 0.2182 0.2182 3.0930 3.0930 3.3158 3.3158 3.4025 3.4025 3.5797 3.5797 4.3743 4.3743 4.7022 4.7022 8.7936 8.7936 9.6391 9.6391 11.1727 11.1727 12.2291 12.2291 k = 0.4231 0.1535 1.3989 ( 4818 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4161 -16.4161 -16.4150 -16.4150 -16.2599 -16.2599 -16.2552 -16.2552 -16.1957 -16.1957 -16.1921 -16.1921 -11.2236 -11.2236 -10.5821 -10.5821 -2.2787 -2.2787 -2.0697 -2.0697 -0.8221 -0.8221 -0.7109 -0.7109 0.2168 0.2168 3.0896 3.0896 3.3123 3.3123 3.3952 3.3952 3.5938 3.5938 4.3609 4.3609 4.7126 4.7126 8.7929 8.7929 9.6340 9.6340 11.1761 11.1761 12.2511 12.2511 k = 0.4423 0.1605 1.3914 ( 4818 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4161 -16.4161 -16.4150 -16.4150 -16.2601 -16.2601 -16.2549 -16.2549 -16.1959 -16.1959 -16.1919 -16.1919 -11.2236 -11.2236 -10.5822 -10.5822 -2.2786 -2.2786 -2.0694 -2.0694 -0.8221 -0.8221 -0.7102 -0.7102 0.2152 0.2152 3.0867 3.0867 3.3086 3.3086 3.3866 3.3866 3.6079 3.6079 4.3502 4.3502 4.7211 4.7211 8.7923 8.7923 9.6283 9.6283 11.1804 11.1804 12.2743 12.2743 k = 0.4615 0.1675 1.3840 ( 4812 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4162 -16.4162 -16.4149 -16.4149 -16.2603 -16.2603 -16.2546 -16.2546 -16.1960 -16.1960 -16.1917 -16.1917 -11.2235 -11.2235 -10.5824 -10.5824 -2.2785 -2.2785 -2.0691 -2.0691 -0.8220 -0.8220 -0.7094 -0.7094 0.2135 0.2135 3.0844 3.0844 3.3044 3.3044 3.3776 3.3776 3.6212 3.6212 4.3424 4.3424 4.7275 4.7275 8.7920 8.7920 9.6220 9.6220 11.1855 11.1855 12.2982 12.2982 k = 0.4808 0.1745 1.3766 ( 4814 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4163 -16.4163 -16.4149 -16.4149 -16.2605 -16.2605 -16.2543 -16.2543 -16.1962 -16.1962 -16.1915 -16.1915 -11.2235 -11.2235 -10.5826 -10.5826 -2.2783 -2.2783 -2.0688 -2.0688 -0.8219 -0.8219 -0.7086 -0.7086 0.2116 0.2116 3.0825 3.0825 3.2993 3.2993 3.3687 3.3687 3.6331 3.6331 4.3378 4.3378 4.7316 4.7316 8.7918 8.7918 9.6154 9.6154 11.1916 11.1916 12.3226 12.3226 k = 0.5000 0.1815 1.3692 ( 4812 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4163 -16.4163 -16.4149 -16.4149 -16.2607 -16.2607 -16.2540 -16.2540 -16.1964 -16.1964 -16.1912 -16.1912 -11.2235 -11.2235 -10.5828 -10.5828 -2.2782 -2.2782 -2.0685 -2.0685 -0.8217 -0.8217 -0.7078 -0.7078 0.2096 0.2096 3.0811 3.0811 3.2930 3.2930 3.3609 3.3609 3.6432 3.6432 4.3367 4.3367 4.7335 4.7335 8.7918 8.7918 9.6085 9.6085 11.1985 11.1985 12.3471 12.3471 k = 0.5000 0.1815 1.3692 ( 4812 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4163 -16.4163 -16.4149 -16.4149 -16.2607 -16.2607 -16.2540 -16.2540 -16.1964 -16.1964 -16.1912 -16.1912 -11.2235 -11.2235 -10.5828 -10.5828 -2.2782 -2.2782 -2.0685 -2.0685 -0.8217 -0.8217 -0.7078 -0.7078 0.2096 0.2096 3.0811 3.0811 3.2930 3.2930 3.3609 3.3609 3.6432 3.6432 4.3367 4.3367 4.7335 4.7335 8.7918 8.7918 9.6085 9.6085 11.1985 11.1985 12.3471 12.3471 k = 0.5000 0.1815 1.3467 ( 4816 PWs) bands (ev): -44.3255 -44.3255 -44.3253 -44.3253 -16.4166 -16.4166 -16.4148 -16.4148 -16.2613 -16.2613 -16.2532 -16.2532 -16.1969 -16.1969 -16.1906 -16.1906 -11.2235 -11.2235 -10.5835 -10.5835 -2.2777 -2.2777 -2.0673 -2.0673 -0.8213 -0.8213 -0.7049 -0.7049 0.2026 0.2026 3.0750 3.0750 3.2677 3.2677 3.3446 3.3446 3.6695 3.6695 4.3388 4.3388 4.7362 4.7362 8.7913 8.7913 9.5875 9.5875 11.2222 11.2222 12.4289 12.4289 k = 0.5000 0.1815 1.3243 ( 4818 PWs) bands (ev): -44.3256 -44.3256 -44.3253 -44.3253 -16.4169 -16.4169 -16.4148 -16.4148 -16.2619 -16.2619 -16.2524 -16.2524 -16.1974 -16.1974 -16.1899 -16.1899 -11.2235 -11.2235 -10.5843 -10.5843 -2.2771 -2.2771 -2.0659 -2.0659 -0.8207 -0.8207 -0.7015 -0.7015 0.1942 0.1942 3.0624 3.0624 3.2393 3.2393 3.3354 3.3354 3.6941 3.6941 4.3413 4.3413 4.7394 4.7394 8.7889 8.7889 9.5685 9.5685 11.2477 11.2477 12.5261 12.5261 k = 0.5000 0.1815 1.3018 ( 4826 PWs) bands (ev): -44.3257 -44.3257 -44.3253 -44.3253 -16.4172 -16.4172 -16.4148 -16.4148 -16.2624 -16.2624 -16.2516 -16.2516 -16.1979 -16.1979 -16.1893 -16.1893 -11.2235 -11.2235 -10.5853 -10.5853 -2.2763 -2.2763 -2.0643 -2.0643 -0.8201 -0.8201 -0.6974 -0.6974 0.1845 0.1845 3.0398 3.0398 3.2152 3.2152 3.3298 3.3298 3.7168 3.7168 4.3443 4.3443 4.7432 4.7432 8.7837 8.7837 9.5537 9.5537 11.2742 11.2742 12.6377 12.6377 k = 0.5000 0.1815 1.2794 ( 4828 PWs) bands (ev): -44.3258 -44.3258 -44.3252 -44.3252 -16.4175 -16.4175 -16.4148 -16.4148 -16.2629 -16.2629 -16.2508 -16.2508 -16.1983 -16.1983 -16.1886 -16.1886 -11.2235 -11.2235 -10.5865 -10.5865 -2.2756 -2.2756 -2.0625 -2.0625 -0.8193 -0.8193 -0.6928 -0.6928 0.1737 0.1737 3.0054 3.0054 3.1987 3.1987 3.3263 3.3263 3.7378 3.7378 4.3477 4.3477 4.7476 4.7476 8.7751 8.7751 9.5452 9.5452 11.3014 11.3014 12.7624 12.7624 k = 0.5000 0.1815 1.2569 ( 4832 PWs) bands (ev): -44.3259 -44.3259 -44.3252 -44.3252 -16.4179 -16.4179 -16.4148 -16.4148 -16.2633 -16.2633 -16.2500 -16.2500 -16.1987 -16.1987 -16.1879 -16.1879 -11.2236 -11.2236 -10.5878 -10.5878 -2.2747 -2.2747 -2.0605 -2.0605 -0.8185 -0.8185 -0.6877 -0.6877 0.1617 0.1617 2.9605 2.9605 3.1888 3.1888 3.3248 3.3248 3.7571 3.7571 4.3516 4.3516 4.7525 4.7525 8.7627 8.7627 9.5443 9.5443 11.3291 11.3291 12.8990 12.8990 k = 0.5000 0.1815 1.2345 ( 4824 PWs) bands (ev): -44.3260 -44.3260 -44.3252 -44.3252 -16.4182 -16.4182 -16.4147 -16.4147 -16.2636 -16.2636 -16.2492 -16.2492 -16.1990 -16.1990 -16.1871 -16.1871 -11.2237 -11.2237 -10.5894 -10.5894 -2.2737 -2.2737 -2.0584 -2.0584 -0.8176 -0.8176 -0.6820 -0.6820 0.1488 0.1488 2.9079 2.9079 3.1825 3.1825 3.3254 3.3254 3.7749 3.7749 4.3561 4.3561 4.7580 4.7580 8.7465 8.7465 9.5521 9.5521 11.3574 11.3574 13.0464 13.0464 k = 0.5000 0.1815 1.2120 ( 4826 PWs) bands (ev): -44.3261 -44.3261 -44.3252 -44.3252 -16.4186 -16.4186 -16.4147 -16.4147 -16.2638 -16.2638 -16.2484 -16.2484 -16.1993 -16.1993 -16.1864 -16.1864 -11.2239 -11.2239 -10.5911 -10.5911 -2.2727 -2.2727 -2.0561 -2.0561 -0.8166 -0.8166 -0.6757 -0.6757 0.1349 0.1349 2.8497 2.8497 3.1774 3.1774 3.3286 3.3286 3.7911 3.7911 4.3610 4.3610 4.7640 4.7640 8.7269 8.7269 9.5688 9.5688 11.3862 11.3862 13.2033 13.2033 k = 0.5000 0.1815 1.1896 ( 4826 PWs) bands (ev): -44.3263 -44.3263 -44.3251 -44.3251 -16.4190 -16.4190 -16.4146 -16.4146 -16.2639 -16.2639 -16.2477 -16.2477 -16.1995 -16.1995 -16.1857 -16.1857 -11.2242 -11.2242 -10.5930 -10.5930 -2.2716 -2.2716 -2.0538 -2.0538 -0.8156 -0.8156 -0.6690 -0.6690 0.1203 0.1203 2.7874 2.7874 3.1719 3.1719 3.3347 3.3347 3.8061 3.8061 4.3665 4.3665 4.7706 4.7706 8.7044 8.7044 9.5942 9.5942 11.4156 11.4156 13.3684 13.3684 k = 0.5000 0.1815 1.1671 ( 4824 PWs) bands (ev): -44.3265 -44.3265 -44.3251 -44.3251 -16.4195 -16.4195 -16.4146 -16.4146 -16.2640 -16.2640 -16.2471 -16.2471 -16.1996 -16.1996 -16.1850 -16.1850 -11.2245 -11.2245 -10.5951 -10.5951 -2.2705 -2.2705 -2.0514 -2.0514 -0.8145 -0.8145 -0.6617 -0.6617 0.1049 0.1049 2.7221 2.7221 3.1651 3.1651 3.3437 3.3437 3.8198 3.8198 4.3725 4.3725 4.7778 4.7778 8.6799 8.6799 9.6279 9.6279 11.4459 11.4459 13.5394 13.5394 k = 0.5000 0.1815 1.1447 ( 4828 PWs) bands (ev): -44.3266 -44.3266 -44.3251 -44.3251 -16.4199 -16.4199 -16.4145 -16.4145 -16.2640 -16.2640 -16.2465 -16.2465 -16.1998 -16.1998 -16.1842 -16.1842 -11.2249 -11.2249 -10.5975 -10.5975 -2.2693 -2.2693 -2.0489 -2.0489 -0.8133 -0.8133 -0.6540 -0.6540 0.0890 0.0890 2.6541 2.6541 3.1567 3.1567 3.3554 3.3554 3.8324 3.8324 4.3791 4.3791 4.7855 4.7855 8.6543 8.6543 9.6692 9.6692 11.4771 11.4771 13.7041 13.7041 k = 0.5000 0.1815 1.1223 ( 4836 PWs) bands (ev): -44.3268 -44.3268 -44.3250 -44.3250 -16.4204 -16.4204 -16.4145 -16.4145 -16.2640 -16.2640 -16.2459 -16.2459 -16.1998 -16.1998 -16.1835 -16.1835 -11.2254 -11.2254 -10.6000 -10.6000 -2.2681 -2.2681 -2.0464 -2.0464 -0.8120 -0.8120 -0.6459 -0.6459 0.0727 0.0727 2.5841 2.5841 3.1468 3.1468 3.3697 3.3697 3.8441 3.8441 4.3863 4.3863 4.7937 4.7937 8.6285 8.6285 9.7175 9.7175 11.5093 11.5093 13.7290 13.7290 k = 0.5000 0.1815 1.0998 ( 4838 PWs) bands (ev): -44.3270 -44.3270 -44.3250 -44.3250 -16.4209 -16.4209 -16.4144 -16.4144 -16.2639 -16.2639 -16.2454 -16.2454 -16.1998 -16.1998 -16.1827 -16.1827 -11.2261 -11.2261 -10.6028 -10.6028 -2.2669 -2.2669 -2.0439 -2.0439 -0.8107 -0.8107 -0.6373 -0.6373 0.0560 0.0560 2.5122 2.5122 3.1354 3.1354 3.3861 3.3861 3.8549 3.8549 4.3941 4.3941 4.8025 4.8025 8.6030 8.6030 9.7722 9.7722 11.5427 11.5427 13.6467 13.6467 k = 0.5000 0.1815 1.0774 ( 4834 PWs) bands (ev): -44.3272 -44.3272 -44.3250 -44.3250 -16.4213 -16.4213 -16.4142 -16.4142 -16.2637 -16.2637 -16.2449 -16.2449 -16.1997 -16.1997 -16.1819 -16.1819 -11.2268 -11.2268 -10.6059 -10.6059 -2.2657 -2.2657 -2.0414 -2.0414 -0.8094 -0.8094 -0.6284 -0.6284 0.0391 0.0391 2.4389 2.4389 3.1228 3.1228 3.4045 3.4045 3.8649 3.8649 4.4026 4.4026 4.8118 4.8118 8.5784 8.5784 9.8327 9.8327 11.5774 11.5774 13.5530 13.5530 k = 0.5000 0.1815 1.0549 ( 4840 PWs) bands (ev): -44.3274 -44.3274 -44.3249 -44.3249 -16.4218 -16.4218 -16.4141 -16.4141 -16.2634 -16.2634 -16.2445 -16.2445 -16.1995 -16.1995 -16.1812 -16.1812 -11.2277 -11.2277 -10.6091 -10.6091 -2.2644 -2.2644 -2.0390 -2.0390 -0.8080 -0.8080 -0.6191 -0.6191 0.0222 0.0222 2.3644 2.3644 3.1092 3.1092 3.4245 3.4245 3.8744 3.8744 4.4117 4.4117 4.8216 4.8216 8.5552 8.5552 9.8984 9.8984 11.6133 11.6133 13.4547 13.4547 k = 0.5000 0.1815 1.0325 ( 4840 PWs) bands (ev): -44.3277 -44.3277 -44.3249 -44.3249 -16.4223 -16.4223 -16.4139 -16.4139 -16.2630 -16.2630 -16.2440 -16.2440 -16.1993 -16.1993 -16.1804 -16.1804 -11.2288 -11.2288 -10.6127 -10.6127 -2.2632 -2.2632 -2.0368 -2.0368 -0.8066 -0.8066 -0.6096 -0.6096 0.0052 0.0052 2.2889 2.2889 3.0946 3.0946 3.4459 3.4459 3.8834 3.8834 4.4215 4.4215 4.8319 4.8319 8.5338 8.5338 9.9691 9.9691 11.6507 11.6507 13.3532 13.3532 k = 0.5000 0.1815 1.0100 ( 4848 PWs) bands (ev): -44.3279 -44.3279 -44.3248 -44.3248 -16.4228 -16.4228 -16.4137 -16.4137 -16.2626 -16.2626 -16.2437 -16.2437 -16.1991 -16.1991 -16.1796 -16.1796 -11.2300 -11.2300 -10.6165 -10.6165 -2.2620 -2.2620 -2.0346 -2.0346 -0.8051 -0.8051 -0.5998 -0.5998 -0.0115 -0.0115 2.2127 2.2127 3.0793 3.0793 3.4685 3.4685 3.8921 3.8921 4.4319 4.4319 4.8427 4.8427 8.5142 8.5142 10.0442 10.0442 11.6895 11.6895 13.2491 13.2491 k = 0.5000 0.1815 0.9876 ( 4840 PWs) bands (ev): -44.3281 -44.3281 -44.3248 -44.3248 -16.4233 -16.4233 -16.4134 -16.4134 -16.2621 -16.2621 -16.2433 -16.2433 -16.1987 -16.1987 -16.1788 -16.1788 -11.2314 -11.2314 -10.6205 -10.6205 -2.2609 -2.2609 -2.0326 -2.0326 -0.8036 -0.8036 -0.5898 -0.5898 -0.0280 -0.0280 2.1359 2.1359 3.0634 3.0634 3.4921 3.4921 3.9005 3.9005 4.4431 4.4431 4.8540 4.8540 8.4967 8.4967 10.1235 10.1235 11.7299 11.7299 13.1429 13.1429 k = 0.5000 0.1815 0.9651 ( 4836 PWs) bands (ev): -44.3284 -44.3284 -44.3247 -44.3247 -16.4238 -16.4238 -16.4130 -16.4130 -16.2615 -16.2615 -16.2430 -16.2430 -16.1982 -16.1982 -16.1780 -16.1780 -11.2330 -11.2330 -10.6249 -10.6249 -2.2598 -2.2598 -2.0308 -2.0308 -0.8021 -0.8021 -0.5797 -0.5797 -0.0440 -0.0440 2.0589 2.0589 3.0471 3.0471 3.5167 3.5167 3.9088 3.9088 4.4551 4.4551 4.8657 4.8657 8.4814 8.4814 10.2066 10.2066 11.7717 11.7717 13.0349 13.0349 k = 0.5000 0.1815 0.9427 ( 4836 PWs) bands (ev): -44.3286 -44.3286 -44.3247 -44.3247 -16.4243 -16.4243 -16.4127 -16.4127 -16.2609 -16.2609 -16.2427 -16.2427 -16.1977 -16.1977 -16.1771 -16.1771 -11.2348 -11.2348 -10.6294 -10.6294 -2.2588 -2.2588 -2.0291 -2.0291 -0.8006 -0.8006 -0.5696 -0.5696 -0.0595 -0.0595 1.9817 1.9817 3.0303 3.0303 3.5421 3.5421 3.9171 3.9171 4.4678 4.4678 4.8779 4.8779 8.4683 8.4683 10.2932 10.2932 11.8152 11.8152 12.9255 12.9255 k = 0.5000 0.1815 0.9203 ( 4840 PWs) bands (ev): -44.3289 -44.3289 -44.3247 -44.3247 -16.4247 -16.4247 -16.4123 -16.4123 -16.2603 -16.2603 -16.2424 -16.2424 -16.1972 -16.1972 -16.1763 -16.1763 -11.2367 -11.2367 -10.6343 -10.6343 -2.2578 -2.2578 -2.0278 -2.0278 -0.7991 -0.7991 -0.5595 -0.5595 -0.0744 -0.0744 1.9045 1.9045 3.0131 3.0131 3.5682 3.5682 3.9255 3.9255 4.4813 4.4813 4.8905 4.8905 8.4575 8.4575 10.3831 10.3831 11.8603 11.8603 12.8151 12.8151 k = 0.5000 0.1815 0.8978 ( 4840 PWs) bands (ev): -44.3292 -44.3292 -44.3246 -44.3246 -16.4252 -16.4252 -16.4118 -16.4118 -16.2596 -16.2596 -16.2421 -16.2421 -16.1966 -16.1966 -16.1755 -16.1755 -11.2389 -11.2389 -10.6394 -10.6394 -2.2570 -2.2570 -2.0266 -2.0266 -0.7976 -0.7976 -0.5494 -0.5494 -0.0884 -0.0884 1.8276 1.8276 2.9957 2.9957 3.5950 3.5950 3.9341 3.9341 4.4956 4.4956 4.9034 4.9034 8.4488 8.4488 10.4760 10.4760 11.9069 11.9069 12.7041 12.7041 k = 0.5000 0.1815 0.8754 ( 4834 PWs) bands (ev): -44.3294 -44.3294 -44.3246 -44.3246 -16.4257 -16.4257 -16.4112 -16.4112 -16.2588 -16.2588 -16.2417 -16.2417 -16.1960 -16.1960 -16.1746 -16.1746 -11.2413 -11.2413 -10.6448 -10.6448 -2.2562 -2.2562 -2.0258 -2.0258 -0.7961 -0.7961 -0.5396 -0.5396 -0.1015 -0.1015 1.7512 1.7512 2.9781 2.9781 3.6222 3.6222 3.9430 3.9430 4.5107 4.5107 4.9168 4.9168 8.4422 8.4422 10.5716 10.5716 11.9550 11.9550 12.5931 12.5931 k = 0.5000 0.1815 0.8529 ( 4834 PWs) bands (ev): -44.3297 -44.3297 -44.3245 -44.3245 -16.4261 -16.4261 -16.4106 -16.4106 -16.2580 -16.2580 -16.2414 -16.2414 -16.1953 -16.1953 -16.1737 -16.1737 -11.2439 -11.2439 -10.6505 -10.6505 -2.2557 -2.2557 -2.0252 -2.0252 -0.7946 -0.7946 -0.5301 -0.5301 -0.1135 -0.1135 1.6754 1.6754 2.9604 2.9604 3.6499 3.6499 3.9522 3.9522 4.5266 4.5266 4.9305 4.9305 8.4377 8.4377 10.6695 10.6695 12.0039 12.0039 12.4829 12.4829 k = 0.5000 0.1815 0.8305 ( 4832 PWs) bands (ev): -44.3300 -44.3300 -44.3245 -44.3245 -16.4265 -16.4265 -16.4100 -16.4100 -16.2572 -16.2572 -16.2410 -16.2410 -16.1946 -16.1946 -16.1728 -16.1728 -11.2466 -11.2466 -10.6564 -10.6564 -2.2552 -2.2552 -2.0250 -2.0250 -0.7931 -0.7931 -0.5209 -0.5209 -0.1244 -0.1244 1.6003 1.6003 2.9426 2.9426 3.6780 3.6780 3.9619 3.9619 4.5433 4.5433 4.9445 4.9445 8.4351 8.4351 10.7693 10.7693 12.0521 12.0521 12.3757 12.3757 k = 0.5000 0.1815 0.8080 ( 4818 PWs) bands (ev): -44.3302 -44.3302 -44.3244 -44.3244 -16.4269 -16.4269 -16.4093 -16.4093 -16.2564 -16.2564 -16.2405 -16.2405 -16.1938 -16.1938 -16.1718 -16.1718 -11.2496 -11.2496 -10.6626 -10.6626 -2.2549 -2.2549 -2.0251 -2.0251 -0.7917 -0.7917 -0.5123 -0.5123 -0.1340 -0.1340 1.5262 1.5262 2.9248 2.9248 3.7064 3.7064 3.9721 3.9721 4.5608 4.5608 4.9588 4.9588 8.4345 8.4345 10.8706 10.8706 12.0923 12.0923 12.2796 12.2796 k = 0.5000 0.1815 0.7856 ( 4818 PWs) bands (ev): -44.3305 -44.3305 -44.3243 -44.3243 -16.4272 -16.4272 -16.4086 -16.4086 -16.2556 -16.2556 -16.2400 -16.2400 -16.1930 -16.1930 -16.1709 -16.1709 -11.2528 -11.2528 -10.6690 -10.6690 -2.2548 -2.2548 -2.0255 -2.0255 -0.7903 -0.7903 -0.5042 -0.5042 -0.1422 -0.1422 1.4532 1.4532 2.9071 2.9071 3.7350 3.7350 3.9828 3.9828 4.5792 4.5792 4.9733 4.9733 8.4355 8.4355 10.9726 10.9726 12.0855 12.0855 12.2339 12.2339 k = 0.5000 0.1815 0.7631 ( 4814 PWs) bands (ev): -44.3308 -44.3308 -44.3243 -44.3243 -16.4275 -16.4275 -16.4078 -16.4078 -16.2548 -16.2548 -16.2395 -16.2395 -16.1923 -16.1923 -16.1700 -16.1700 -11.2562 -11.2562 -10.6757 -10.6757 -2.2548 -2.2548 -2.0263 -2.0263 -0.7890 -0.7890 -0.4968 -0.4968 -0.1489 -0.1489 1.3814 1.3814 2.8894 2.8894 3.7638 3.7638 3.9942 3.9942 4.5984 4.5984 4.9881 4.9881 8.4382 8.4382 11.0740 11.0740 12.0076 12.0076 12.2645 12.2645 k = 0.5000 0.1815 0.7407 ( 4820 PWs) bands (ev): -44.3311 -44.3311 -44.3242 -44.3242 -16.4279 -16.4279 -16.4070 -16.4070 -16.2541 -16.2541 -16.2388 -16.2388 -16.1915 -16.1915 -16.1691 -16.1691 -11.2598 -11.2598 -10.6825 -10.6825 -2.2550 -2.2550 -2.0274 -2.0274 -0.7877 -0.7877 -0.4902 -0.4902 -0.1540 -0.1540 1.3110 1.3110 2.8718 2.8718 3.7927 3.7927 4.0061 4.0061 4.6184 4.6184 5.0031 5.0031 8.4424 8.4424 11.1725 11.1725 11.9129 11.9129 12.3193 12.3193 k = 0.5000 0.1815 0.7182 ( 4826 PWs) bands (ev): -44.3314 -44.3314 -44.3242 -44.3242 -16.4282 -16.4282 -16.4061 -16.4061 -16.2535 -16.2535 -16.2381 -16.2381 -16.1908 -16.1908 -16.1681 -16.1681 -11.2636 -11.2636 -10.6896 -10.6896 -2.2555 -2.2555 -2.0289 -2.0289 -0.7864 -0.7864 -0.4845 -0.4845 -0.1576 -0.1576 1.2420 1.2420 2.8543 2.8543 3.8216 3.8216 4.0187 4.0187 4.6393 4.6393 5.0183 5.0183 8.4480 8.4480 11.2629 11.2629 11.8235 11.8235 12.3815 12.3815 k = 0.5000 0.1815 0.6958 ( 4824 PWs) bands (ev): -44.3316 -44.3316 -44.3241 -44.3241 -16.4284 -16.4284 -16.4052 -16.4052 -16.2528 -16.2528 -16.2373 -16.2373 -16.1900 -16.1900 -16.1671 -16.1671 -11.2676 -11.2676 -10.6968 -10.6968 -2.2561 -2.2561 -2.0307 -2.0307 -0.7853 -0.7853 -0.4795 -0.4795 -0.1595 -0.1595 1.1747 1.1747 2.8371 2.8371 3.8504 3.8504 4.0321 4.0321 4.6609 4.6609 5.0336 5.0336 8.4549 8.4549 11.3322 11.3322 11.7554 11.7554 12.4483 12.4483 k = 0.5000 0.1815 0.6734 ( 4832 PWs) bands (ev): -44.3319 -44.3319 -44.3241 -44.3241 -16.4286 -16.4286 -16.4043 -16.4043 -16.2523 -16.2523 -16.2363 -16.2363 -16.1892 -16.1892 -16.1662 -16.1662 -11.2717 -11.2717 -10.7042 -10.7042 -2.2569 -2.2569 -2.0328 -2.0328 -0.7842 -0.7842 -0.4755 -0.4755 -0.1599 -0.1599 1.1090 1.1090 2.8201 2.8201 3.8792 3.8792 4.0461 4.0461 4.6832 4.6832 5.0490 5.0490 8.4628 8.4628 11.3540 11.3540 11.7358 11.7358 12.5187 12.5187 k = 0.5000 0.1815 0.6509 ( 4842 PWs) bands (ev): -44.3322 -44.3322 -44.3241 -44.3241 -16.4289 -16.4289 -16.4033 -16.4033 -16.2518 -16.2518 -16.2353 -16.2353 -16.1886 -16.1886 -16.1652 -16.1652 -11.2760 -11.2760 -10.7118 -10.7118 -2.2580 -2.2580 -2.0353 -2.0353 -0.7831 -0.7831 -0.4723 -0.4723 -0.1587 -0.1587 1.0452 1.0452 2.8033 2.8033 3.9077 3.9077 4.0608 4.0608 4.7064 4.7064 5.0645 5.0645 8.4718 8.4718 11.3148 11.3148 11.7786 11.7786 12.5925 12.5925 k = 0.5000 0.1815 0.6285 ( 4834 PWs) bands (ev): -44.3325 -44.3325 -44.3240 -44.3240 -16.4290 -16.4290 -16.4023 -16.4023 -16.2513 -16.2513 -16.2341 -16.2341 -16.1878 -16.1878 -16.1641 -16.1641 -11.2804 -11.2804 -10.7195 -10.7195 -2.2593 -2.2593 -2.0381 -2.0381 -0.7821 -0.7821 -0.4698 -0.4698 -0.1562 -0.1562 0.9833 0.9833 2.7869 2.7869 3.9360 3.9360 4.0763 4.0763 4.7302 4.7302 5.0800 5.0800 8.4817 8.4817 11.2384 11.2384 11.8600 11.8600 12.6698 12.6698 k = 0.5000 0.1815 0.6060 ( 4830 PWs) bands (ev): -44.3328 -44.3328 -44.3239 -44.3239 -16.4291 -16.4291 -16.4012 -16.4012 -16.2509 -16.2509 -16.2329 -16.2329 -16.1871 -16.1871 -16.1630 -16.1630 -11.2850 -11.2850 -10.7273 -10.7273 -2.2608 -2.2608 -2.0411 -2.0411 -0.7813 -0.7813 -0.4680 -0.4680 -0.1524 -0.1524 0.9233 0.9233 2.7707 2.7707 3.9639 3.9639 4.0924 4.0924 4.7548 4.7548 5.0955 5.0955 8.4922 8.4922 11.1466 11.1466 11.9580 11.9580 12.7505 12.7505 k = 0.5000 0.1815 0.5836 ( 4838 PWs) bands (ev): -44.3330 -44.3330 -44.3239 -44.3239 -16.4292 -16.4292 -16.4001 -16.4001 -16.2506 -16.2506 -16.2316 -16.2316 -16.1864 -16.1864 -16.1620 -16.1620 -11.2897 -11.2897 -10.7351 -10.7351 -2.2625 -2.2625 -2.0445 -2.0445 -0.7805 -0.7805 -0.4668 -0.4668 -0.1474 -0.1474 0.8655 0.8655 2.7550 2.7550 3.9914 3.9914 4.1092 4.1092 4.7799 4.7799 5.1109 5.1109 8.5034 8.5034 11.0490 11.0490 12.0632 12.0632 12.8347 12.8347 k = 0.5000 0.1815 0.5611 ( 4836 PWs) bands (ev): -44.3333 -44.3333 -44.3238 -44.3238 -16.4293 -16.4293 -16.3990 -16.3990 -16.2503 -16.2503 -16.2302 -16.2302 -16.1858 -16.1858 -16.1609 -16.1609 -11.2944 -11.2944 -10.7430 -10.7430 -2.2645 -2.2645 -2.0481 -2.0481 -0.7797 -0.7797 -0.4660 -0.4660 -0.1415 -0.1415 0.8097 0.8097 2.7396 2.7396 4.0184 4.0184 4.1267 4.1267 4.8057 4.8057 5.1264 5.1264 8.5151 8.5151 10.9494 10.9494 12.1715 12.1715 12.9223 12.9223 k = 0.5000 0.1815 0.5387 ( 4848 PWs) bands (ev): -44.3336 -44.3336 -44.3238 -44.3238 -16.4294 -16.4294 -16.3979 -16.3979 -16.2501 -16.2501 -16.2288 -16.2288 -16.1853 -16.1853 -16.1598 -16.1598 -11.2992 -11.2992 -10.7510 -10.7510 -2.2666 -2.2666 -2.0519 -2.0519 -0.7791 -0.7791 -0.4657 -0.4657 -0.1349 -0.1349 0.7561 0.7561 2.7245 2.7245 4.0448 4.0448 4.1447 4.1447 4.8319 4.8319 5.1417 5.1417 8.5271 8.5271 10.8496 10.8496 12.2811 12.2811 13.0135 13.0135 k = 0.5000 0.1815 0.5162 ( 4848 PWs) bands (ev): -44.3338 -44.3338 -44.3238 -44.3238 -16.4295 -16.4295 -16.3967 -16.3967 -16.2498 -16.2498 -16.2272 -16.2272 -16.1847 -16.1847 -16.1586 -16.1586 -11.3041 -11.3041 -10.7589 -10.7589 -2.2689 -2.2689 -2.0558 -2.0558 -0.7786 -0.7786 -0.4656 -0.4656 -0.1275 -0.1275 0.7048 0.7048 2.7100 2.7100 4.0707 4.0707 4.1633 4.1633 4.8585 4.8585 5.1568 5.1568 8.5395 8.5395 10.7505 10.7505 12.3911 12.3911 13.1082 13.1082 k = 0.5000 0.1815 0.4938 ( 4844 PWs) bands (ev): -44.3341 -44.3341 -44.3237 -44.3237 -16.4295 -16.4295 -16.3955 -16.3955 -16.2496 -16.2496 -16.2257 -16.2257 -16.1843 -16.1843 -16.1574 -16.1574 -11.3090 -11.3090 -10.7668 -10.7668 -2.2715 -2.2715 -2.0600 -2.0600 -0.7781 -0.7781 -0.4657 -0.4657 -0.1198 -0.1198 0.6557 0.6557 2.6958 2.6958 4.0958 4.0958 4.1823 4.1823 4.8855 4.8855 5.1718 5.1718 8.5519 8.5519 10.6529 10.6529 12.5008 12.5008 13.2061 13.2061 k = 0.5000 0.1815 0.4713 ( 4848 PWs) bands (ev): -44.3343 -44.3343 -44.3237 -44.3237 -16.4295 -16.4295 -16.3943 -16.3943 -16.2495 -16.2495 -16.2241 -16.2241 -16.1839 -16.1839 -16.1563 -16.1563 -11.3138 -11.3138 -10.7746 -10.7746 -2.2742 -2.2742 -2.0643 -2.0643 -0.7778 -0.7778 -0.4659 -0.4659 -0.1116 -0.1116 0.6089 0.6089 2.6822 2.6822 4.1202 4.1202 4.2017 4.2017 4.9128 4.9128 5.1866 5.1866 8.5644 8.5644 10.5570 10.5570 12.6097 12.6097 13.3072 13.3072 k = 0.5000 0.1815 0.4489 ( 4844 PWs) bands (ev): -44.3346 -44.3346 -44.3236 -44.3236 -16.4295 -16.4295 -16.3931 -16.3931 -16.2493 -16.2493 -16.2225 -16.2225 -16.1835 -16.1835 -16.1550 -16.1550 -11.3187 -11.3187 -10.7824 -10.7824 -2.2770 -2.2770 -2.0686 -2.0686 -0.7775 -0.7775 -0.4662 -0.4662 -0.1033 -0.1033 0.5645 0.5645 2.6690 2.6690 4.1438 4.1438 4.2214 4.2214 4.9401 4.9401 5.2012 5.2012 8.5769 8.5769 10.4633 10.4633 12.7176 12.7176 13.4111 13.4111 k = 0.5000 0.1815 0.4265 ( 4836 PWs) bands (ev): -44.3348 -44.3348 -44.3236 -44.3236 -16.4294 -16.4294 -16.3919 -16.3919 -16.2491 -16.2491 -16.2209 -16.2209 -16.1832 -16.1832 -16.1538 -16.1538 -11.3235 -11.3235 -10.7900 -10.7900 -2.2800 -2.2800 -2.0730 -2.0730 -0.7774 -0.7774 -0.4665 -0.4665 -0.0948 -0.0948 0.5224 0.5224 2.6564 2.6564 4.1667 4.1667 4.2412 4.2412 4.9676 4.9676 5.2156 5.2156 8.5892 8.5892 10.3720 10.3720 12.8243 12.8243 13.5175 13.5175 k = 0.5000 0.1815 0.4040 ( 4836 PWs) bands (ev): -44.3350 -44.3350 -44.3235 -44.3235 -16.4294 -16.4294 -16.3907 -16.3907 -16.2490 -16.2490 -16.2193 -16.2193 -16.1830 -16.1830 -16.1526 -16.1526 -11.3283 -11.3283 -10.7974 -10.7974 -2.2830 -2.2830 -2.0775 -2.0775 -0.7773 -0.7773 -0.4668 -0.4668 -0.0864 -0.0864 0.4827 0.4827 2.6442 2.6442 4.1887 4.1887 4.2609 4.2609 4.9949 4.9949 5.2296 5.2296 8.6012 8.6012 10.2834 10.2834 12.9296 12.9296 13.6257 13.6257 k = 0.5000 0.1815 0.3816 ( 4840 PWs) bands (ev): -44.3352 -44.3352 -44.3235 -44.3235 -16.4293 -16.4293 -16.3896 -16.3896 -16.2489 -16.2489 -16.2177 -16.2177 -16.1828 -16.1828 -16.1514 -16.1514 -11.3329 -11.3329 -10.8047 -10.8047 -2.2862 -2.2862 -2.0819 -2.0819 -0.7773 -0.7773 -0.4670 -0.4670 -0.0780 -0.0780 0.4454 0.4454 2.6327 2.6327 4.2099 4.2099 4.2805 4.2805 5.0219 5.0219 5.2434 5.2434 8.6130 8.6130 10.1977 10.1977 13.0335 13.0335 13.7353 13.7353 k = 0.5000 0.1815 0.3591 ( 4834 PWs) bands (ev): -44.3354 -44.3354 -44.3235 -44.3235 -16.4292 -16.4292 -16.3884 -16.3884 -16.2487 -16.2487 -16.2161 -16.2161 -16.1827 -16.1827 -16.1502 -16.1502 -11.3375 -11.3375 -10.8117 -10.8117 -2.2894 -2.2894 -2.0863 -2.0863 -0.7774 -0.7774 -0.4672 -0.4672 -0.0698 -0.0698 0.4104 0.4104 2.6216 2.6216 4.2302 4.2302 4.2997 4.2997 5.0485 5.0485 5.2568 5.2568 8.6244 8.6244 10.1153 10.1153 13.1358 13.1358 13.8454 13.8454 k = 0.5000 0.1815 0.3367 ( 4834 PWs) bands (ev): -44.3356 -44.3356 -44.3234 -44.3234 -16.4292 -16.4292 -16.3873 -16.3873 -16.2486 -16.2486 -16.2146 -16.2146 -16.1826 -16.1826 -16.1491 -16.1491 -11.3419 -11.3419 -10.8185 -10.8185 -2.2927 -2.2927 -2.0906 -2.0906 -0.7776 -0.7776 -0.4673 -0.4673 -0.0619 -0.0619 0.3777 0.3777 2.6112 2.6112 4.2497 4.2497 4.3185 4.3185 5.0745 5.0745 5.2699 5.2699 8.6353 8.6353 10.0362 10.0362 13.2363 13.2363 13.9554 13.9554 k = 0.5000 0.1815 0.3142 ( 4832 PWs) bands (ev): -44.3358 -44.3358 -44.3234 -44.3234 -16.4291 -16.4291 -16.3862 -16.3862 -16.2485 -16.2485 -16.2130 -16.2130 -16.1826 -16.1826 -16.1480 -16.1480 -11.3462 -11.3462 -10.8250 -10.8250 -2.2959 -2.2959 -2.0948 -2.0948 -0.7778 -0.7778 -0.4673 -0.4673 -0.0542 -0.0542 0.3474 0.3474 2.6014 2.6014 4.2683 4.2683 4.3368 4.3368 5.0997 5.0997 5.2827 5.2827 8.6458 8.6458 9.9607 9.9607 13.3349 13.3349 14.0641 14.0641 k = 0.5000 0.1815 0.2918 ( 4832 PWs) bands (ev): -44.3360 -44.3360 -44.3234 -44.3234 -16.4290 -16.4290 -16.3852 -16.3852 -16.2484 -16.2484 -16.2115 -16.2115 -16.1826 -16.1826 -16.1469 -16.1469 -11.3502 -11.3502 -10.8312 -10.8312 -2.2991 -2.2991 -2.0989 -2.0989 -0.7781 -0.7781 -0.4673 -0.4673 -0.0469 -0.0469 0.3195 0.3195 2.5921 2.5921 4.2859 4.2859 4.3542 4.3542 5.1239 5.1239 5.2952 5.2952 8.6557 8.6557 9.8891 9.8891 13.4313 13.4313 14.1702 14.1702 k = 0.5000 0.1815 0.2693 ( 4848 PWs) bands (ev): -44.3361 -44.3361 -44.3234 -44.3234 -16.4290 -16.4290 -16.3842 -16.3842 -16.2484 -16.2484 -16.2101 -16.2101 -16.1828 -16.1828 -16.1458 -16.1458 -11.3541 -11.3541 -10.8371 -10.8371 -2.3022 -2.3022 -2.1028 -2.1028 -0.7785 -0.7785 -0.4672 -0.4672 -0.0400 -0.0400 0.2938 0.2938 2.5835 2.5835 4.3025 4.3025 4.3709 4.3709 5.1470 5.1470 5.3072 5.3072 8.6649 8.6649 9.8216 9.8216 13.5251 13.5251 14.2619 14.2619 k = 0.5000 0.1815 0.2469 ( 4842 PWs) bands (ev): -44.3363 -44.3363 -44.3233 -44.3233 -16.4289 -16.4289 -16.3833 -16.3833 -16.2483 -16.2483 -16.2087 -16.2087 -16.1830 -16.1830 -16.1448 -16.1448 -11.3578 -11.3578 -10.8426 -10.8426 -2.3052 -2.3052 -2.1065 -2.1065 -0.7789 -0.7789 -0.4671 -0.4671 -0.0336 -0.0336 0.2704 0.2704 2.5756 2.5756 4.3181 4.3181 4.3866 4.3866 5.1686 5.1686 5.3190 5.3190 8.6736 8.6736 9.7584 9.7584 13.6157 13.6157 14.2552 14.2552 k = 0.5000 0.1815 0.2245 ( 4850 PWs) bands (ev): -44.3364 -44.3364 -44.3233 -44.3233 -16.4288 -16.4288 -16.3824 -16.3824 -16.2483 -16.2483 -16.2074 -16.2074 -16.1832 -16.1832 -16.1439 -16.1439 -11.3612 -11.3612 -10.8477 -10.8477 -2.3081 -2.3081 -2.1099 -2.1099 -0.7794 -0.7794 -0.4669 -0.4669 -0.0277 -0.0277 0.2492 0.2492 2.5682 2.5682 4.3327 4.3327 4.4012 4.4012 5.1887 5.1887 5.3303 5.3303 8.6816 8.6816 9.6997 9.6997 13.7025 13.7025 14.2466 14.2466 k = 0.5000 0.1815 0.2020 ( 4862 PWs) bands (ev): -44.3366 -44.3366 -44.3233 -44.3233 -16.4288 -16.4288 -16.3816 -16.3816 -16.2483 -16.2483 -16.2061 -16.2061 -16.1835 -16.1835 -16.1431 -16.1431 -11.3643 -11.3643 -10.8524 -10.8524 -2.3109 -2.3109 -2.1131 -2.1131 -0.7798 -0.7798 -0.4667 -0.4667 -0.0222 -0.0222 0.2302 0.2302 2.5616 2.5616 4.3460 4.3460 4.4147 4.4147 5.2070 5.2070 5.3413 5.3413 8.6889 8.6889 9.6458 9.6458 13.7844 13.7844 14.2408 14.2408 k = 0.5000 0.1815 0.1796 ( 4864 PWs) bands (ev): -44.3367 -44.3367 -44.3233 -44.3233 -16.4288 -16.4288 -16.3809 -16.3809 -16.2483 -16.2483 -16.2049 -16.2049 -16.1838 -16.1838 -16.1423 -16.1423 -11.3671 -11.3671 -10.8567 -10.8567 -2.3134 -2.3134 -2.1160 -2.1160 -0.7803 -0.7803 -0.4665 -0.4665 -0.0174 -0.0174 0.2134 0.2134 2.5556 2.5556 4.3582 4.3582 4.4270 4.4270 5.2234 5.2234 5.3517 5.3517 8.6954 8.6954 9.5969 9.5969 13.8599 13.8599 14.2390 14.2390 k = 0.5000 0.1815 0.1571 ( 4864 PWs) bands (ev): -44.3368 -44.3368 -44.3233 -44.3233 -16.4287 -16.4287 -16.3802 -16.3802 -16.2482 -16.2482 -16.2038 -16.2038 -16.1841 -16.1841 -16.1415 -16.1415 -11.3697 -11.3697 -10.8605 -10.8605 -2.3157 -2.3157 -2.1187 -2.1187 -0.7807 -0.7807 -0.4663 -0.4663 -0.0130 -0.0130 0.1987 0.1987 2.5503 2.5503 4.3691 4.3691 4.4381 4.4381 5.2378 5.2378 5.3615 5.3615 8.7013 8.7013 9.5531 9.5531 13.9269 13.9269 14.2427 14.2427 k = 0.5000 0.1815 0.1347 ( 4864 PWs) bands (ev): -44.3369 -44.3369 -44.3233 -44.3233 -16.4287 -16.4287 -16.3796 -16.3796 -16.2482 -16.2482 -16.2027 -16.2027 -16.1844 -16.1844 -16.1408 -16.1408 -11.3719 -11.3719 -10.8639 -10.8639 -2.3178 -2.3178 -2.1210 -2.1210 -0.7811 -0.7811 -0.4661 -0.4661 -0.0093 -0.0093 0.1860 0.1860 2.5457 2.5457 4.3787 4.3787 4.4478 4.4478 5.2502 5.2502 5.3706 5.3706 8.7064 8.7064 9.5147 9.5147 13.9826 13.9826 14.2541 14.2541 k = 0.5000 0.1815 0.1122 ( 4860 PWs) bands (ev): -44.3369 -44.3369 -44.3233 -44.3233 -16.4286 -16.4286 -16.3791 -16.3791 -16.2482 -16.2482 -16.2018 -16.2018 -16.1847 -16.1847 -16.1403 -16.1403 -11.3739 -11.3739 -10.8667 -10.8667 -2.3195 -2.3195 -2.1230 -2.1230 -0.7815 -0.7815 -0.4659 -0.4659 -0.0062 -0.0062 0.1754 0.1754 2.5418 2.5418 4.3869 4.3869 4.4561 4.4561 5.2606 5.2606 5.3788 5.3788 8.7107 8.7107 9.4819 9.4819 14.0246 14.0246 14.2746 14.2746 k = 0.5000 0.1815 0.0898 ( 4856 PWs) bands (ev): -44.3370 -44.3370 -44.3232 -44.3232 -16.4286 -16.4286 -16.3786 -16.3786 -16.2481 -16.2481 -16.2010 -16.2010 -16.1850 -16.1850 -16.1398 -16.1398 -11.3754 -11.3754 -10.8691 -10.8691 -2.3210 -2.3210 -2.1246 -2.1246 -0.7818 -0.7818 -0.4657 -0.4657 -0.0036 -0.0036 0.1669 0.1669 2.5386 2.5386 4.3936 4.3936 4.4630 4.4630 5.2689 5.2689 5.3858 5.3858 8.7143 8.7143 9.4548 9.4548 14.0527 14.0527 14.3035 14.3035 k = 0.5000 0.1815 0.0673 ( 4856 PWs) bands (ev): -44.3370 -44.3370 -44.3232 -44.3232 -16.4285 -16.4285 -16.3783 -16.3783 -16.2481 -16.2481 -16.2003 -16.2003 -16.1853 -16.1853 -16.1394 -16.1394 -11.3767 -11.3767 -10.8710 -10.8710 -2.3222 -2.3222 -2.1259 -2.1259 -0.7821 -0.7821 -0.4655 -0.4655 -0.0016 -0.0016 0.1602 0.1602 2.5361 2.5361 4.3989 4.3989 4.4683 4.4683 5.2753 5.2753 5.3915 5.3915 8.7170 8.7170 9.4336 9.4336 14.0696 14.0696 14.3365 14.3365 k = 0.5000 0.1815 0.0449 ( 4852 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4285 -16.4285 -16.3781 -16.3781 -16.2481 -16.2481 -16.1999 -16.1999 -16.1854 -16.1854 -16.1392 -16.1392 -11.3776 -11.3776 -10.8723 -10.8723 -2.3231 -2.3231 -2.1268 -2.1268 -0.7823 -0.7823 -0.4654 -0.4654 -0.0002 -0.0002 0.1555 0.1555 2.5343 2.5343 4.4027 4.4027 4.4722 4.4722 5.2799 5.2799 5.3958 5.3958 8.7190 8.7190 9.4184 9.4184 14.0790 14.0790 14.3675 14.3675 k = 0.5000 0.1815 0.0224 ( 4852 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4285 -16.4285 -16.3779 -16.3779 -16.2481 -16.2481 -16.1996 -16.1996 -16.1856 -16.1856 -16.1390 -16.1390 -11.3781 -11.3781 -10.8731 -10.8731 -2.3236 -2.3236 -2.1274 -2.1274 -0.7824 -0.7824 -0.4654 -0.4654 0.0006 0.0006 0.1527 0.1527 2.5333 2.5333 4.4050 4.4050 4.4745 4.4745 5.2826 5.2826 5.3983 5.3983 8.7202 8.7202 9.4092 9.4092 14.0836 14.0836 14.3902 14.3902 k = 0.5000 0.1815-0.0000 ( 4856 PWs) bands (ev): -44.3371 -44.3371 -44.3232 -44.3232 -16.4285 -16.4285 -16.3779 -16.3779 -16.2481 -16.2481 -16.1995 -16.1995 -16.1856 -16.1856 -16.1390 -16.1390 -11.3783 -11.3783 -10.8733 -10.8733 -2.3237 -2.3237 -2.1276 -2.1276 -0.7825 -0.7825 -0.4653 -0.4653 0.0009 0.0009 0.1518 0.1518 2.5329 2.5329 4.4058 4.4058 4.4753 4.4753 5.2835 5.2835 5.3992 5.3992 8.7206 8.7206 9.4061 9.4061 14.0849 14.0849 14.3986 14.3986 k = 0.0000 0.0000 1.4657 ( 4832 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4158 -16.4158 -16.4151 -16.4151 -16.2580 -16.2580 -16.2573 -16.2573 -16.1941 -16.1941 -16.1939 -16.1939 -11.2236 -11.2236 -10.5815 -10.5815 -2.2792 -2.2792 -2.0708 -2.0708 -0.8227 -0.8227 -0.7134 -0.7134 0.2235 0.2235 3.0849 3.0849 3.3231 3.3231 3.4876 3.4876 3.5241 3.5241 4.3327 4.3327 4.7283 4.7283 8.7889 8.7889 9.6648 9.6648 11.1431 11.1431 12.1864 12.1864 k = 0.0208 0.0076 1.4657 ( 4828 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4158 -16.4158 -16.4151 -16.4151 -16.2580 -16.2580 -16.2573 -16.2573 -16.1941 -16.1941 -16.1939 -16.1939 -11.2236 -11.2236 -10.5815 -10.5815 -2.2792 -2.2792 -2.0708 -2.0708 -0.8226 -0.8226 -0.7134 -0.7134 0.2235 0.2235 3.0854 3.0854 3.3233 3.3233 3.4859 3.4859 3.5244 3.5244 4.3347 4.3347 4.7270 4.7270 8.7891 8.7891 9.6647 9.6647 11.1434 11.1434 12.1855 12.1855 k = 0.0417 0.0151 1.4657 ( 4820 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4157 -16.4157 -16.4151 -16.4151 -16.2579 -16.2579 -16.2573 -16.2573 -16.1941 -16.1941 -16.1939 -16.1939 -11.2236 -11.2236 -10.5815 -10.5815 -2.2792 -2.2792 -2.0708 -2.0708 -0.8226 -0.8226 -0.7134 -0.7134 0.2235 0.2235 3.0869 3.0869 3.3237 3.3237 3.4811 3.4811 3.5254 3.5254 4.3406 4.3406 4.7229 4.7229 8.7896 8.7896 9.6643 9.6643 11.1444 11.1444 12.1830 12.1830 k = 0.0625 0.0227 1.4657 ( 4820 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4157 -16.4157 -16.4152 -16.4152 -16.2579 -16.2579 -16.2574 -16.2574 -16.1941 -16.1941 -16.1939 -16.1939 -11.2236 -11.2236 -10.5815 -10.5815 -2.2792 -2.2792 -2.0708 -2.0708 -0.8225 -0.8225 -0.7135 -0.7135 0.2234 0.2234 3.0892 3.0892 3.3244 3.3244 3.4738 3.4738 3.5265 3.5265 4.3503 4.3503 4.7162 4.7162 8.7905 8.7905 9.6636 9.6636 11.1459 11.1459 12.1790 12.1790 k = 0.0833 0.0302 1.4657 ( 4812 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4157 -16.4157 -16.4151 -16.4151 -16.2579 -16.2579 -16.2573 -16.2573 -16.1940 -16.1940 -16.1939 -16.1939 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0708 -2.0708 -0.8224 -0.8224 -0.7136 -0.7136 0.2234 0.2234 3.0924 3.0924 3.3254 3.3254 3.4644 3.4644 3.5275 3.5275 4.3634 4.3634 4.7070 4.7070 8.7917 8.7917 9.6627 9.6627 11.1479 11.1479 12.1737 12.1737 k = 0.1042 0.0378 1.4657 ( 4804 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4157 -16.4157 -16.4151 -16.4151 -16.2578 -16.2578 -16.2573 -16.2573 -16.1940 -16.1940 -16.1939 -16.1939 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0709 -2.0709 -0.8223 -0.8223 -0.7137 -0.7137 0.2234 0.2234 3.0962 3.0962 3.3267 3.3267 3.4537 3.4537 3.5285 3.5285 4.3793 4.3793 4.6954 4.6954 8.7930 8.7930 9.6617 9.6617 11.1503 11.1503 12.1676 12.1676 k = 0.1250 0.0454 1.4657 ( 4808 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4156 -16.4156 -16.4151 -16.4151 -16.2578 -16.2578 -16.2574 -16.2574 -16.1940 -16.1940 -16.1939 -16.1939 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0709 -2.0709 -0.8222 -0.8222 -0.7138 -0.7138 0.2234 0.2234 3.1004 3.1004 3.3285 3.3285 3.4421 3.4421 3.5292 3.5292 4.3975 4.3975 4.6817 4.6817 8.7945 8.7945 9.6606 9.6606 11.1529 11.1529 12.1611 12.1611 k = 0.1458 0.0529 1.4657 ( 4808 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4156 -16.4156 -16.4152 -16.4152 -16.2578 -16.2578 -16.2574 -16.2574 -16.1940 -16.1940 -16.1939 -16.1939 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0709 -2.0709 -0.8221 -0.8221 -0.7139 -0.7139 0.2234 0.2234 3.1048 3.1048 3.3307 3.3307 3.4301 3.4301 3.5298 3.5298 4.4175 4.4175 4.6661 4.6661 8.7960 8.7960 9.6595 9.6595 11.1555 11.1555 12.1546 12.1546 k = 0.1667 0.0605 1.4657 ( 4820 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4157 -16.4157 -16.4152 -16.4152 -16.2579 -16.2579 -16.2574 -16.2574 -16.1940 -16.1940 -16.1939 -16.1939 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0709 -2.0709 -0.8220 -0.8220 -0.7140 -0.7140 0.2234 0.2234 3.1090 3.1090 3.3333 3.3333 3.4184 3.4184 3.5302 3.5302 4.4385 4.4385 4.6492 4.6492 8.7973 8.7973 9.6585 9.6585 11.1579 11.1579 12.1485 12.1485 k = 0.1875 0.0680 1.4657 ( 4842 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4158 -16.4158 -16.4153 -16.4153 -16.2580 -16.2580 -16.2575 -16.2575 -16.1941 -16.1941 -16.1940 -16.1940 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0709 -2.0709 -0.8220 -0.8220 -0.7141 -0.7141 0.2234 0.2234 3.1127 3.1127 3.3363 3.3363 3.4075 3.4075 3.5305 3.5305 4.4595 4.4595 4.6315 4.6315 8.7985 8.7985 9.6576 9.6576 11.1600 11.1600 12.1432 12.1432 k = 0.2083 0.0756 1.4657 ( 4838 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4157 -16.4157 -16.4153 -16.4153 -16.2579 -16.2579 -16.2575 -16.2575 -16.1941 -16.1941 -16.1940 -16.1940 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0709 -2.0709 -0.8219 -0.8219 -0.7142 -0.7142 0.2234 0.2234 3.1157 3.1157 3.3394 3.3394 3.3984 3.3984 3.5307 3.5307 4.4791 4.4791 4.6145 4.6145 8.7994 8.7994 9.6570 9.6570 11.1616 11.1616 12.1392 12.1392 k = 0.2292 0.0832 1.4657 ( 4844 PWs) bands (ev): -44.3254 -44.3254 -44.3253 -44.3253 -16.4158 -16.4158 -16.4153 -16.4153 -16.2580 -16.2580 -16.2575 -16.2575 -16.1941 -16.1941 -16.1940 -16.1940 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0709 -2.0709 -0.8219 -0.8219 -0.7143 -0.7143 0.2234 0.2234 3.1176 3.1176 3.3420 3.3420 3.3920 3.3920 3.5308 3.5308 4.4945 4.4945 4.6007 4.6007 8.8000 8.8000 9.6565 9.6565 11.1626 11.1626 12.1367 12.1367 k = 0.2500 0.0907 1.4657 ( 4840 PWs) bands (ev): -44.3253 -44.3253 -44.3253 -44.3253 -16.4157 -16.4157 -16.4153 -16.4153 -16.2579 -16.2579 -16.2575 -16.2575 -16.1940 -16.1940 -16.1940 -16.1940 -11.2236 -11.2236 -10.5815 -10.5815 -2.2791 -2.2791 -2.0709 -2.0709 -0.8218 -0.8218 -0.7143 -0.7143 0.2234 0.2234 3.1183 3.1183 3.3430 3.3430 3.3897 3.3897 3.5308 3.5308 4.5007 4.5007 4.5951 4.5951 8.8002 8.8002 9.6564 9.6564 11.1630 11.1630 12.1358 12.1358 Writing output data file Na2HgO2.save init_run : 0.38s CPU 0.55s WALL ( 1 calls) electrons : 361.36s CPU 364.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 361.35s CPU 364.72s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.06s WALL ( 388 calls) cegterg : 336.62s CPU 339.29s WALL ( 624 calls) Called by sum_band: Called by *egterg: h_psi : 267.02s CPU 269.69s WALL ( 10740 calls) s_psi : 3.72s CPU 3.63s WALL ( 10740 calls) g_psi : 0.46s CPU 0.38s WALL ( 9728 calls) cdiaghg : 63.26s CPU 63.66s WALL ( 10116 calls) cegterg:over : 8.55s CPU 8.62s WALL ( 9728 calls) cegterg:upda : 7.50s CPU 7.80s WALL ( 9728 calls) cegterg:last : 4.38s CPU 4.38s WALL ( 1784 calls) cdiaghg:chol : 3.54s CPU 3.63s WALL ( 10116 calls) cdiaghg:inve : 2.40s CPU 2.31s WALL ( 10116 calls) cdiaghg:para : 3.71s CPU 3.73s WALL ( 20232 calls) Called by h_psi: h_psi:vloc : 257.62s CPU 259.77s WALL ( 10740 calls) h_psi:vnl : 9.00s CPU 9.55s WALL ( 10740 calls) add_vuspsi : 4.00s CPU 4.26s WALL ( 10740 calls) General routines calbec : 4.98s CPU 5.27s WALL ( 10740 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 236.65s CPU 238.49s WALL ( 1046396 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.23s CPU 0.34s WALL ( 776 calls) Parallel routines fft_scatter : 65.84s CPU 66.73s WALL ( 1046419 calls) PWSCF : 6m22.30s CPU 6m51.35s WALL This run was terminated on: 20: 2:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=