Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:27:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HgH2C2I2N.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 76 33 9 4792 1391 209 Max 77 34 10 4797 1425 215 Sum 5493 2423 689 345179 101507 15263 bravais-lattice index = 14 lattice parameter (alat) = 13.4303 a.u. unit-cell volume = 2409.0089 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 5 number of electrons = 82.00 number of Kohn-Sham states= 98 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.430283 celldm(2)= 1.000985 celldm(3)= 1.186999 celldm(4)= -0.099667 celldm(5)= -0.330514 celldm(6)= -0.392979 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.393366 0.920453 0.000000 ) a(3) = ( -0.392320 -0.296318 1.080392 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.427362 0.480340 ) b(2) = ( 0.000000 1.086421 0.297972 ) b(3) = ( 0.000000 0.000000 0.925590 ) 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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. # 4 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 5 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) H 1.00 1.00790 H( 1.00) I 7.00 126.90450 I( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 202 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.5432107 -0.1489858), wk = 0.0049505 k( 2) = ( 0.0000000 -0.5214823 -0.1430264), wk = 0.0049505 k( 3) = ( 0.0000000 -0.4997539 -0.1370670), wk = 0.0049505 k( 4) = ( 0.0000000 -0.4780255 -0.1311075), wk = 0.0049505 k( 5) = ( 0.0000000 -0.4562970 -0.1251481), wk = 0.0049505 k( 6) = ( 0.0000000 -0.4345686 -0.1191887), wk = 0.0049505 k( 7) = ( 0.0000000 -0.4128402 -0.1132292), wk = 0.0049505 k( 8) = ( 0.0000000 -0.3911117 -0.1072698), wk = 0.0049505 k( 9) = ( 0.0000000 -0.3693833 -0.1013104), wk = 0.0049505 k( 10) = ( 0.0000000 -0.3476549 -0.0953509), wk = 0.0049505 k( 11) = ( 0.0000000 -0.3259264 -0.0893915), wk = 0.0049505 k( 12) = ( 0.0000000 -0.3041980 -0.0834321), wk = 0.0049505 k( 13) = ( 0.0000000 -0.2824696 -0.0774726), wk = 0.0049505 k( 14) = ( 0.0000000 -0.2607412 -0.0715132), wk = 0.0049505 k( 15) = ( 0.0000000 -0.2390127 -0.0655538), wk = 0.0049505 k( 16) = ( 0.0000000 -0.2172843 -0.0595943), wk = 0.0049505 k( 17) = ( 0.0000000 -0.1955559 -0.0536349), wk = 0.0049505 k( 18) = ( 0.0000000 -0.1738274 -0.0476755), wk = 0.0049505 k( 19) = ( 0.0000000 -0.1520990 -0.0417160), wk = 0.0049505 k( 20) = ( 0.0000000 -0.1303706 -0.0357566), wk = 0.0049505 k( 21) = ( 0.0000000 -0.1086421 -0.0297972), wk = 0.0049505 k( 22) = ( 0.0000000 -0.0869137 -0.0238377), wk = 0.0049505 k( 23) = ( 0.0000000 -0.0651853 -0.0178783), wk = 0.0049505 k( 24) = ( 0.0000000 -0.0434569 -0.0119189), wk = 0.0049505 k( 25) = ( 0.0000000 -0.0217284 -0.0059594), wk = 0.0049505 k( 26) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 27) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 28) = ( 0.0185185 0.0079141 0.0088952), wk = 0.0049505 k( 29) = ( 0.0370370 0.0158282 0.0177904), wk = 0.0049505 k( 30) = ( 0.0555556 0.0237423 0.0266855), wk = 0.0049505 k( 31) = ( 0.0740741 0.0316564 0.0355807), wk = 0.0049505 k( 32) = ( 0.0925926 0.0395705 0.0444759), wk = 0.0049505 k( 33) = ( 0.1111111 0.0474846 0.0533711), wk = 0.0049505 k( 34) = ( 0.1296296 0.0553987 0.0622663), wk = 0.0049505 k( 35) = ( 0.1481482 0.0633128 0.0711614), wk = 0.0049505 k( 36) = ( 0.1666667 0.0712269 0.0800566), wk = 0.0049505 k( 37) = ( 0.1851852 0.0791410 0.0889518), wk = 0.0049505 k( 38) = ( 0.2037037 0.0870551 0.0978470), wk = 0.0049505 k( 39) = ( 0.2222222 0.0949692 0.1067421), wk = 0.0049505 k( 40) = ( 0.2407407 0.1028833 0.1156373), wk = 0.0049505 k( 41) = ( 0.2592593 0.1107974 0.1245325), wk = 0.0049505 k( 42) = ( 0.2777778 0.1187115 0.1334277), wk = 0.0049505 k( 43) = ( 0.2962963 0.1266256 0.1423229), wk = 0.0049505 k( 44) = ( 0.3148148 0.1345397 0.1512180), wk = 0.0049505 k( 45) = ( 0.3333333 0.1424538 0.1601132), wk = 0.0049505 k( 46) = ( 0.3518519 0.1503679 0.1690084), wk = 0.0049505 k( 47) = ( 0.3703704 0.1582821 0.1779036), wk = 0.0049505 k( 48) = ( 0.3888889 0.1661962 0.1867988), wk = 0.0049505 k( 49) = ( 0.4074074 0.1741103 0.1956939), wk = 0.0049505 k( 50) = ( 0.4259259 0.1820244 0.2045891), wk = 0.0049505 k( 51) = ( 0.4444444 0.1899385 0.2134843), wk = 0.0049505 k( 52) = ( 0.4629630 0.1978526 0.2223795), wk = 0.0049505 k( 53) = ( 0.4814815 0.2057667 0.2312746), wk = 0.0049505 k( 54) = ( 0.5000000 0.2136808 0.2401698), wk = 0.0049505 k( 55) = ( 0.5000000 -0.3295300 0.0911840), wk = 0.0049505 k( 56) = ( 0.4814815 -0.3173252 0.0878068), wk = 0.0049505 k( 57) = ( 0.4629630 -0.3051203 0.0844296), wk = 0.0049505 k( 58) = ( 0.4444444 -0.2929155 0.0810524), wk = 0.0049505 k( 59) = ( 0.4259259 -0.2807107 0.0776753), wk = 0.0049505 k( 60) = ( 0.4074074 -0.2685059 0.0742981), wk = 0.0049505 k( 61) = ( 0.3888889 -0.2563011 0.0709209), wk = 0.0049505 k( 62) = ( 0.3703704 -0.2440963 0.0675437), wk = 0.0049505 k( 63) = ( 0.3518519 -0.2318915 0.0641665), wk = 0.0049505 k( 64) = ( 0.3333333 -0.2196866 0.0607893), wk = 0.0049505 k( 65) = ( 0.3148148 -0.2074818 0.0574121), wk = 0.0049505 k( 66) = ( 0.2962963 -0.1952770 0.0540350), wk = 0.0049505 k( 67) = ( 0.2777778 -0.1830722 0.0506578), wk = 0.0049505 k( 68) = ( 0.2592593 -0.1708674 0.0472806), wk = 0.0049505 k( 69) = ( 0.2407407 -0.1586626 0.0439034), wk = 0.0049505 k( 70) = ( 0.2222222 -0.1464578 0.0405262), wk = 0.0049505 k( 71) = ( 0.2037037 -0.1342530 0.0371490), wk = 0.0049505 k( 72) = ( 0.1851852 -0.1220481 0.0337719), wk = 0.0049505 k( 73) = ( 0.1666667 -0.1098433 0.0303947), wk = 0.0049505 k( 74) = ( 0.1481482 -0.0976385 0.0270175), wk = 0.0049505 k( 75) = ( 0.1296296 -0.0854337 0.0236403), wk = 0.0049505 k( 76) = ( 0.1111111 -0.0732289 0.0202631), wk = 0.0049505 k( 77) = ( 0.0925926 -0.0610241 0.0168859), wk = 0.0049505 k( 78) = ( 0.0740741 -0.0488193 0.0135087), wk = 0.0049505 k( 79) = ( 0.0555556 -0.0366144 0.0101316), wk = 0.0049505 k( 80) = ( 0.0370370 -0.0244096 0.0067544), wk = 0.0049505 k( 81) = ( 0.0185185 -0.0122048 0.0033772), wk = 0.0049505 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 84) = ( -0.0192308 -0.0082185 0.0085625), wk = 0.0049505 k( 85) = ( -0.0384615 -0.0164370 0.0171250), wk = 0.0049505 k( 86) = ( -0.0576923 -0.0246555 0.0256875), wk = 0.0049505 k( 87) = ( -0.0769231 -0.0328740 0.0342500), wk = 0.0049505 k( 88) = ( -0.0961538 -0.0410925 0.0428125), wk = 0.0049505 k( 89) = ( -0.1153846 -0.0493109 0.0513751), wk = 0.0049505 k( 90) = ( -0.1346154 -0.0575294 0.0599376), wk = 0.0049505 k( 91) = ( -0.1538461 -0.0657479 0.0685001), wk = 0.0049505 k( 92) = ( -0.1730769 -0.0739664 0.0770626), wk = 0.0049505 k( 93) = ( -0.1923077 -0.0821849 0.0856251), wk = 0.0049505 k( 94) = ( -0.2115385 -0.0904034 0.0941876), wk = 0.0049505 k( 95) = ( -0.2307692 -0.0986219 0.1027501), wk = 0.0049505 k( 96) = ( -0.2500000 -0.1068404 0.1113126), wk = 0.0049505 k( 97) = ( -0.2692308 -0.1150589 0.1198751), wk = 0.0049505 k( 98) = ( -0.2884615 -0.1232774 0.1284376), wk = 0.0049505 k( 99) = ( -0.3076923 -0.1314959 0.1370001), wk = 0.0049505 k( 100) = ( -0.3269231 -0.1397143 0.1455626), wk = 0.0049505 k( 101) = ( -0.3461538 -0.1479328 0.1541252), wk = 0.0049505 k( 102) = ( -0.3653846 -0.1561513 0.1626877), wk = 0.0049505 k( 103) = ( -0.3846154 -0.1643698 0.1712502), wk = 0.0049505 k( 104) = ( -0.4038462 -0.1725883 0.1798127), wk = 0.0049505 k( 105) = ( -0.4230769 -0.1808068 0.1883752), wk = 0.0049505 k( 106) = ( -0.4423077 -0.1890253 0.1969377), wk = 0.0049505 k( 107) = ( -0.4615385 -0.1972438 0.2055002), wk = 0.0049505 k( 108) = ( -0.4807692 -0.2054623 0.2140627), wk = 0.0049505 k( 109) = ( -0.5000000 -0.2136808 0.2226252), wk = 0.0049505 k( 110) = ( -0.5000000 -0.7568915 0.0736394), wk = 0.0049505 k( 111) = ( -0.4878049 -0.7384307 0.0718433), wk = 0.0049505 k( 112) = ( -0.4756098 -0.7199700 0.0700472), wk = 0.0049505 k( 113) = ( -0.4634146 -0.7015092 0.0682511), wk = 0.0049505 k( 114) = ( -0.4512195 -0.6830484 0.0664551), wk = 0.0049505 k( 115) = ( -0.4390244 -0.6645877 0.0646590), wk = 0.0049505 k( 116) = ( -0.4268293 -0.6461269 0.0628629), wk = 0.0049505 k( 117) = ( -0.4146341 -0.6276661 0.0610668), wk = 0.0049505 k( 118) = ( -0.4024390 -0.6092054 0.0592707), wk = 0.0049505 k( 119) = ( -0.3902439 -0.5907446 0.0574746), wk = 0.0049505 k( 120) = ( -0.3780488 -0.5722838 0.0556786), wk = 0.0049505 k( 121) = ( -0.3658537 -0.5538231 0.0538825), wk = 0.0049505 k( 122) = ( -0.3536585 -0.5353623 0.0520864), wk = 0.0049505 k( 123) = ( -0.3414634 -0.5169015 0.0502903), wk = 0.0049505 k( 124) = ( -0.3292683 -0.4984407 0.0484942), wk = 0.0049505 k( 125) = ( -0.3170732 -0.4799800 0.0466982), wk = 0.0049505 k( 126) = ( -0.3048781 -0.4615192 0.0449021), wk = 0.0049505 k( 127) = ( -0.2926829 -0.4430585 0.0431060), wk = 0.0049505 k( 128) = ( -0.2804878 -0.4245977 0.0413099), wk = 0.0049505 k( 129) = ( -0.2682927 -0.4061369 0.0395138), wk = 0.0049505 k( 130) = ( -0.2560976 -0.3876761 0.0377177), wk = 0.0049505 k( 131) = ( -0.2439024 -0.3692154 0.0359217), wk = 0.0049505 k( 132) = ( -0.2317073 -0.3507546 0.0341256), wk = 0.0049505 k( 133) = ( -0.2195122 -0.3322938 0.0323295), wk = 0.0049505 k( 134) = ( -0.2073171 -0.3138331 0.0305334), wk = 0.0049505 k( 135) = ( -0.1951219 -0.2953723 0.0287373), wk = 0.0049505 k( 136) = ( -0.1829268 -0.2769115 0.0269412), wk = 0.0049505 k( 137) = ( -0.1707317 -0.2584508 0.0251452), wk = 0.0049505 k( 138) = ( -0.1585366 -0.2399900 0.0233491), wk = 0.0049505 k( 139) = ( -0.1463415 -0.2215292 0.0215530), wk = 0.0049505 k( 140) = ( -0.1341463 -0.2030685 0.0197569), wk = 0.0049505 k( 141) = ( -0.1219512 -0.1846077 0.0179608), wk = 0.0049505 k( 142) = ( -0.1097561 -0.1661469 0.0161647), wk = 0.0049505 k( 143) = ( -0.0975610 -0.1476862 0.0143687), wk = 0.0049505 k( 144) = ( -0.0853658 -0.1292254 0.0125726), wk = 0.0049505 k( 145) = ( -0.0731707 -0.1107646 0.0107765), wk = 0.0049505 k( 146) = ( -0.0609756 -0.0923038 0.0089804), wk = 0.0049505 k( 147) = ( -0.0487805 -0.0738431 0.0071843), wk = 0.0049505 k( 148) = ( -0.0365854 -0.0553823 0.0053882), wk = 0.0049505 k( 149) = ( -0.0243902 -0.0369215 0.0035922), wk = 0.0049505 k( 150) = ( -0.0121951 -0.0184608 0.0017961), wk = 0.0049505 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 153) = ( 0.0000000 0.0000000 0.0220379), wk = 0.0049505 k( 154) = ( 0.0000000 0.0000000 0.0440757), wk = 0.0049505 k( 155) = ( 0.0000000 0.0000000 0.0661136), wk = 0.0049505 k( 156) = ( 0.0000000 0.0000000 0.0881514), wk = 0.0049505 k( 157) = ( 0.0000000 0.0000000 0.1101893), wk = 0.0049505 k( 158) = ( 0.0000000 0.0000000 0.1322272), wk = 0.0049505 k( 159) = ( 0.0000000 0.0000000 0.1542650), wk = 0.0049505 k( 160) = ( 0.0000000 0.0000000 0.1763029), wk = 0.0049505 k( 161) = ( 0.0000000 0.0000000 0.1983407), wk = 0.0049505 k( 162) = ( 0.0000000 0.0000000 0.2203786), wk = 0.0049505 k( 163) = ( 0.0000000 0.0000000 0.2424165), wk = 0.0049505 k( 164) = ( 0.0000000 0.0000000 0.2644543), wk = 0.0049505 k( 165) = ( 0.0000000 0.0000000 0.2864922), wk = 0.0049505 k( 166) = ( 0.0000000 0.0000000 0.3085300), wk = 0.0049505 k( 167) = ( 0.0000000 0.0000000 0.3305679), wk = 0.0049505 k( 168) = ( 0.0000000 0.0000000 0.3526057), wk = 0.0049505 k( 169) = ( 0.0000000 0.0000000 0.3746436), wk = 0.0049505 k( 170) = ( 0.0000000 0.0000000 0.3966815), wk = 0.0049505 k( 171) = ( 0.0000000 0.0000000 0.4187193), wk = 0.0049505 k( 172) = ( 0.0000000 0.0000000 0.4407572), wk = 0.0049505 k( 173) = ( 0.0000000 0.0000000 0.4627950), wk = 0.0049505 k( 174) = ( 0.0000000 -0.5432107 0.3138092), wk = 0.0049505 k( 175) = ( 0.0000000 -0.5238104 0.3026017), wk = 0.0049505 k( 176) = ( 0.0000000 -0.5044100 0.2913943), wk = 0.0049505 k( 177) = ( 0.0000000 -0.4850096 0.2801868), wk = 0.0049505 k( 178) = ( 0.0000000 -0.4656092 0.2689793), wk = 0.0049505 k( 179) = ( 0.0000000 -0.4462088 0.2577719), wk = 0.0049505 k( 180) = ( 0.0000000 -0.4268084 0.2465644), wk = 0.0049505 k( 181) = ( 0.0000000 -0.4074081 0.2353569), wk = 0.0049505 k( 182) = ( 0.0000000 -0.3880077 0.2241494), wk = 0.0049505 k( 183) = ( 0.0000000 -0.3686073 0.2129420), wk = 0.0049505 k( 184) = ( 0.0000000 -0.3492069 0.2017345), wk = 0.0049505 k( 185) = ( 0.0000000 -0.3298065 0.1905270), wk = 0.0049505 k( 186) = ( 0.0000000 -0.3104061 0.1793196), wk = 0.0049505 k( 187) = ( 0.0000000 -0.2910058 0.1681121), wk = 0.0049505 k( 188) = ( 0.0000000 -0.2716054 0.1569046), wk = 0.0049505 k( 189) = ( 0.0000000 -0.2522050 0.1456971), wk = 0.0049505 k( 190) = ( 0.0000000 -0.2328046 0.1344897), wk = 0.0049505 k( 191) = ( 0.0000000 -0.2134042 0.1232822), wk = 0.0049505 k( 192) = ( 0.0000000 -0.1940038 0.1120747), wk = 0.0049505 k( 193) = ( 0.0000000 -0.1746035 0.1008673), wk = 0.0049505 k( 194) = ( 0.0000000 -0.1552031 0.0896598), wk = 0.0049505 k( 195) = ( 0.0000000 -0.1358027 0.0784523), wk = 0.0049505 k( 196) = ( 0.0000000 -0.1164023 0.0672448), wk = 0.0049505 k( 197) = ( 0.0000000 -0.0970019 0.0560374), wk = 0.0049505 k( 198) = ( 0.0000000 -0.0776015 0.0448299), wk = 0.0049505 k( 199) = ( 0.0000000 -0.0582012 0.0336224), wk = 0.0049505 k( 200) = ( 0.0000000 -0.0388008 0.0224149), wk = 0.0049505 k( 201) = ( 0.0000000 -0.0194004 0.0112075), wk = 0.0049505 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0049505 k( 2) = ( 0.0000000 -0.4800000 0.0000000), wk = 0.0049505 k( 3) = ( 0.0000000 -0.4600000 0.0000000), wk = 0.0049505 k( 4) = ( 0.0000000 -0.4400000 0.0000000), wk = 0.0049505 k( 5) = ( 0.0000000 -0.4200000 -0.0000000), wk = 0.0049505 k( 6) = ( 0.0000000 -0.4000000 -0.0000000), wk = 0.0049505 k( 7) = ( 0.0000000 -0.3800000 0.0000000), wk = 0.0049505 k( 8) = ( 0.0000000 -0.3600000 -0.0000000), wk = 0.0049505 k( 9) = ( 0.0000000 -0.3400000 -0.0000000), wk = 0.0049505 k( 10) = ( 0.0000000 -0.3200000 0.0000000), wk = 0.0049505 k( 11) = ( 0.0000000 -0.3000000 -0.0000000), wk = 0.0049505 k( 12) = ( 0.0000000 -0.2800000 -0.0000000), wk = 0.0049505 k( 13) = ( 0.0000000 -0.2600000 0.0000000), wk = 0.0049505 k( 14) = ( 0.0000000 -0.2400000 0.0000000), wk = 0.0049505 k( 15) = ( 0.0000000 -0.2200000 0.0000000), wk = 0.0049505 k( 16) = ( 0.0000000 -0.2000000 -0.0000000), wk = 0.0049505 k( 17) = ( 0.0000000 -0.1800000 -0.0000000), wk = 0.0049505 k( 18) = ( 0.0000000 -0.1600000 0.0000000), wk = 0.0049505 k( 19) = ( 0.0000000 -0.1400000 -0.0000000), wk = 0.0049505 k( 20) = ( 0.0000000 -0.1200000 0.0000000), wk = 0.0049505 k( 21) = ( 0.0000000 -0.1000000 -0.0000000), wk = 0.0049505 k( 22) = ( 0.0000000 -0.0800000 0.0000000), wk = 0.0049505 k( 23) = ( 0.0000000 -0.0600000 0.0000000), wk = 0.0049505 k( 24) = ( 0.0000000 -0.0400000 0.0000000), wk = 0.0049505 k( 25) = ( 0.0000000 -0.0200000 0.0000000), wk = 0.0049505 k( 26) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 27) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 28) = ( 0.0185185 -0.0000000 0.0000000), wk = 0.0049505 k( 29) = ( 0.0370370 -0.0000000 0.0000000), wk = 0.0049505 k( 30) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0049505 k( 31) = ( 0.0740741 -0.0000000 0.0000000), wk = 0.0049505 k( 32) = ( 0.0925926 -0.0000000 0.0000000), wk = 0.0049505 k( 33) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0049505 k( 34) = ( 0.1296296 0.0000000 0.0000000), wk = 0.0049505 k( 35) = ( 0.1481482 0.0000000 0.0000000), wk = 0.0049505 k( 36) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0049505 k( 37) = ( 0.1851852 -0.0000000 0.0000000), wk = 0.0049505 k( 38) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0049505 k( 39) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0049505 k( 40) = ( 0.2407407 -0.0000000 0.0000000), wk = 0.0049505 k( 41) = ( 0.2592593 0.0000000 0.0000000), wk = 0.0049505 k( 42) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0049505 k( 43) = ( 0.2962963 0.0000000 0.0000000), wk = 0.0049505 k( 44) = ( 0.3148148 0.0000000 -0.0000000), wk = 0.0049505 k( 45) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0049505 k( 46) = ( 0.3518519 0.0000000 0.0000000), wk = 0.0049505 k( 47) = ( 0.3703704 0.0000000 0.0000000), wk = 0.0049505 k( 48) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0049505 k( 49) = ( 0.4074074 -0.0000000 0.0000000), wk = 0.0049505 k( 50) = ( 0.4259259 0.0000000 -0.0000000), wk = 0.0049505 k( 51) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0049505 k( 52) = ( 0.4629630 -0.0000000 0.0000000), wk = 0.0049505 k( 53) = ( 0.4814815 -0.0000000 0.0000000), wk = 0.0049505 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049505 k( 55) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0049505 k( 56) = ( 0.4814815 -0.4814815 0.0000000), wk = 0.0049505 k( 57) = ( 0.4629630 -0.4629630 0.0000000), wk = 0.0049505 k( 58) = ( 0.4444444 -0.4444444 0.0000000), wk = 0.0049505 k( 59) = ( 0.4259259 -0.4259259 -0.0000000), wk = 0.0049505 k( 60) = ( 0.4074074 -0.4074074 0.0000000), wk = 0.0049505 k( 61) = ( 0.3888889 -0.3888889 -0.0000000), wk = 0.0049505 k( 62) = ( 0.3703704 -0.3703704 -0.0000000), wk = 0.0049505 k( 63) = ( 0.3518519 -0.3518519 0.0000000), wk = 0.0049505 k( 64) = ( 0.3333333 -0.3333333 0.0000000), wk = 0.0049505 k( 65) = ( 0.3148148 -0.3148148 0.0000000), wk = 0.0049505 k( 66) = ( 0.2962963 -0.2962963 0.0000000), wk = 0.0049505 k( 67) = ( 0.2777778 -0.2777778 0.0000000), wk = 0.0049505 k( 68) = ( 0.2592593 -0.2592593 0.0000000), wk = 0.0049505 k( 69) = ( 0.2407407 -0.2407407 0.0000000), wk = 0.0049505 k( 70) = ( 0.2222222 -0.2222222 0.0000000), wk = 0.0049505 k( 71) = ( 0.2037037 -0.2037037 0.0000000), wk = 0.0049505 k( 72) = ( 0.1851852 -0.1851852 0.0000000), wk = 0.0049505 k( 73) = ( 0.1666667 -0.1666667 0.0000000), wk = 0.0049505 k( 74) = ( 0.1481482 -0.1481482 0.0000000), wk = 0.0049505 k( 75) = ( 0.1296296 -0.1296296 0.0000000), wk = 0.0049505 k( 76) = ( 0.1111111 -0.1111111 0.0000000), wk = 0.0049505 k( 77) = ( 0.0925926 -0.0925926 0.0000000), wk = 0.0049505 k( 78) = ( 0.0740741 -0.0740741 0.0000000), wk = 0.0049505 k( 79) = ( 0.0555556 -0.0555556 0.0000000), wk = 0.0049505 k( 80) = ( 0.0370370 -0.0370370 0.0000000), wk = 0.0049505 k( 81) = ( 0.0185185 -0.0185185 0.0000000), wk = 0.0049505 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 84) = ( -0.0192308 -0.0000000 0.0192308), wk = 0.0049505 k( 85) = ( -0.0384615 -0.0000000 0.0384615), wk = 0.0049505 k( 86) = ( -0.0576923 0.0000000 0.0576923), wk = 0.0049505 k( 87) = ( -0.0769231 -0.0000000 0.0769231), wk = 0.0049505 k( 88) = ( -0.0961538 0.0000000 0.0961538), wk = 0.0049505 k( 89) = ( -0.1153846 0.0000000 0.1153846), wk = 0.0049505 k( 90) = ( -0.1346154 -0.0000000 0.1346154), wk = 0.0049505 k( 91) = ( -0.1538461 -0.0000000 0.1538461), wk = 0.0049505 k( 92) = ( -0.1730769 0.0000000 0.1730769), wk = 0.0049505 k( 93) = ( -0.1923077 0.0000000 0.1923077), wk = 0.0049505 k( 94) = ( -0.2115385 0.0000000 0.2115385), wk = 0.0049505 k( 95) = ( -0.2307692 -0.0000000 0.2307692), wk = 0.0049505 k( 96) = ( -0.2500000 0.0000000 0.2500000), wk = 0.0049505 k( 97) = ( -0.2692308 0.0000000 0.2692308), wk = 0.0049505 k( 98) = ( -0.2884615 0.0000000 0.2884615), wk = 0.0049505 k( 99) = ( -0.3076923 0.0000000 0.3076923), wk = 0.0049505 k( 100) = ( -0.3269231 0.0000000 0.3269231), wk = 0.0049505 k( 101) = ( -0.3461538 -0.0000000 0.3461538), wk = 0.0049505 k( 102) = ( -0.3653846 0.0000000 0.3653846), wk = 0.0049505 k( 103) = ( -0.3846154 0.0000000 0.3846154), wk = 0.0049505 k( 104) = ( -0.4038462 0.0000000 0.4038462), wk = 0.0049505 k( 105) = ( -0.4230769 0.0000000 0.4230769), wk = 0.0049505 k( 106) = ( -0.4423077 -0.0000000 0.4423077), wk = 0.0049505 k( 107) = ( -0.4615385 -0.0000000 0.4615385), wk = 0.0049505 k( 108) = ( -0.4807692 -0.0000000 0.4807692), wk = 0.0049505 k( 109) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0049505 k( 110) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0049505 k( 111) = ( -0.4878049 -0.4878049 0.4878049), wk = 0.0049505 k( 112) = ( -0.4756098 -0.4756098 0.4756098), wk = 0.0049505 k( 113) = ( -0.4634146 -0.4634146 0.4634146), wk = 0.0049505 k( 114) = ( -0.4512195 -0.4512195 0.4512195), wk = 0.0049505 k( 115) = ( -0.4390244 -0.4390244 0.4390244), wk = 0.0049505 k( 116) = ( -0.4268293 -0.4268293 0.4268293), wk = 0.0049505 k( 117) = ( -0.4146341 -0.4146341 0.4146341), wk = 0.0049505 k( 118) = ( -0.4024390 -0.4024390 0.4024390), wk = 0.0049505 k( 119) = ( -0.3902439 -0.3902439 0.3902439), wk = 0.0049505 k( 120) = ( -0.3780488 -0.3780488 0.3780488), wk = 0.0049505 k( 121) = ( -0.3658537 -0.3658537 0.3658537), wk = 0.0049505 k( 122) = ( -0.3536585 -0.3536585 0.3536585), wk = 0.0049505 k( 123) = ( -0.3414634 -0.3414634 0.3414634), wk = 0.0049505 k( 124) = ( -0.3292683 -0.3292683 0.3292683), wk = 0.0049505 k( 125) = ( -0.3170732 -0.3170732 0.3170732), wk = 0.0049505 k( 126) = ( -0.3048781 -0.3048781 0.3048781), wk = 0.0049505 k( 127) = ( -0.2926829 -0.2926829 0.2926829), wk = 0.0049505 k( 128) = ( -0.2804878 -0.2804878 0.2804878), wk = 0.0049505 k( 129) = ( -0.2682927 -0.2682927 0.2682927), wk = 0.0049505 k( 130) = ( -0.2560976 -0.2560976 0.2560976), wk = 0.0049505 k( 131) = ( -0.2439024 -0.2439024 0.2439024), wk = 0.0049505 k( 132) = ( -0.2317073 -0.2317073 0.2317073), wk = 0.0049505 k( 133) = ( -0.2195122 -0.2195122 0.2195122), wk = 0.0049505 k( 134) = ( -0.2073171 -0.2073171 0.2073171), wk = 0.0049505 k( 135) = ( -0.1951219 -0.1951219 0.1951220), wk = 0.0049505 k( 136) = ( -0.1829268 -0.1829268 0.1829268), wk = 0.0049505 k( 137) = ( -0.1707317 -0.1707317 0.1707317), wk = 0.0049505 k( 138) = ( -0.1585366 -0.1585366 0.1585366), wk = 0.0049505 k( 139) = ( -0.1463415 -0.1463415 0.1463415), wk = 0.0049505 k( 140) = ( -0.1341463 -0.1341463 0.1341463), wk = 0.0049505 k( 141) = ( -0.1219512 -0.1219512 0.1219512), wk = 0.0049505 k( 142) = ( -0.1097561 -0.1097561 0.1097561), wk = 0.0049505 k( 143) = ( -0.0975610 -0.0975610 0.0975610), wk = 0.0049505 k( 144) = ( -0.0853658 -0.0853659 0.0853658), wk = 0.0049505 k( 145) = ( -0.0731707 -0.0731707 0.0731707), wk = 0.0049505 k( 146) = ( -0.0609756 -0.0609756 0.0609756), wk = 0.0049505 k( 147) = ( -0.0487805 -0.0487805 0.0487805), wk = 0.0049505 k( 148) = ( -0.0365854 -0.0365854 0.0365854), wk = 0.0049505 k( 149) = ( -0.0243902 -0.0243902 0.0243902), wk = 0.0049505 k( 150) = ( -0.0121951 -0.0121951 0.0121951), wk = 0.0049505 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 k( 153) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0049505 k( 154) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0049505 k( 155) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0049505 k( 156) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0049505 k( 157) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0049505 k( 158) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0049505 k( 159) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0049505 k( 160) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0049505 k( 161) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0049505 k( 162) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0049505 k( 163) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0049505 k( 164) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0049505 k( 165) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0049505 k( 166) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0049505 k( 167) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0049505 k( 168) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0049505 k( 169) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0049505 k( 170) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0049505 k( 171) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0049505 k( 172) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0049505 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0049505 k( 174) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0049505 k( 175) = ( 0.0000000 -0.4821429 0.4821429), wk = 0.0049505 k( 176) = ( 0.0000000 -0.4642857 0.4642857), wk = 0.0049505 k( 177) = ( 0.0000000 -0.4464286 0.4464286), wk = 0.0049505 k( 178) = ( 0.0000000 -0.4285714 0.4285714), wk = 0.0049505 k( 179) = ( 0.0000000 -0.4107143 0.4107143), wk = 0.0049505 k( 180) = ( 0.0000000 -0.3928571 0.3928571), wk = 0.0049505 k( 181) = ( 0.0000000 -0.3750000 0.3750000), wk = 0.0049505 k( 182) = ( 0.0000000 -0.3571429 0.3571429), wk = 0.0049505 k( 183) = ( 0.0000000 -0.3392857 0.3392857), wk = 0.0049505 k( 184) = ( 0.0000000 -0.3214286 0.3214286), wk = 0.0049505 k( 185) = ( 0.0000000 -0.3035714 0.3035714), wk = 0.0049505 k( 186) = ( 0.0000000 -0.2857143 0.2857143), wk = 0.0049505 k( 187) = ( 0.0000000 -0.2678571 0.2678571), wk = 0.0049505 k( 188) = ( 0.0000000 -0.2500000 0.2500000), wk = 0.0049505 k( 189) = ( 0.0000000 -0.2321429 0.2321429), wk = 0.0049505 k( 190) = ( 0.0000000 -0.2142857 0.2142857), wk = 0.0049505 k( 191) = ( 0.0000000 -0.1964286 0.1964286), wk = 0.0049505 k( 192) = ( 0.0000000 -0.1785714 0.1785714), wk = 0.0049505 k( 193) = ( 0.0000000 -0.1607143 0.1607143), wk = 0.0049505 k( 194) = ( 0.0000000 -0.1428571 0.1428571), wk = 0.0049505 k( 195) = ( 0.0000000 -0.1250000 0.1250000), wk = 0.0049505 k( 196) = ( 0.0000000 -0.1071429 0.1071429), wk = 0.0049505 k( 197) = ( 0.0000000 -0.0892857 0.0892857), wk = 0.0049505 k( 198) = ( 0.0000000 -0.0714286 0.0714286), wk = 0.0049505 k( 199) = ( 0.0000000 -0.0535714 0.0535714), wk = 0.0049505 k( 200) = ( 0.0000000 -0.0357143 0.0357143), wk = 0.0049505 k( 201) = ( 0.0000000 -0.0178571 0.0178571), wk = 0.0049505 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049505 Dense grid: 345179 G-vectors FFT dimensions: ( 90, 90, 108) Smooth grid: 101507 G-vectors FFT dimensions: ( 60, 60, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.53 Mb ( 352, 98) NL pseudopotentials 0.79 Mb ( 176, 296) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.04 Mb ( 4797) G-vector shells 0.04 Mb ( 4797) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.11 Mb ( 352, 392) Each subspace H/S matrix 0.06 Mb ( 65, 65) Each matrix 0.89 Mb ( 296, 2, 98) The potential is recalculated from file : ./HgH2C2I2N.save/charge-density.dat Starting wfc are 124 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.0 secs Computing kpt #: 2 total cpu time spent up to now is 8.1 secs Computing kpt #: 3 total cpu time spent up to now is 10.3 secs Computing kpt #: 4 total cpu time spent up to now is 13.0 secs Computing kpt #: 5 total cpu time spent up to now is 15.2 secs Computing kpt #: 6 total cpu time spent up to now is 17.4 secs Computing kpt #: 7 total cpu time spent up to now is 19.6 secs Computing kpt #: 8 total cpu time spent up to now is 21.9 secs Computing kpt #: 9 total cpu time spent up to now is 24.2 secs Computing kpt #: 10 total cpu time spent up to now is 26.5 secs Computing kpt #: 11 total cpu time spent up to now is 28.9 secs Computing kpt #: 12 total cpu time spent up to now is 31.4 secs Computing kpt #: 13 total cpu time spent up to now is 33.9 secs Computing kpt #: 14 total cpu time spent up to now is 36.5 secs Computing kpt #: 15 total cpu time spent up to now is 39.1 secs Computing kpt #: 16 total cpu time spent up to now is 41.7 secs Computing kpt #: 17 total cpu time spent up to now is 44.4 secs Computing kpt #: 18 total cpu time spent up to now is 47.0 secs Computing kpt #: 19 total cpu time spent up to now is 49.8 secs Computing kpt #: 20 total cpu time spent up to now is 52.5 secs Computing kpt #: 21 total cpu time spent up to now is 55.1 secs Computing kpt #: 22 total cpu time spent up to now is 57.8 secs Computing kpt #: 23 total cpu time spent up to now is 60.5 secs Computing kpt #: 24 total cpu time spent up to now is 63.2 secs Computing kpt #: 25 total cpu time spent up to now is 65.9 secs Computing kpt #: 26 total cpu time spent up to now is 68.5 secs Computing kpt #: 27 total cpu time spent up to now is 71.2 secs Computing kpt #: 28 total cpu time spent up to now is 73.9 secs Computing kpt #: 29 total cpu time spent up to now is 76.6 secs Computing kpt #: 30 total cpu time spent up to now is 79.2 secs Computing kpt #: 31 total cpu time spent up to now is 81.9 secs Computing kpt #: 32 total cpu time spent up to now is 84.6 secs Computing kpt #: 33 total cpu time spent up to now is 87.3 secs Computing kpt #: 34 total cpu time spent up to now is 90.0 secs Computing kpt #: 35 total cpu time spent up to now is 92.6 secs Computing kpt #: 36 total cpu time spent up to now is 95.3 secs Computing kpt #: 37 total cpu time spent up to now is 98.0 secs Computing kpt #: 38 total cpu time spent up to now is 100.7 secs Computing kpt #: 39 total cpu time spent up to now is 103.3 secs Computing kpt #: 40 total cpu time spent up to now is 106.0 secs Computing kpt #: 41 total cpu time spent up to now is 108.7 secs Computing kpt #: 42 total cpu time spent up to now is 111.3 secs Computing kpt #: 43 total cpu time spent up to now is 114.0 secs Computing kpt #: 44 total cpu time spent up to now is 116.7 secs Computing kpt #: 45 total cpu time spent up to now is 119.3 secs Computing kpt #: 46 total cpu time spent up to now is 122.0 secs Computing kpt #: 47 total cpu time spent up to now is 124.7 secs Computing kpt #: 48 total cpu time spent up to now is 127.4 secs Computing kpt #: 49 total cpu time spent up to now is 130.1 secs Computing kpt #: 50 total cpu time spent up to now is 132.8 secs Computing kpt #: 51 total cpu time spent up to now is 135.6 secs Computing kpt #: 52 total cpu time spent up to now is 138.4 secs Computing kpt #: 53 total cpu time spent up to now is 141.2 secs Computing kpt #: 54 total cpu time spent up to now is 144.0 secs Computing kpt #: 55 total cpu time spent up to now is 146.5 secs Computing kpt #: 56 total cpu time spent up to now is 149.0 secs Computing kpt #: 57 total cpu time spent up to now is 151.6 secs Computing kpt #: 58 total cpu time spent up to now is 154.1 secs Computing kpt #: 59 total cpu time spent up to now is 156.6 secs Computing kpt #: 60 total cpu time spent up to now is 159.2 secs Computing kpt #: 61 total cpu time spent up to now is 161.8 secs Computing kpt #: 62 total cpu time spent up to now is 164.3 secs Computing kpt #: 63 total cpu time spent up to now is 166.9 secs Computing kpt #: 64 total cpu time spent up to now is 169.5 secs Computing kpt #: 65 total cpu time spent up to now is 172.1 secs Computing kpt #: 66 total cpu time spent up to now is 174.8 secs Computing kpt #: 67 total cpu time spent up to now is 177.5 secs Computing kpt #: 68 total cpu time spent up to now is 180.1 secs Computing kpt #: 69 total cpu time spent up to now is 182.8 secs Computing kpt #: 70 total cpu time spent up to now is 185.5 secs Computing kpt #: 71 total cpu time spent up to now is 188.2 secs Computing kpt #: 72 total cpu time spent up to now is 190.9 secs Computing kpt #: 73 total cpu time spent up to now is 193.6 secs Computing kpt #: 74 total cpu time spent up to now is 196.4 secs Computing kpt #: 75 total cpu time spent up to now is 199.1 secs Computing kpt #: 76 total cpu time spent up to now is 201.8 secs Computing kpt #: 77 total cpu time spent up to now is 204.5 secs Computing kpt #: 78 total cpu time spent up to now is 207.2 secs Computing kpt #: 79 total cpu time spent up to now is 210.0 secs Computing kpt #: 80 total cpu time spent up to now is 212.6 secs Computing kpt #: 81 total cpu time spent up to now is 215.3 secs Computing kpt #: 82 total cpu time spent up to now is 218.0 secs Computing kpt #: 83 total cpu time spent up to now is 220.7 secs Computing kpt #: 84 total cpu time spent up to now is 223.4 secs Computing kpt #: 85 total cpu time spent up to now is 226.1 secs Computing kpt #: 86 total cpu time spent up to now is 228.7 secs Computing kpt #: 87 total cpu time spent up to now is 231.4 secs Computing kpt #: 88 total cpu time spent up to now is 234.2 secs Computing kpt #: 89 total cpu time spent up to now is 236.9 secs Computing kpt #: 90 total cpu time spent up to now is 239.7 secs Computing kpt #: 91 total cpu time spent up to now is 242.4 secs Computing kpt #: 92 total cpu time spent up to now is 245.1 secs Computing kpt #: 93 total cpu time spent up to now is 247.8 secs Computing kpt #: 94 total cpu time spent up to now is 250.5 secs Computing kpt #: 95 total cpu time spent up to now is 253.2 secs Computing kpt #: 96 total cpu time spent up to now is 255.8 secs Computing kpt #: 97 total cpu time spent up to now is 258.6 secs Computing kpt #: 98 total cpu time spent up to now is 261.3 secs Computing kpt #: 99 total cpu time spent up to now is 264.0 secs Computing kpt #: 100 total cpu time spent up to now is 266.8 secs Computing kpt #: 101 total cpu time spent up to now is 269.5 secs Computing kpt #: 102 total cpu time spent up to now is 272.3 secs Computing kpt #: 103 total cpu time spent up to now is 275.0 secs Computing kpt #: 104 total cpu time spent up to now is 277.8 secs Computing kpt #: 105 total cpu time spent up to now is 280.5 secs Computing kpt #: 106 total cpu time spent up to now is 283.1 secs Computing kpt #: 107 total cpu time spent up to now is 285.9 secs Computing kpt #: 108 total cpu time spent up to now is 288.7 secs Computing kpt #: 109 total cpu time spent up to now is 291.3 secs Computing kpt #: 110 total cpu time spent up to now is 293.6 secs Computing kpt #: 111 total cpu time spent up to now is 295.8 secs Computing kpt #: 112 total cpu time spent up to now is 298.1 secs Computing kpt #: 113 total cpu time spent up to now is 300.3 secs Computing kpt #: 114 total cpu time spent up to now is 302.6 secs Computing kpt #: 115 total cpu time spent up to now is 304.8 secs Computing kpt #: 116 total cpu time spent up to now is 307.1 secs Computing kpt #: 117 total cpu time spent up to now is 309.4 secs Computing kpt #: 118 total cpu time spent up to now is 311.8 secs Computing kpt #: 119 total cpu time spent up to now is 314.3 secs Computing kpt #: 120 total cpu time spent up to now is 316.5 secs Computing kpt #: 121 total cpu time spent up to now is 318.8 secs Computing kpt #: 122 total cpu time spent up to now is 321.1 secs Computing kpt #: 123 total cpu time spent up to now is 323.4 secs Computing kpt #: 124 total cpu time spent up to now is 325.7 secs Computing kpt #: 125 total cpu time spent up to now is 328.0 secs Computing kpt #: 126 total cpu time spent up to now is 330.6 secs Computing kpt #: 127 total cpu time spent up to now is 333.1 secs Computing kpt #: 128 total cpu time spent up to now is 335.7 secs Computing kpt #: 129 total cpu time spent up to now is 338.2 secs Computing kpt #: 130 total cpu time spent up to now is 340.8 secs Computing kpt #: 131 total cpu time spent up to now is 343.4 secs Computing kpt #: 132 total cpu time spent up to now is 346.0 secs Computing kpt #: 133 total cpu time spent up to now is 348.5 secs Computing kpt #: 134 total cpu time spent up to now is 351.1 secs Computing kpt #: 135 total cpu time spent up to now is 353.7 secs Computing kpt #: 136 total cpu time spent up to now is 356.3 secs Computing kpt #: 137 total cpu time spent up to now is 358.9 secs Computing kpt #: 138 total cpu time spent up to now is 361.5 secs Computing kpt #: 139 total cpu time spent up to now is 364.2 secs Computing kpt #: 140 total cpu time spent up to now is 366.8 secs Computing kpt #: 141 total cpu time spent up to now is 369.5 secs Computing kpt #: 142 total cpu time spent up to now is 372.2 secs Computing kpt #: 143 total cpu time spent up to now is 374.9 secs Computing kpt #: 144 total cpu time spent up to now is 377.6 secs Computing kpt #: 145 total cpu time spent up to now is 380.3 secs Computing kpt #: 146 total cpu time spent up to now is 383.0 secs Computing kpt #: 147 total cpu time spent up to now is 385.7 secs Computing kpt #: 148 total cpu time spent up to now is 388.4 secs Computing kpt #: 149 total cpu time spent up to now is 391.0 secs Computing kpt #: 150 total cpu time spent up to now is 393.8 secs Computing kpt #: 151 total cpu time spent up to now is 396.5 secs Computing kpt #: 152 total cpu time spent up to now is 399.2 secs Computing kpt #: 153 total cpu time spent up to now is 401.9 secs Computing kpt #: 154 total cpu time spent up to now is 404.6 secs Computing kpt #: 155 total cpu time spent up to now is 407.4 secs Computing kpt #: 156 total cpu time spent up to now is 410.1 secs Computing kpt #: 157 total cpu time spent up to now is 412.8 secs Computing kpt #: 158 total cpu time spent up to now is 415.5 secs Computing kpt #: 159 total cpu time spent up to now is 418.2 secs Computing kpt #: 160 total cpu time spent up to now is 420.9 secs Computing kpt #: 161 total cpu time spent up to now is 423.6 secs Computing kpt #: 162 total cpu time spent up to now is 426.3 secs Computing kpt #: 163 total cpu time spent up to now is 429.0 secs Computing kpt #: 164 total cpu time spent up to now is 431.7 secs Computing kpt #: 165 total cpu time spent up to now is 434.4 secs Computing kpt #: 166 total cpu time spent up to now is 437.0 secs Computing kpt #: 167 total cpu time spent up to now is 439.6 secs Computing kpt #: 168 total cpu time spent up to now is 442.3 secs Computing kpt #: 169 total cpu time spent up to now is 445.0 secs Computing kpt #: 170 total cpu time spent up to now is 447.6 secs Computing kpt #: 171 total cpu time spent up to now is 450.3 secs Computing kpt #: 172 total cpu time spent up to now is 452.9 secs Computing kpt #: 173 total cpu time spent up to now is 455.5 secs Computing kpt #: 174 total cpu time spent up to now is 457.7 secs Computing kpt #: 175 total cpu time spent up to now is 459.9 secs Computing kpt #: 176 total cpu time spent up to now is 462.1 secs Computing kpt #: 177 total cpu time spent up to now is 464.4 secs Computing kpt #: 178 total cpu time spent up to now is 466.6 secs Computing kpt #: 179 total cpu time spent up to now is 468.9 secs Computing kpt #: 180 total cpu time spent up to now is 471.2 secs Computing kpt #: 181 total cpu time spent up to now is 473.5 secs Computing kpt #: 182 total cpu time spent up to now is 475.8 secs Computing kpt #: 183 total cpu time spent up to now is 478.1 secs Computing kpt #: 184 total cpu time spent up to now is 480.6 secs Computing kpt #: 185 total cpu time spent up to now is 483.2 secs Computing kpt #: 186 total cpu time spent up to now is 485.7 secs Computing kpt #: 187 total cpu time spent up to now is 488.3 secs Computing kpt #: 188 total cpu time spent up to now is 490.9 secs Computing kpt #: 189 total cpu time spent up to now is 493.6 secs Computing kpt #: 190 total cpu time spent up to now is 496.2 secs Computing kpt #: 191 total cpu time spent up to now is 498.8 secs Computing kpt #: 192 total cpu time spent up to now is 501.4 secs Computing kpt #: 193 total cpu time spent up to now is 504.1 secs Computing kpt #: 194 total cpu time spent up to now is 506.8 secs Computing kpt #: 195 total cpu time spent up to now is 509.5 secs Computing kpt #: 196 total cpu time spent up to now is 512.2 secs Computing kpt #: 197 total cpu time spent up to now is 514.9 secs Computing kpt #: 198 total cpu time spent up to now is 517.7 secs Computing kpt #: 199 total cpu time spent up to now is 520.3 secs Computing kpt #: 200 total cpu time spent up to now is 523.1 secs Computing kpt #: 201 total cpu time spent up to now is 525.8 secs Computing kpt #: 202 total cpu time spent up to now is 528.6 secs ethr = 1.22E-08, avg # of iterations = 25.3 total cpu time spent up to now is 528.6 secs End of band structure calculation k = 0.0000-0.5432-0.1490 ( 12688 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5531 -12.5531 -9.7229 -9.7229 -9.6903 -9.6903 -9.4547 -9.4547 -9.3887 -9.3887 -8.9866 -8.9866 -8.9627 -8.9627 -6.6257 -6.6257 -5.8804 -5.8804 -5.6849 -5.6849 -4.7451 -4.7451 -4.7055 -4.7055 -4.4332 -4.4332 -4.3530 -4.3530 -3.8872 -3.8872 -3.6739 -3.6739 -3.2841 -3.2841 -3.2433 -3.2433 -2.9166 -2.9166 -2.8405 -2.8405 -2.7308 -2.7308 -2.6037 -2.6037 -2.5028 -2.5028 -2.0651 -2.0651 -1.5155 -1.5155 -1.3490 -1.3490 -0.1419 -0.1419 0.1697 0.1697 0.2543 0.2543 0.3690 0.3690 0.9233 0.9233 1.1213 1.1213 1.2211 1.2211 1.4216 1.4216 1.4287 1.4287 1.7628 1.7628 1.9396 1.9396 2.1095 2.1095 2.1435 2.1435 4.4604 4.4604 5.2709 5.2709 5.3769 5.3769 5.5986 5.5986 6.7070 6.7070 6.7211 6.7211 7.7754 7.7754 8.1312 8.1312 k = 0.0000-0.5215-0.1430 ( 12698 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5530 -12.5530 -9.7230 -9.7230 -9.6903 -9.6903 -9.4559 -9.4559 -9.3875 -9.3875 -8.9868 -8.9868 -8.9626 -8.9626 -6.6257 -6.6257 -5.8804 -5.8804 -5.6849 -5.6849 -4.7452 -4.7452 -4.7053 -4.7053 -4.4331 -4.4331 -4.3530 -4.3530 -3.8870 -3.8870 -3.6739 -3.6739 -3.2842 -3.2842 -3.2432 -3.2432 -2.9166 -2.9166 -2.8405 -2.8405 -2.7310 -2.7310 -2.6037 -2.6037 -2.5027 -2.5027 -2.0646 -2.0646 -1.5148 -1.5148 -1.3490 -1.3490 -0.1418 -0.1418 0.1659 0.1659 0.2573 0.2573 0.3690 0.3690 0.9223 0.9223 1.1163 1.1163 1.2251 1.2251 1.4118 1.4118 1.4372 1.4372 1.7628 1.7628 1.9386 1.9386 2.1075 2.1075 2.1454 2.1454 4.4614 4.4614 5.2679 5.2679 5.3761 5.3761 5.5982 5.5982 6.6914 6.6914 6.7466 6.7466 7.7781 7.7781 8.1318 8.1318 k = 0.0000-0.4998-0.1371 ( 12701 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5530 -12.5530 -9.7233 -9.7233 -9.6904 -9.6904 -9.4590 -9.4590 -9.3843 -9.3843 -8.9874 -8.9874 -8.9621 -8.9621 -6.6256 -6.6256 -5.8804 -5.8804 -5.6846 -5.6846 -4.7456 -4.7456 -4.7046 -4.7046 -4.4329 -4.4329 -4.3528 -4.3528 -3.8866 -3.8866 -3.6739 -3.6739 -3.2844 -3.2844 -3.2429 -3.2429 -2.9165 -2.9165 -2.8404 -2.8404 -2.7314 -2.7314 -2.6039 -2.6039 -2.5023 -2.5023 -2.0632 -2.0632 -1.5124 -1.5124 -1.3488 -1.3488 -0.1415 -0.1415 0.1560 0.1560 0.2648 0.2648 0.3691 0.3691 0.9193 0.9193 1.1034 1.1034 1.2351 1.2351 1.3982 1.3982 1.4472 1.4472 1.7629 1.7629 1.9356 1.9356 2.1026 2.1026 2.1501 2.1501 4.4643 4.4643 5.2591 5.2591 5.3733 5.3733 5.5971 5.5971 6.6809 6.6809 6.7865 6.7865 7.7864 7.7864 8.1335 8.1335 k = 0.0000-0.4780-0.1311 ( 12700 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5529 -12.5529 -9.7236 -9.7236 -9.6905 -9.6905 -9.4636 -9.4636 -9.3794 -9.3794 -8.9884 -8.9884 -8.9614 -8.9614 -6.6255 -6.6255 -5.8803 -5.8803 -5.6843 -5.6843 -4.7461 -4.7461 -4.7035 -4.7035 -4.4324 -4.4324 -4.3526 -4.3526 -3.8859 -3.8859 -3.6739 -3.6739 -3.2848 -3.2848 -3.2424 -3.2424 -2.9163 -2.9163 -2.8402 -2.8402 -2.7321 -2.7321 -2.6042 -2.6042 -2.5018 -2.5018 -2.0608 -2.0608 -1.5087 -1.5087 -1.3484 -1.3484 -0.1411 -0.1411 0.1423 0.1423 0.2746 0.2746 0.3693 0.3693 0.9142 0.9142 1.0859 1.0859 1.2471 1.2471 1.3841 1.3841 1.4561 1.4561 1.7627 1.7627 1.9309 1.9309 2.0970 2.0970 2.1557 2.1557 4.4691 4.4691 5.2458 5.2458 5.3679 5.3679 5.5953 5.5953 6.6813 6.6813 6.8344 6.8344 7.7999 7.7999 8.1366 8.1366 k = 0.0000-0.4563-0.1251 ( 12702 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5528 -12.5528 -9.7242 -9.7242 -9.6906 -9.6906 -9.4691 -9.4691 -9.3735 -9.3735 -8.9896 -8.9896 -8.9605 -8.9605 -6.6253 -6.6253 -5.8803 -5.8803 -5.6838 -5.6838 -4.7468 -4.7468 -4.7021 -4.7021 -4.4319 -4.4319 -4.3523 -4.3523 -3.8850 -3.8850 -3.6739 -3.6739 -3.2853 -3.2853 -3.2417 -3.2417 -2.9161 -2.9161 -2.8400 -2.8400 -2.7330 -2.7330 -2.6046 -2.6046 -2.5010 -2.5010 -2.0574 -2.0574 -1.5036 -1.5036 -1.3478 -1.3478 -0.1406 -0.1406 0.1266 0.1266 0.2846 0.2846 0.3699 0.3699 0.9066 0.9066 1.0660 1.0660 1.2579 1.2579 1.3713 1.3713 1.4640 1.4640 1.7620 1.7620 1.9247 1.9247 2.0916 2.0916 2.1611 2.1611 4.4755 4.4755 5.2292 5.2292 5.3592 5.3592 5.5929 5.5929 6.6931 6.6931 6.8889 6.8889 7.8182 7.8182 8.1412 8.1412 k = 0.0000-0.4346-0.1192 ( 12693 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5527 -12.5527 -9.7249 -9.7249 -9.6907 -9.6907 -9.4751 -9.4751 -9.3670 -9.3670 -8.9911 -8.9911 -8.9594 -8.9594 -6.6250 -6.6250 -5.8802 -5.8802 -5.6832 -5.6832 -4.7475 -4.7475 -4.7003 -4.7003 -4.4311 -4.4311 -4.3520 -4.3520 -3.8838 -3.8838 -3.6739 -3.6739 -3.2859 -3.2859 -3.2409 -3.2409 -2.9158 -2.9158 -2.8397 -2.8397 -2.7342 -2.7342 -2.6051 -2.6051 -2.5001 -2.5001 -2.0530 -2.0530 -1.4973 -1.4973 -1.3470 -1.3470 -0.1403 -0.1403 0.1101 0.1101 0.2937 0.2937 0.3711 0.3711 0.8963 0.8963 1.0449 1.0449 1.2641 1.2641 1.3623 1.3623 1.4711 1.4711 1.7604 1.7604 1.9176 1.9176 2.0871 2.0871 2.1658 2.1658 4.4831 4.4831 5.2103 5.2103 5.3469 5.3469 5.5902 5.5902 6.7159 6.7159 6.9490 6.9490 7.8409 7.8409 8.1475 8.1475 k = 0.0000-0.4128-0.1132 ( 12696 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5526 -12.5526 -9.7258 -9.7258 -9.6908 -9.6908 -9.4814 -9.4814 -9.3602 -9.3602 -8.9928 -8.9928 -8.9582 -8.9582 -6.6248 -6.6248 -5.8801 -5.8801 -5.6825 -5.6825 -4.7484 -4.7484 -4.6984 -4.6984 -4.4302 -4.4302 -4.3516 -4.3516 -3.8823 -3.8823 -3.6739 -3.6739 -3.2867 -3.2867 -3.2399 -3.2399 -2.9154 -2.9154 -2.8395 -2.8395 -2.7356 -2.7356 -2.6056 -2.6056 -2.4990 -2.4990 -2.0475 -2.0475 -1.4901 -1.4901 -1.3457 -1.3457 -0.1402 -0.1402 0.0935 0.0935 0.3009 0.3009 0.3732 0.3732 0.8829 0.8829 1.0233 1.0233 1.2626 1.2626 1.3600 1.3600 1.4776 1.4776 1.7576 1.7576 1.9100 1.9100 2.0836 2.0836 2.1698 2.1698 4.4915 4.4915 5.1903 5.1903 5.3309 5.3309 5.5873 5.5873 6.7491 6.7491 7.0137 7.0137 7.8670 7.8670 8.1561 8.1561 k = 0.0000-0.3911-0.1073 ( 12696 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5524 -12.5524 -9.7269 -9.7269 -9.6909 -9.6909 -9.4877 -9.4877 -9.3532 -9.3532 -8.9946 -8.9946 -8.9569 -8.9569 -6.6245 -6.6245 -5.8799 -5.8799 -5.6817 -5.6817 -4.7492 -4.7492 -4.6962 -4.6962 -4.4292 -4.4292 -4.3511 -4.3511 -3.8807 -3.8807 -3.6739 -3.6739 -3.2876 -3.2876 -3.2387 -3.2387 -2.9149 -2.9149 -2.8393 -2.8393 -2.7373 -2.7373 -2.6062 -2.6062 -2.4977 -2.4977 -2.0409 -2.0409 -1.4823 -1.4823 -1.3439 -1.3439 -0.1407 -0.1407 0.0775 0.0775 0.3056 0.3056 0.3766 0.3766 0.8662 0.8662 1.0019 1.0019 1.2533 1.2533 1.3647 1.3647 1.4838 1.4838 1.7535 1.7535 1.9023 1.9023 2.0811 2.0811 2.1731 2.1731 4.5005 4.5005 5.1698 5.1698 5.3116 5.3116 5.5846 5.5846 6.7917 6.7917 7.0822 7.0822 7.8955 7.8955 8.1674 8.1674 k = 0.0000-0.3694-0.1013 ( 12697 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5522 -12.5522 -9.7281 -9.7281 -9.6911 -9.6911 -9.4939 -9.4939 -9.3462 -9.3462 -8.9965 -8.9965 -8.9556 -8.9556 -6.6241 -6.6241 -5.8798 -5.8798 -5.6808 -5.6808 -4.7501 -4.7501 -4.6940 -4.6940 -4.4280 -4.4280 -4.3506 -4.3506 -3.8789 -3.8789 -3.6739 -3.6739 -3.2885 -3.2885 -3.2375 -3.2375 -2.9142 -2.9142 -2.8391 -2.8391 -2.7392 -2.7392 -2.6069 -2.6069 -2.4964 -2.4964 -2.0331 -2.0331 -1.4741 -1.4741 -1.3414 -1.3414 -0.1420 -0.1420 0.0626 0.0626 0.3073 0.3073 0.3816 0.3816 0.8460 0.8460 0.9810 0.9810 1.2389 1.2389 1.3738 1.3738 1.4899 1.4899 1.7482 1.7482 1.8948 1.8948 2.0797 2.0797 2.1758 2.1758 4.5096 4.5096 5.1494 5.1494 5.2894 5.2894 5.5822 5.5822 6.8423 6.8423 7.1540 7.1540 7.9252 7.9252 8.1823 8.1823 k = 0.0000-0.3477-0.0954 ( 12700 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5520 -12.5520 -9.7295 -9.7295 -9.6912 -9.6912 -9.4998 -9.4998 -9.3394 -9.3394 -8.9985 -8.9985 -8.9542 -8.9542 -6.6238 -6.6238 -5.8796 -5.8796 -5.6798 -5.6798 -4.7508 -4.7508 -4.6916 -4.6916 -4.4268 -4.4268 -4.3500 -4.3500 -3.8769 -3.8769 -3.6739 -3.6739 -3.2896 -3.2896 -3.2361 -3.2361 -2.9135 -2.9135 -2.8390 -2.8390 -2.7413 -2.7413 -2.6076 -2.6076 -2.4950 -2.4950 -2.0243 -2.0243 -1.4660 -1.4660 -1.3381 -1.3381 -0.1445 -0.1445 0.0495 0.0495 0.3061 0.3061 0.3878 0.3878 0.8227 0.8227 0.9605 0.9605 1.2221 1.2221 1.3847 1.3847 1.4959 1.4959 1.7417 1.7417 1.8876 1.8876 2.0791 2.0791 2.1782 2.1782 4.5184 4.5184 5.1294 5.1294 5.2652 5.2652 5.5802 5.5802 6.8998 6.8998 7.2282 7.2282 7.9545 7.9545 8.2012 8.2012 k = 0.0000-0.3259-0.0894 ( 12709 PWs) bands (ev): -17.7682 -17.7682 -15.9473 -15.9473 -12.5518 -12.5518 -9.7311 -9.7311 -9.6912 -9.6912 -9.5055 -9.5055 -9.3327 -9.3327 -9.0006 -9.0006 -8.9529 -8.9529 -6.6234 -6.6234 -5.8795 -5.8795 -5.6788 -5.6788 -4.7516 -4.7516 -4.6893 -4.6893 -4.4254 -4.4254 -4.3495 -4.3495 -3.8748 -3.8748 -3.6738 -3.6738 -3.2908 -3.2908 -3.2346 -3.2346 -2.9126 -2.9126 -2.8390 -2.8390 -2.7435 -2.7435 -2.6082 -2.6082 -2.4936 -2.4936 -2.0143 -2.0143 -1.4583 -1.4583 -1.3337 -1.3337 -0.1487 -0.1487 0.0387 0.0387 0.3021 0.3021 0.3949 0.3949 0.7967 0.7967 0.9405 0.9405 1.2045 1.2045 1.3958 1.3958 1.5020 1.5020 1.7345 1.7345 1.8808 1.8808 2.0792 2.0792 2.1804 2.1804 4.5267 4.5267 5.1101 5.1101 5.2397 5.2397 5.5787 5.5787 6.9626 6.9626 7.3046 7.3046 7.9821 7.9821 8.2246 8.2246 k = 0.0000-0.3042-0.0834 ( 12706 PWs) bands (ev): -17.7682 -17.7682 -15.9473 -15.9473 -12.5516 -12.5516 -9.7328 -9.7328 -9.6913 -9.6913 -9.5108 -9.5108 -9.3264 -9.3264 -9.0026 -9.0026 -8.9515 -8.9515 -6.6230 -6.6230 -5.8793 -5.8793 -5.6777 -5.6777 -4.7523 -4.7523 -4.6869 -4.6869 -4.4240 -4.4240 -4.3489 -4.3489 -3.8726 -3.8726 -3.6738 -3.6738 -3.2920 -3.2920 -3.2331 -3.2331 -2.9116 -2.9116 -2.8391 -2.8391 -2.7459 -2.7459 -2.6089 -2.6089 -2.4922 -2.4922 -2.0032 -2.0032 -1.4515 -1.4515 -1.3281 -1.3281 -0.1547 -0.1547 0.0306 0.0306 0.2958 0.2958 0.4023 0.4023 0.7687 0.7687 0.9210 0.9210 1.1868 1.1868 1.4065 1.4065 1.5082 1.5082 1.7270 1.7270 1.8744 1.8744 2.0799 2.0799 2.1827 2.1827 4.5341 4.5341 5.0917 5.0917 5.2138 5.2138 5.5778 5.5778 7.0295 7.0295 7.3824 7.3824 8.0069 8.0069 8.2523 8.2523 k = 0.0000-0.2825-0.0775 ( 12708 PWs) bands (ev): -17.7682 -17.7682 -15.9473 -15.9473 -12.5514 -12.5514 -9.7346 -9.7346 -9.6913 -9.6913 -9.5157 -9.5157 -9.3203 -9.3203 -9.0047 -9.0047 -8.9502 -8.9502 -6.6226 -6.6226 -5.8792 -5.8792 -5.6766 -5.6766 -4.7529 -4.7529 -4.6846 -4.6846 -4.4225 -4.4225 -4.3483 -4.3483 -3.8703 -3.8703 -3.6737 -3.6737 -3.2932 -3.2932 -3.2315 -3.2315 -2.9104 -2.9104 -2.8394 -2.8394 -2.7485 -2.7485 -2.6095 -2.6095 -2.4908 -2.4908 -1.9912 -1.9912 -1.4456 -1.4456 -1.3213 -1.3213 -0.1626 -0.1626 0.0254 0.0254 0.2874 0.2874 0.4097 0.4097 0.7397 0.7397 0.9019 0.9019 1.1694 1.1694 1.4163 1.4163 1.5144 1.5144 1.7195 1.7195 1.8684 1.8684 2.0810 2.0810 2.1850 2.1850 4.5405 4.5405 5.0739 5.0739 5.1883 5.1883 5.5772 5.5772 7.0992 7.0992 7.4613 7.4613 8.0287 8.0287 8.2831 8.2831 k = 0.0000-0.2607-0.0715 ( 12701 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5512 -12.5512 -9.7365 -9.7365 -9.6913 -9.6913 -9.5203 -9.5203 -9.3145 -9.3145 -9.0067 -9.0067 -8.9488 -8.9488 -6.6222 -6.6222 -5.8790 -5.8790 -5.6754 -5.6754 -4.7534 -4.7534 -4.6824 -4.6824 -4.4210 -4.4210 -4.3478 -4.3478 -3.8680 -3.8680 -3.6736 -3.6736 -3.2945 -3.2945 -3.2299 -3.2299 -2.9091 -2.9091 -2.8398 -2.8398 -2.7511 -2.7511 -2.6101 -2.6101 -2.4894 -2.4894 -1.9783 -1.9783 -1.4410 -1.4410 -1.3132 -1.3132 -0.1722 -0.1722 0.0230 0.0230 0.2771 0.2771 0.4169 0.4169 0.7105 0.7105 0.8833 0.8833 1.1525 1.1525 1.4251 1.4251 1.5205 1.5205 1.7126 1.7126 1.8628 1.8628 2.0823 2.0823 2.1875 2.1875 4.5459 4.5459 5.0565 5.0565 5.1641 5.1641 5.5771 5.5771 7.1705 7.1705 7.5405 7.5405 8.0475 8.0475 8.3151 8.3151 k = 0.0000-0.2390-0.0656 ( 12707 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5509 -12.5509 -9.7385 -9.7385 -9.6912 -9.6912 -9.5244 -9.5244 -9.3092 -9.3092 -9.0087 -9.0087 -8.9476 -8.9476 -6.6218 -6.6218 -5.8788 -5.8788 -5.6743 -5.6743 -4.7539 -4.7539 -4.6803 -4.6803 -4.4195 -4.4195 -4.3472 -4.3472 -3.8657 -3.8657 -3.6735 -3.6735 -3.2957 -3.2957 -3.2283 -3.2283 -2.9077 -2.9077 -2.8403 -2.8403 -2.7537 -2.7537 -2.6107 -2.6107 -2.4881 -2.4881 -1.9648 -1.9648 -1.4377 -1.4377 -1.3042 -1.3042 -0.1833 -0.1833 0.0231 0.0231 0.2652 0.2652 0.4236 0.4236 0.6818 0.6818 0.8651 0.8651 1.1359 1.1359 1.4330 1.4330 1.5261 1.5261 1.7066 1.7066 1.8575 1.8575 2.0840 2.0840 2.1902 2.1902 4.5501 4.5501 5.0393 5.0393 5.1419 5.1419 5.5773 5.5773 7.2423 7.2423 7.6193 7.6193 8.0640 8.0640 8.3461 8.3461 k = 0.0000-0.2173-0.0596 ( 12714 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5507 -12.5507 -9.7404 -9.7404 -9.6912 -9.6912 -9.5282 -9.5282 -9.3042 -9.3042 -9.0106 -9.0106 -8.9464 -8.9464 -6.6214 -6.6214 -5.8787 -5.8787 -5.6732 -5.6732 -4.7542 -4.7542 -4.6783 -4.6783 -4.4180 -4.4180 -4.3467 -4.3467 -3.8635 -3.8635 -3.6734 -3.6734 -3.2970 -3.2970 -3.2268 -3.2268 -2.9062 -2.9062 -2.8409 -2.8409 -2.7564 -2.7564 -2.6111 -2.6111 -2.4869 -2.4869 -1.9507 -1.9507 -1.4355 -1.4355 -1.2945 -1.2945 -0.1952 -0.1952 0.0253 0.0253 0.2519 0.2519 0.4296 0.4296 0.6546 0.6546 0.8477 0.8477 1.1198 1.1198 1.4403 1.4403 1.5309 1.5309 1.7017 1.7017 1.8526 1.8526 2.0857 2.0857 2.1930 2.1930 4.5533 4.5533 5.0218 5.0218 5.1225 5.1225 5.5777 5.5777 7.3137 7.3137 7.6968 7.6968 8.0786 8.0786 8.3735 8.3735 k = 0.0000-0.1956-0.0536 ( 12720 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5505 -12.5505 -9.7424 -9.7424 -9.6911 -9.6911 -9.5315 -9.5315 -9.2997 -9.2997 -9.0123 -9.0123 -8.9452 -8.9452 -6.6211 -6.6211 -5.8785 -5.8785 -5.6722 -5.6722 -4.7546 -4.7546 -4.6764 -4.6764 -4.4166 -4.4166 -4.3462 -4.3462 -3.8613 -3.8613 -3.6733 -3.6733 -3.2982 -3.2982 -3.2253 -3.2253 -2.9046 -2.9046 -2.8417 -2.8417 -2.7590 -2.7590 -2.6116 -2.6116 -2.4858 -2.4858 -1.9364 -1.9364 -1.4343 -1.4343 -1.2844 -1.2844 -0.2074 -0.2074 0.0292 0.0292 0.2373 0.2373 0.4351 0.4351 0.6292 0.6292 0.8312 0.8312 1.1043 1.1043 1.4471 1.4471 1.5344 1.5344 1.6982 1.6982 1.8481 1.8481 2.0875 2.0875 2.1959 2.1959 4.5556 4.5556 5.0042 5.0042 5.1062 5.1062 5.5783 5.5783 7.3837 7.3837 7.7716 7.7716 8.0921 8.0921 8.3959 8.3959 k = 0.0000-0.1738-0.0477 ( 12716 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5503 -12.5503 -9.7443 -9.7443 -9.6910 -9.6910 -9.5344 -9.5344 -9.2956 -9.2956 -9.0140 -9.0140 -8.9441 -8.9441 -6.6207 -6.6207 -5.8784 -5.8784 -5.6712 -5.6712 -4.7548 -4.7548 -4.6747 -4.6747 -4.4152 -4.4152 -4.3458 -4.3458 -3.8593 -3.8593 -3.6731 -3.6731 -3.2994 -3.2994 -3.2239 -3.2239 -2.9029 -2.9029 -2.8425 -2.8425 -2.7615 -2.7615 -2.6120 -2.6120 -2.4847 -2.4847 -1.9222 -1.9222 -1.4340 -1.4340 -1.2743 -1.2743 -0.2197 -0.2197 0.0344 0.0344 0.2220 0.2220 0.4398 0.4398 0.6063 0.6063 0.8158 0.8158 1.0894 1.0894 1.4536 1.4536 1.5366 1.5366 1.6960 1.6960 1.8441 1.8441 2.0894 2.0894 2.1986 2.1986 4.5571 4.5571 4.9864 4.9864 5.0930 5.0930 5.5790 5.5790 7.4516 7.4516 7.8419 7.8419 8.1054 8.1054 8.4123 8.4123 k = 0.0000-0.1521-0.0417 ( 12716 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5501 -12.5501 -9.7461 -9.7461 -9.6909 -9.6909 -9.5369 -9.5369 -9.2919 -9.2919 -9.0155 -9.0155 -8.9432 -8.9432 -6.6204 -6.6204 -5.8782 -5.8782 -5.6703 -5.6703 -4.7551 -4.7551 -4.6731 -4.6731 -4.4139 -4.4139 -4.3454 -4.3454 -3.8574 -3.8574 -3.6730 -3.6730 -3.3005 -3.3005 -3.2226 -3.2226 -2.9012 -2.9012 -2.8435 -2.8435 -2.7639 -2.7639 -2.6123 -2.6123 -2.4838 -2.4838 -1.9083 -1.9083 -1.4343 -1.4343 -1.2646 -1.2646 -0.2314 -0.2314 0.0405 0.0405 0.2063 0.2063 0.4439 0.4439 0.5858 0.5858 0.8016 0.8016 1.0753 1.0753 1.4600 1.4600 1.5372 1.5372 1.6951 1.6951 1.8405 1.8405 2.0913 2.0913 2.2013 2.2013 4.5581 4.5581 4.9690 4.9690 5.0826 5.0826 5.5798 5.5798 7.5166 7.5166 7.9049 7.9049 8.1201 8.1201 8.4230 8.4230 k = 0.0000-0.1304-0.0358 ( 12714 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5500 -12.5500 -9.7477 -9.7477 -9.6908 -9.6908 -9.5391 -9.5391 -9.2888 -9.2888 -9.0169 -9.0169 -8.9423 -8.9423 -6.6201 -6.6201 -5.8781 -5.8781 -5.6695 -5.6695 -4.7552 -4.7552 -4.6718 -4.6718 -4.4128 -4.4128 -4.3451 -4.3451 -3.8556 -3.8556 -3.6729 -3.6729 -3.3014 -3.3014 -3.2214 -3.2214 -2.8996 -2.8996 -2.8444 -2.8444 -2.7661 -2.7661 -2.6126 -2.6126 -2.4830 -2.4830 -1.8952 -1.8952 -1.4351 -1.4351 -1.2555 -1.2555 -0.2423 -0.2423 0.0471 0.0471 0.1907 0.1907 0.4475 0.4475 0.5681 0.5681 0.7888 0.7888 1.0624 1.0624 1.4664 1.4664 1.5362 1.5362 1.6953 1.6953 1.8375 1.8375 2.0931 2.0931 2.2037 2.2037 4.5586 4.5586 4.9526 4.9526 5.0746 5.0746 5.5806 5.5806 7.5780 7.5780 7.9568 7.9568 8.1389 8.1389 8.4284 8.4284 k = 0.0000-0.1086-0.0298 ( 12707 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5498 -12.5498 -9.7492 -9.7492 -9.6907 -9.6907 -9.5409 -9.5409 -9.2861 -9.2861 -9.0181 -9.0181 -8.9416 -8.9416 -6.6199 -6.6199 -5.8780 -5.8780 -5.6687 -5.6687 -4.7554 -4.7554 -4.6706 -4.6706 -4.4117 -4.4117 -4.3449 -4.3449 -3.8541 -3.8541 -3.6728 -3.6728 -3.3023 -3.3023 -3.2203 -3.2203 -2.8980 -2.8980 -2.8454 -2.8454 -2.7680 -2.7680 -2.6128 -2.6128 -2.4823 -2.4823 -1.8832 -1.8832 -1.4362 -1.4362 -1.2474 -1.2474 -0.2521 -0.2521 0.0540 0.0540 0.1757 0.1757 0.4505 0.4505 0.5530 0.5530 0.7777 0.7777 1.0508 1.0508 1.4730 1.4730 1.5338 1.5338 1.6962 1.6962 1.8349 1.8349 2.0948 2.0948 2.2058 2.2058 4.5589 4.5589 4.9377 4.9377 5.0685 5.0685 5.5814 5.5814 7.6348 7.6348 7.9932 7.9932 8.1649 8.1649 8.4291 8.4291 k = 0.0000-0.0869-0.0238 ( 12709 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5497 -12.5497 -9.7504 -9.7504 -9.6907 -9.6907 -9.5423 -9.5423 -9.2839 -9.2839 -9.0191 -9.0191 -8.9409 -8.9409 -6.6197 -6.6197 -5.8779 -5.8779 -5.6681 -5.6681 -4.7555 -4.7555 -4.6697 -4.6697 -4.4109 -4.4109 -4.3446 -4.3446 -3.8528 -3.8528 -3.6727 -3.6727 -3.3031 -3.3031 -3.2195 -3.2195 -2.8966 -2.8966 -2.8463 -2.8463 -2.7697 -2.7697 -2.6129 -2.6129 -2.4817 -2.4817 -1.8726 -1.8726 -1.4374 -1.4374 -1.2405 -1.2405 -0.2605 -0.2605 0.0609 0.0609 0.1617 0.1617 0.4532 0.4532 0.5405 0.5405 0.7684 0.7684 1.0409 1.0409 1.4796 1.4796 1.5302 1.5302 1.6975 1.6975 1.8329 1.8329 2.0963 2.0963 2.2076 2.2076 4.5590 4.5590 4.9249 4.9249 5.0639 5.0639 5.5821 5.5821 7.6861 7.6861 8.0132 8.0132 8.1980 8.1980 8.4256 8.4256 k = 0.0000-0.0652-0.0179 ( 12709 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5496 -12.5496 -9.7514 -9.7514 -9.6906 -9.6906 -9.5434 -9.5434 -9.2821 -9.2821 -9.0198 -9.0198 -8.9404 -8.9404 -6.6195 -6.6195 -5.8779 -5.8779 -5.6677 -5.6677 -4.7555 -4.7555 -4.6689 -4.6689 -4.4102 -4.4102 -4.3445 -4.3445 -3.8518 -3.8518 -3.6726 -3.6726 -3.3037 -3.3037 -3.2188 -3.2188 -2.8953 -2.8953 -2.8471 -2.8471 -2.7710 -2.7710 -2.6131 -2.6131 -2.4813 -2.4813 -1.8640 -1.8640 -1.4385 -1.4385 -1.2349 -1.2349 -0.2673 -0.2673 0.0674 0.0674 0.1494 0.1494 0.4555 0.4555 0.5305 0.5305 0.7610 0.7610 1.0329 1.0329 1.4863 1.4863 1.5256 1.5256 1.6990 1.6990 1.8313 1.8313 2.0976 2.0976 2.2089 2.2089 4.5590 4.5590 4.9144 4.9144 5.0607 5.0607 5.5826 5.5826 7.7303 7.7303 8.0205 8.0205 8.2341 8.2341 8.4187 8.4187 k = 0.0000-0.0435-0.0119 ( 12713 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7521 -9.7521 -9.6905 -9.6905 -9.5442 -9.5442 -9.2809 -9.2809 -9.0204 -9.0204 -8.9401 -8.9401 -6.6194 -6.6194 -5.8778 -5.8778 -5.6673 -5.6673 -4.7556 -4.7556 -4.6684 -4.6684 -4.4097 -4.4097 -4.3443 -4.3443 -3.8511 -3.8511 -3.6725 -3.6725 -3.3041 -3.3041 -3.2183 -3.2183 -2.8944 -2.8944 -2.8477 -2.8477 -2.7720 -2.7720 -2.6132 -2.6132 -2.4809 -2.4809 -1.8575 -1.8575 -1.4395 -1.4395 -1.2309 -1.2309 -0.2722 -0.2722 0.0733 0.0733 0.1394 0.1394 0.4574 0.4574 0.5232 0.5232 0.7556 0.7556 1.0271 1.0271 1.4930 1.4930 1.5203 1.5203 1.7002 1.7002 1.8301 1.8301 2.0985 2.0985 2.2099 2.2099 4.5590 4.5590 4.9067 4.9067 5.0585 5.0585 5.5830 5.5830 7.7655 7.7655 8.0204 8.0204 8.2674 8.2674 8.4091 8.4091 k = 0.0000-0.0217-0.0060 ( 12710 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7526 -9.7526 -9.6905 -9.6905 -9.5447 -9.5447 -9.2802 -9.2802 -9.0207 -9.0207 -8.9399 -8.9399 -6.6193 -6.6193 -5.8778 -5.8778 -5.6671 -5.6671 -4.7556 -4.7556 -4.6681 -4.6681 -4.4094 -4.4094 -4.3443 -4.3443 -3.8506 -3.8506 -3.6725 -3.6725 -3.3043 -3.3043 -3.2179 -3.2179 -2.8938 -2.8938 -2.8481 -2.8481 -2.7726 -2.7726 -2.6132 -2.6132 -2.4807 -2.4807 -1.8535 -1.8535 -1.4401 -1.4401 -1.2284 -1.2284 -0.2753 -0.2753 0.0777 0.0777 0.1324 0.1324 0.4587 0.4587 0.5186 0.5186 0.7524 0.7524 1.0235 1.0235 1.4993 1.4993 1.5148 1.5148 1.7010 1.7010 1.8295 1.8295 2.0991 2.0991 2.2105 2.2105 4.5590 4.5590 4.9020 4.9020 5.0572 5.0572 5.5833 5.5833 7.7888 7.7888 8.0177 8.0177 8.2925 8.2925 8.3993 8.3993 k = 0.0000 0.0000 0.0000 ( 12711 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7527 -9.7527 -9.6905 -9.6905 -9.5449 -9.5449 -9.2799 -9.2799 -9.0209 -9.0209 -8.9398 -8.9398 -6.6193 -6.6193 -5.8778 -5.8778 -5.6670 -5.6670 -4.7556 -4.7556 -4.6680 -4.6680 -4.4093 -4.4093 -4.3442 -4.3442 -3.8505 -3.8505 -3.6724 -3.6724 -3.3044 -3.3044 -3.2178 -3.2178 -2.8936 -2.8936 -2.8483 -2.8483 -2.7728 -2.7728 -2.6132 -2.6132 -2.4807 -2.4807 -1.8522 -1.8522 -1.4403 -1.4403 -1.2275 -1.2275 -0.2763 -0.2763 0.0793 0.0793 0.1299 0.1299 0.4592 0.4592 0.5170 0.5170 0.7513 0.7513 1.0223 1.0223 1.5031 1.5031 1.5113 1.5113 1.7013 1.7013 1.8292 1.8292 2.0993 2.0993 2.2107 2.2107 4.5590 4.5590 4.9004 4.9004 5.0568 5.0568 5.5834 5.5834 7.7970 7.7970 8.0163 8.0163 8.3025 8.3025 8.3947 8.3947 k = 0.0000 0.0000 0.0000 ( 12711 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7527 -9.7527 -9.6905 -9.6905 -9.5449 -9.5449 -9.2799 -9.2799 -9.0209 -9.0209 -8.9398 -8.9398 -6.6193 -6.6193 -5.8778 -5.8778 -5.6670 -5.6670 -4.7556 -4.7556 -4.6680 -4.6680 -4.4093 -4.4093 -4.3442 -4.3442 -3.8505 -3.8505 -3.6724 -3.6724 -3.3044 -3.3044 -3.2178 -3.2178 -2.8936 -2.8936 -2.8483 -2.8483 -2.7728 -2.7728 -2.6132 -2.6132 -2.4807 -2.4807 -1.8522 -1.8522 -1.4403 -1.4403 -1.2275 -1.2275 -0.2763 -0.2763 0.0793 0.0793 0.1299 0.1299 0.4592 0.4592 0.5170 0.5170 0.7513 0.7513 1.0223 1.0223 1.5031 1.5031 1.5113 1.5113 1.7013 1.7013 1.8292 1.8292 2.0993 2.0993 2.2107 2.2107 4.5590 4.5590 4.9004 4.9004 5.0568 5.0568 5.5834 5.5834 7.7970 7.7970 8.0163 8.0163 8.3025 8.3025 8.3947 8.3947 k = 0.0185 0.0079 0.0089 ( 12709 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7526 -9.7526 -9.6905 -9.6905 -9.5447 -9.5447 -9.2801 -9.2801 -9.0208 -9.0208 -8.9399 -8.9399 -6.6193 -6.6193 -5.8778 -5.8778 -5.6671 -5.6671 -4.7557 -4.7557 -4.6680 -4.6680 -4.4093 -4.4093 -4.3441 -4.3441 -3.8506 -3.8506 -3.6725 -3.6725 -3.3042 -3.3042 -3.2180 -3.2180 -2.8941 -2.8941 -2.8477 -2.8477 -2.7726 -2.7726 -2.6131 -2.6131 -2.4806 -2.4806 -1.8519 -1.8519 -1.4401 -1.4401 -1.2277 -1.2277 -0.2760 -0.2760 0.0755 0.0755 0.1309 0.1309 0.4581 0.4581 0.5168 0.5168 0.7556 0.7556 1.0234 1.0234 1.4966 1.4966 1.5169 1.5169 1.7006 1.7006 1.8297 1.8297 2.0988 2.0988 2.2101 2.2101 4.5589 4.5589 4.9019 4.9019 5.0571 5.0571 5.5832 5.5832 7.7946 7.7946 8.0162 8.0162 8.2992 8.2992 8.3964 8.3964 k = 0.0370 0.0158 0.0178 ( 12706 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7524 -9.7524 -9.6904 -9.6904 -9.5444 -9.5444 -9.2806 -9.2806 -9.0206 -9.0206 -8.9402 -8.9402 -6.6194 -6.6194 -5.8778 -5.8778 -5.6673 -5.6673 -4.7559 -4.7559 -4.6681 -4.6681 -4.4096 -4.4096 -4.3437 -4.3437 -3.8511 -3.8511 -3.6727 -3.6727 -3.3036 -3.3036 -3.2184 -3.2184 -2.8954 -2.8954 -2.8461 -2.8461 -2.7718 -2.7718 -2.6129 -2.6129 -2.4804 -2.4804 -1.8512 -1.8512 -1.4396 -1.4396 -1.2283 -1.2283 -0.2753 -0.2753 0.0652 0.0652 0.1330 0.1330 0.4552 0.4552 0.5160 0.5160 0.7679 0.7679 1.0271 1.0271 1.4867 1.4867 1.5242 1.5242 1.6988 1.6988 1.8310 1.8310 2.0973 2.0973 2.2082 2.2082 4.5587 4.5587 4.9064 4.9064 5.0579 5.0579 5.5828 5.5828 7.7877 7.7877 8.0158 8.0158 8.2903 8.2903 8.4009 8.4009 k = 0.0556 0.0237 0.0267 ( 12701 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5496 -12.5496 -9.7519 -9.7519 -9.6904 -9.6904 -9.5438 -9.5438 -9.2815 -9.2815 -9.0203 -9.0203 -8.9406 -8.9406 -6.6196 -6.6196 -5.8778 -5.8778 -5.6675 -5.6675 -4.7563 -4.7563 -4.6682 -4.6682 -4.4100 -4.4100 -4.3431 -4.3431 -3.8518 -3.8518 -3.6730 -3.6730 -3.3027 -3.3027 -3.2192 -3.2192 -2.8972 -2.8972 -2.8438 -2.8438 -2.7706 -2.7706 -2.6125 -2.6125 -2.4801 -2.4801 -1.8500 -1.8500 -1.4386 -1.4386 -1.2294 -1.2294 -0.2741 -0.2741 0.0504 0.0504 0.1351 0.1351 0.4510 0.4510 0.5145 0.5145 0.7866 0.7866 1.0333 1.0333 1.4761 1.4761 1.5303 1.5303 1.6961 1.6961 1.8331 1.8331 2.0949 2.0949 2.2051 2.2051 4.5584 4.5584 4.9134 4.9134 5.0594 5.0594 5.5820 5.5820 7.7768 7.7768 8.0149 8.0149 8.2780 8.2780 8.4065 8.4065 k = 0.0741 0.0317 0.0356 ( 12707 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5497 -12.5497 -9.7514 -9.7514 -9.6903 -9.6903 -9.5429 -9.5429 -9.2827 -9.2827 -9.0198 -9.0198 -8.9413 -8.9413 -6.6198 -6.6198 -5.8778 -5.8778 -5.6679 -5.6679 -4.7568 -4.7568 -4.6684 -4.6684 -4.4105 -4.4105 -4.3423 -4.3423 -3.8529 -3.8529 -3.6733 -3.6733 -3.3013 -3.3013 -3.2202 -3.2202 -2.8994 -2.8994 -2.8409 -2.8409 -2.7690 -2.7690 -2.6120 -2.6120 -2.4797 -2.4797 -1.8484 -1.8484 -1.4374 -1.4374 -1.2308 -1.2308 -0.2726 -0.2726 0.0332 0.0332 0.1366 0.1366 0.4463 0.4463 0.5122 0.5122 0.8092 0.8092 1.0427 1.0427 1.4653 1.4653 1.5346 1.5346 1.6930 1.6930 1.8359 1.8359 2.0917 2.0917 2.2010 2.2010 4.5581 4.5581 4.9225 4.9225 5.0618 5.0618 5.5811 5.5811 7.7625 7.7625 8.0132 8.0132 8.2643 8.2643 8.4123 8.4123 k = 0.0926 0.0396 0.0445 ( 12710 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5498 -12.5498 -9.7506 -9.7506 -9.6901 -9.6901 -9.5418 -9.5418 -9.2842 -9.2842 -9.0193 -9.0193 -8.9421 -8.9421 -6.6201 -6.6201 -5.8778 -5.8778 -5.6684 -5.6684 -4.7574 -4.7574 -4.6686 -4.6686 -4.4111 -4.4111 -4.3413 -4.3413 -3.8542 -3.8542 -3.6738 -3.6738 -3.2997 -3.2997 -3.2215 -3.2215 -2.9017 -2.9017 -2.8377 -2.8377 -2.7670 -2.7670 -2.6113 -2.6113 -2.4793 -2.4793 -1.8463 -1.8463 -1.4358 -1.4358 -1.2326 -1.2326 -0.2709 -0.2709 0.0151 0.0151 0.1375 0.1375 0.4413 0.4413 0.5091 0.5091 0.8333 0.8333 1.0555 1.0555 1.4543 1.4543 1.5367 1.5367 1.6899 1.6899 1.8392 1.8392 2.0876 2.0876 2.1960 2.1960 4.5580 4.5580 4.9330 4.9330 5.0653 5.0653 5.5800 5.5800 7.7459 7.7459 8.0103 8.0103 8.2504 8.2504 8.4178 8.4178 k = 0.1111 0.0475 0.0534 ( 12710 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5499 -12.5499 -9.7497 -9.7497 -9.6900 -9.6900 -9.5405 -9.5405 -9.2861 -9.2861 -9.0186 -9.0186 -8.9430 -8.9430 -6.6205 -6.6205 -5.8778 -5.8778 -5.6690 -5.6690 -4.7580 -4.7580 -4.6690 -4.6690 -4.4118 -4.4118 -4.3402 -4.3402 -3.8557 -3.8557 -3.6744 -3.6744 -3.2977 -3.2977 -3.2230 -3.2230 -2.9040 -2.9040 -2.8344 -2.8344 -2.7647 -2.7647 -2.6105 -2.6105 -2.4787 -2.4787 -1.8438 -1.8438 -1.4340 -1.4340 -1.2349 -1.2349 -0.2689 -0.2689 -0.0026 -0.0026 0.1379 0.1379 0.4364 0.4364 0.5051 0.5051 0.8564 0.8564 1.0720 1.0720 1.4434 1.4434 1.5365 1.5365 1.6874 1.6874 1.8429 1.8429 2.0830 2.0830 2.1902 2.1902 4.5579 4.5579 4.9440 4.9440 5.0702 5.0702 5.5787 5.5787 7.7277 7.7277 8.0063 8.0063 8.2374 8.2374 8.4227 8.4227 k = 0.1296 0.0554 0.0623 ( 12712 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5501 -12.5501 -9.7487 -9.7487 -9.6898 -9.6898 -9.5390 -9.5390 -9.2882 -9.2882 -9.0178 -9.0178 -8.9441 -8.9441 -6.6209 -6.6209 -5.8778 -5.8778 -5.6697 -5.6697 -4.7587 -4.7587 -4.6694 -4.6694 -4.4126 -4.4126 -4.3391 -4.3391 -3.8575 -3.8575 -3.6750 -3.6750 -3.2954 -3.2954 -3.2248 -3.2248 -2.9060 -2.9060 -2.8311 -2.8311 -2.7623 -2.7623 -2.6096 -2.6096 -2.4782 -2.4782 -1.8410 -1.8410 -1.4320 -1.4320 -1.2376 -1.2376 -0.2669 -0.2669 -0.0186 -0.0186 0.1379 0.1379 0.4316 0.4316 0.5004 0.5004 0.8770 0.8770 1.0922 1.0922 1.4328 1.4328 1.5340 1.5340 1.6857 1.6857 1.8469 1.8469 2.0779 2.0779 2.1840 2.1840 4.5582 4.5582 4.9545 4.9545 5.0771 5.0771 5.5775 5.5775 7.7091 7.7091 8.0011 8.0011 8.2258 8.2258 8.4273 8.4273 k = 0.1481 0.0633 0.0712 ( 12708 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5503 -12.5503 -9.7476 -9.7476 -9.6896 -9.6896 -9.5372 -9.5372 -9.2907 -9.2907 -9.0169 -9.0169 -8.9454 -8.9454 -6.6213 -6.6213 -5.8778 -5.8778 -5.6704 -5.6704 -4.7593 -4.7593 -4.6698 -4.6698 -4.4134 -4.4134 -4.3380 -4.3380 -3.8594 -3.8594 -3.6757 -3.6757 -3.2929 -3.2929 -3.2267 -3.2267 -2.9078 -2.9078 -2.8279 -2.8279 -2.7598 -2.7598 -2.6086 -2.6086 -2.4777 -2.4777 -1.8379 -1.8379 -1.4299 -1.4299 -1.2408 -1.2408 -0.2647 -0.2647 -0.0319 -0.0319 0.1375 0.1375 0.4267 0.4267 0.4951 0.4951 0.8941 0.8941 1.1150 1.1150 1.4225 1.4225 1.5298 1.5298 1.6849 1.6849 1.8510 1.8510 2.0725 2.0725 2.1775 2.1775 4.5587 4.5587 4.9635 4.9635 5.0864 5.0864 5.5763 5.5763 7.6909 7.6909 7.9948 7.9948 8.2158 8.2158 8.4314 8.4314 k = 0.1667 0.0712 0.0801 ( 12704 PWs) bands (ev): -17.7683 -17.7683 -15.9474 -15.9474 -12.5504 -12.5504 -9.7464 -9.7464 -9.6894 -9.6894 -9.5352 -9.5352 -9.2934 -9.2934 -9.0159 -9.0159 -8.9467 -8.9467 -6.6217 -6.6217 -5.8778 -5.8778 -5.6712 -5.6712 -4.7599 -4.7599 -4.6704 -4.6704 -4.4142 -4.4142 -4.3369 -4.3369 -3.8615 -3.8615 -3.6764 -3.6764 -3.2902 -3.2902 -3.2288 -3.2288 -2.9093 -2.9093 -2.8248 -2.8248 -2.7573 -2.7573 -2.6075 -2.6075 -2.4772 -2.4772 -1.8346 -1.8346 -1.4276 -1.4276 -1.2443 -1.2443 -0.2622 -0.2622 -0.0421 -0.0421 0.1370 0.1370 0.4218 0.4218 0.4893 0.4893 0.9075 0.9075 1.1384 1.1384 1.4128 1.4128 1.5246 1.5246 1.6851 1.6851 1.8551 1.8551 2.0672 2.0672 2.1708 2.1708 4.5596 4.5596 4.9704 4.9704 5.0982 5.0982 5.5753 5.5753 7.6739 7.6739 7.9878 7.9878 8.2078 8.2078 8.4350 8.4350 k = 0.1852 0.0791 0.0890 ( 12705 PWs) bands (ev): -17.7683 -17.7683 -15.9474 -15.9474 -12.5506 -12.5506 -9.7451 -9.7451 -9.6892 -9.6892 -9.5330 -9.5330 -9.2964 -9.2964 -9.0148 -9.0148 -8.9482 -8.9482 -6.6222 -6.6222 -5.8778 -5.8778 -5.6721 -5.6721 -4.7603 -4.7603 -4.6711 -4.6711 -4.4151 -4.4151 -4.3360 -4.3360 -3.8638 -3.8638 -3.6771 -3.6771 -3.2874 -3.2874 -3.2309 -3.2309 -2.9106 -2.9106 -2.8218 -2.8218 -2.7549 -2.7549 -2.6065 -2.6065 -2.4769 -2.4769 -1.8311 -1.8311 -1.4253 -1.4253 -1.2483 -1.2483 -0.2592 -0.2592 -0.0487 -0.0487 0.1365 0.1365 0.4168 0.4168 0.4831 0.4831 0.9175 0.9175 1.1600 1.1600 1.4042 1.4042 1.5198 1.5198 1.6860 1.6860 1.8591 1.8591 2.0622 2.0622 2.1641 2.1641 4.5608 4.5608 4.9748 4.9748 5.1124 5.1124 5.5745 5.5745 7.6589 7.6589 7.9802 7.9802 8.2019 8.2019 8.4383 8.4383 k = 0.2037 0.0871 0.0978 ( 12714 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5508 -12.5508 -9.7437 -9.7437 -9.6890 -9.6890 -9.5306 -9.5306 -9.2996 -9.2996 -9.0137 -9.0137 -8.9498 -8.9498 -6.6226 -6.6226 -5.8778 -5.8778 -5.6730 -5.6730 -4.7606 -4.7606 -4.6718 -4.6718 -4.4159 -4.4159 -4.3351 -4.3351 -3.8661 -3.8661 -3.6778 -3.6778 -3.2845 -3.2845 -3.2331 -3.2331 -2.9115 -2.9115 -2.8190 -2.8190 -2.7526 -2.7526 -2.6055 -2.6055 -2.4766 -2.4766 -1.8275 -1.8275 -1.4231 -1.4231 -1.2525 -1.2525 -0.2553 -0.2553 -0.0518 -0.0518 0.1360 0.1360 0.4114 0.4114 0.4765 0.4765 0.9246 0.9246 1.1769 1.1769 1.3970 1.3970 1.5168 1.5168 1.6874 1.6874 1.8630 1.8630 2.0578 2.0578 2.1576 2.1576 4.5624 4.5624 4.9768 4.9768 5.1283 5.1283 5.5739 5.5739 7.6465 7.6465 7.9725 7.9725 8.1981 8.1981 8.4411 8.4411 k = 0.2222 0.0950 0.1067 ( 12713 PWs) bands (ev): -17.7682 -17.7682 -15.9475 -15.9475 -12.5511 -12.5511 -9.7424 -9.7424 -9.6887 -9.6887 -9.5281 -9.5281 -9.3031 -9.3031 -9.0124 -9.0124 -8.9514 -8.9514 -6.6231 -6.6231 -5.8778 -5.8778 -5.6739 -5.6739 -4.7608 -4.7608 -4.6726 -4.6726 -4.4168 -4.4168 -4.3344 -4.3344 -3.8685 -3.8685 -3.6785 -3.6785 -3.2816 -3.2816 -3.2353 -3.2353 -2.9121 -2.9121 -2.8164 -2.8164 -2.7504 -2.7504 -2.6046 -2.6046 -2.4765 -2.4765 -1.8239 -1.8239 -1.4209 -1.4209 -1.2570 -1.2570 -0.2499 -0.2499 -0.0515 -0.0515 0.1356 0.1356 0.4057 0.4057 0.4698 0.4698 0.9291 0.9291 1.1868 1.1868 1.3912 1.3912 1.5171 1.5171 1.6893 1.6893 1.8665 1.8665 2.0542 2.0542 2.1514 2.1514 4.5642 4.5642 4.9768 4.9768 5.1454 5.1454 5.5736 5.5736 7.6371 7.6371 7.9648 7.9648 8.1965 8.1965 8.4436 8.4436 k = 0.2407 0.1029 0.1156 ( 12707 PWs) bands (ev): -17.7682 -17.7682 -15.9475 -15.9475 -12.5513 -12.5513 -9.7409 -9.7409 -9.6885 -9.6885 -9.5254 -9.5254 -9.3066 -9.3066 -9.0111 -9.0111 -8.9531 -8.9531 -6.6235 -6.6235 -5.8778 -5.8778 -5.6748 -5.6748 -4.7608 -4.7608 -4.6735 -4.6735 -4.4176 -4.4176 -4.3339 -4.3339 -3.8709 -3.8709 -3.6791 -3.6791 -3.2787 -3.2787 -3.2374 -3.2374 -2.9125 -2.9125 -2.8140 -2.8140 -2.7484 -2.7484 -2.6038 -2.6038 -2.4766 -2.4766 -1.8204 -1.8204 -1.4188 -1.4188 -1.2616 -1.2616 -0.2428 -0.2428 -0.0483 -0.0483 0.1356 0.1356 0.3995 0.3995 0.4630 0.4630 0.9312 0.9312 1.1888 1.1888 1.3861 1.3861 1.5218 1.5218 1.6918 1.6918 1.8697 1.8697 2.0517 2.0517 2.1456 2.1456 4.5663 4.5663 4.9750 4.9750 5.1629 5.1629 5.5737 5.5737 7.6309 7.6309 7.9575 7.9575 8.1973 8.1973 8.4457 8.4457 k = 0.2593 0.1108 0.1245 ( 12708 PWs) bands (ev): -17.7682 -17.7682 -15.9475 -15.9475 -12.5515 -12.5515 -9.7395 -9.7395 -9.6882 -9.6882 -9.5226 -9.5226 -9.3103 -9.3103 -9.0098 -9.0098 -8.9549 -8.9549 -6.6239 -6.6239 -5.8778 -5.8778 -5.6758 -5.6758 -4.7606 -4.7606 -4.6745 -4.6745 -4.4185 -4.4185 -4.3335 -4.3335 -3.8733 -3.8733 -3.6798 -3.6798 -3.2761 -3.2761 -3.2394 -3.2394 -2.9127 -2.9127 -2.8118 -2.8118 -2.7465 -2.7465 -2.6032 -2.6032 -2.4768 -2.4768 -1.8171 -1.8171 -1.4168 -1.4168 -1.2662 -1.2662 -0.2337 -0.2337 -0.0423 -0.0423 0.1359 0.1359 0.3927 0.3927 0.4562 0.4562 0.9308 0.9308 1.1834 1.1834 1.3810 1.3810 1.5309 1.5309 1.6950 1.6950 1.8725 1.8725 2.0504 2.0504 2.1402 2.1402 4.5686 4.5686 4.9718 4.9718 5.1804 5.1804 5.5742 5.5742 7.6282 7.6282 7.9507 7.9507 8.2004 8.2004 8.4476 8.4476 k = 0.2778 0.1187 0.1334 ( 12707 PWs) bands (ev): -17.7681 -17.7681 -15.9475 -15.9475 -12.5517 -12.5517 -9.7381 -9.7381 -9.6880 -9.6880 -9.5197 -9.5197 -9.3141 -9.3141 -9.0084 -9.0084 -8.9566 -8.9566 -6.6243 -6.6243 -5.8778 -5.8778 -5.6767 -5.6767 -4.7602 -4.7602 -4.6755 -4.6755 -4.4194 -4.4194 -4.3333 -4.3333 -3.8756 -3.8756 -3.6804 -3.6804 -3.2736 -3.2736 -3.2411 -3.2411 -2.9127 -2.9127 -2.8098 -2.8098 -2.7448 -2.7448 -2.6027 -2.6027 -2.4772 -2.4772 -1.8140 -1.8140 -1.4150 -1.4150 -1.2708 -1.2708 -0.2224 -0.2224 -0.0340 -0.0340 0.1367 0.1367 0.3853 0.3853 0.4495 0.4495 0.9277 0.9277 1.1728 1.1728 1.3748 1.3748 1.5428 1.5428 1.6995 1.6995 1.8747 1.8747 2.0505 2.0505 2.1353 2.1353 4.5711 4.5711 4.9675 4.9675 5.1973 5.1973 5.5750 5.5750 7.6288 7.6288 7.9446 7.9446 8.2058 8.2058 8.4494 8.4494 k = 0.2963 0.1266 0.1423 ( 12706 PWs) bands (ev): -17.7681 -17.7681 -15.9476 -15.9476 -12.5519 -12.5519 -9.7368 -9.7368 -9.6878 -9.6878 -9.5167 -9.5167 -9.3179 -9.3179 -9.0070 -9.0070 -8.9584 -8.9584 -6.6247 -6.6247 -5.8778 -5.8778 -5.6776 -5.6776 -4.7596 -4.7596 -4.6766 -4.6766 -4.4202 -4.4202 -4.3332 -4.3332 -3.8779 -3.8779 -3.6809 -3.6809 -3.2715 -3.2715 -3.2426 -3.2426 -2.9125 -2.9125 -2.8080 -2.8080 -2.7433 -2.7433 -2.6024 -2.6024 -2.4777 -2.4777 -1.8111 -1.8111 -1.4134 -1.4134 -1.2752 -1.2752 -0.2092 -0.2092 -0.0235 -0.0235 0.1383 0.1383 0.3773 0.3773 0.4428 0.4428 0.9212 0.9212 1.1593 1.1593 1.3675 1.3675 1.5558 1.5558 1.7056 1.7056 1.8765 1.8765 2.0518 2.0518 2.1309 2.1309 4.5738 4.5738 4.9623 4.9623 5.2133 5.2133 5.5762 5.5762 7.6324 7.6324 7.9395 7.9395 8.2133 8.2133 8.4513 8.4513 k = 0.3148 0.1345 0.1512 ( 12691 PWs) bands (ev): -17.7681 -17.7681 -15.9476 -15.9476 -12.5521 -12.5521 -9.7355 -9.7355 -9.6876 -9.6876 -9.5137 -9.5137 -9.3217 -9.3217 -9.0056 -9.0056 -8.9601 -8.9601 -6.6250 -6.6250 -5.8779 -5.8779 -5.6785 -5.6785 -4.7588 -4.7588 -4.6777 -4.6777 -4.4211 -4.4211 -4.3332 -4.3332 -3.8801 -3.8801 -3.6813 -3.6813 -3.2698 -3.2698 -3.2436 -3.2436 -2.9122 -2.9122 -2.8064 -2.8064 -2.7419 -2.7419 -2.6023 -2.6023 -2.4784 -2.4784 -1.8086 -1.8086 -1.4120 -1.4120 -1.2794 -1.2794 -0.1945 -0.1945 -0.0110 -0.0110 0.1406 0.1406 0.3687 0.3687 0.4361 0.4361 0.9108 0.9108 1.1451 1.1451 1.3592 1.3592 1.5679 1.5679 1.7138 1.7138 1.8777 1.8777 2.0542 2.0542 2.1270 2.1270 4.5765 4.5765 4.9565 4.9565 5.2282 5.2282 5.5776 5.5776 7.6387 7.6387 7.9355 7.9355 8.2228 8.2228 8.4534 8.4534 k = 0.3333 0.1425 0.1601 ( 12696 PWs) bands (ev): -17.7681 -17.7681 -15.9476 -15.9476 -12.5523 -12.5523 -9.7343 -9.7343 -9.6874 -9.6874 -9.5108 -9.5108 -9.3255 -9.3255 -9.0042 -9.0042 -8.9618 -8.9618 -6.6253 -6.6253 -5.8779 -5.8779 -5.6793 -5.6793 -4.7579 -4.7579 -4.6788 -4.6788 -4.4219 -4.4219 -4.3333 -4.3333 -3.8821 -3.8821 -3.6817 -3.6817 -3.2686 -3.2686 -3.2442 -3.2442 -2.9119 -2.9119 -2.8051 -2.8051 -2.7406 -2.7406 -2.6024 -2.6024 -2.4792 -2.4792 -1.8063 -1.8063 -1.4107 -1.4107 -1.2832 -1.2832 -0.1788 -0.1788 0.0036 0.0036 0.1440 0.1440 0.3598 0.3598 0.4292 0.4292 0.8961 0.8961 1.1323 1.1323 1.3501 1.3501 1.5779 1.5779 1.7241 1.7241 1.8783 1.8783 2.0576 2.0576 2.1237 2.1237 4.5792 4.5792 4.9504 4.9504 5.2418 5.2418 5.5792 5.5792 7.6471 7.6471 7.9329 7.9329 8.2342 8.2342 8.4557 8.4557 k = 0.3519 0.1504 0.1690 ( 12691 PWs) bands (ev): -17.7680 -17.7680 -15.9477 -15.9477 -12.5525 -12.5525 -9.7331 -9.7331 -9.6872 -9.6872 -9.5079 -9.5079 -9.3291 -9.3291 -9.0028 -9.0028 -8.9635 -8.9635 -6.6256 -6.6256 -5.8779 -5.8779 -5.6800 -5.6800 -4.7569 -4.7569 -4.6800 -4.6800 -4.4227 -4.4227 -4.3335 -4.3335 -3.8840 -3.8840 -3.6821 -3.6821 -3.2679 -3.2679 -3.2443 -3.2443 -2.9114 -2.9114 -2.8041 -2.8041 -2.7395 -2.7395 -2.6025 -2.6025 -2.4800 -2.4800 -1.8044 -1.8044 -1.4096 -1.4096 -1.2867 -1.2867 -0.1629 -0.1629 0.0200 0.0200 0.1487 0.1487 0.3506 0.3506 0.4221 0.4221 0.8769 0.8769 1.1220 1.1220 1.3404 1.3404 1.5855 1.5855 1.7363 1.7363 1.8782 1.8782 2.0617 2.0617 2.1210 2.1210 4.5819 4.5819 4.9441 4.9441 5.2540 5.2540 5.5810 5.5810 7.6569 7.6569 7.9317 7.9317 8.2472 8.2472 8.4580 8.4580 k = 0.3704 0.1583 0.1779 ( 12690 PWs) bands (ev): -17.7680 -17.7680 -15.9477 -15.9477 -12.5527 -12.5527 -9.7321 -9.7321 -9.6870 -9.6870 -9.5051 -9.5051 -9.3325 -9.3325 -9.0015 -9.0015 -8.9651 -8.9651 -6.6258 -6.6258 -5.8779 -5.8779 -5.6807 -5.6807 -4.7559 -4.7559 -4.6811 -4.6811 -4.4235 -4.4235 -4.3338 -4.3338 -3.8857 -3.8857 -3.6823 -3.6823 -3.2676 -3.2676 -3.2441 -3.2441 -2.9110 -2.9110 -2.8032 -2.8032 -2.7384 -2.7384 -2.6028 -2.6028 -2.4809 -2.4809 -1.8028 -1.8028 -1.4087 -1.4087 -1.2897 -1.2897 -0.1477 -0.1477 0.0380 0.0380 0.1551 0.1551 0.3414 0.3414 0.4144 0.4144 0.8538 0.8538 1.1148 1.1148 1.3305 1.3305 1.5909 1.5909 1.7496 1.7496 1.8773 1.8773 2.0662 2.0662 2.1188 2.1188 4.5845 4.5845 4.9378 4.9378 5.2648 5.2648 5.5829 5.5829 7.6673 7.6673 7.9319 7.9319 8.2620 8.2620 8.4600 8.4600 k = 0.3889 0.1662 0.1868 ( 12689 PWs) bands (ev): -17.7680 -17.7680 -15.9477 -15.9477 -12.5529 -12.5529 -9.7312 -9.7312 -9.6868 -9.6868 -9.5026 -9.5026 -9.3357 -9.3357 -9.0003 -9.0003 -8.9665 -8.9665 -6.6260 -6.6260 -5.8779 -5.8779 -5.6814 -5.6814 -4.7548 -4.7548 -4.6821 -4.6821 -4.4242 -4.4242 -4.3341 -4.3341 -3.8873 -3.8873 -3.6826 -3.6826 -3.2677 -3.2677 -3.2437 -3.2437 -2.9105 -2.9105 -2.8026 -2.8026 -2.7375 -2.7375 -2.6031 -2.6031 -2.4818 -2.4818 -1.8015 -1.8015 -1.4079 -1.4079 -1.2923 -1.2923 -0.1337 -0.1337 0.0569 0.0569 0.1638 0.1638 0.3322 0.3322 0.4060 0.4060 0.8281 0.8281 1.1106 1.1106 1.3207 1.3207 1.5944 1.5944 1.7633 1.7633 1.8757 1.8757 2.0708 2.0708 2.1171 2.1171 4.5869 4.5869 4.9319 4.9319 5.2741 5.2741 5.5848 5.5848 7.6776 7.6776 7.9336 7.9336 8.2784 8.2784 8.4612 8.4612 k = 0.4074 0.1741 0.1957 ( 12687 PWs) bands (ev): -17.7680 -17.7680 -15.9477 -15.9477 -12.5530 -12.5530 -9.7304 -9.7304 -9.6867 -9.6867 -9.5003 -9.5003 -9.3385 -9.3385 -8.9991 -8.9991 -8.9679 -8.9679 -6.6262 -6.6262 -5.8779 -5.8779 -5.6819 -5.6819 -4.7537 -4.7537 -4.6831 -4.6831 -4.4249 -4.4249 -4.3343 -4.3343 -3.8886 -3.8886 -3.6827 -3.6827 -3.2679 -3.2679 -3.2431 -3.2431 -2.9101 -2.9101 -2.8021 -2.8021 -2.7367 -2.7367 -2.6035 -2.6035 -2.4826 -2.4826 -1.8005 -1.8005 -1.4073 -1.4073 -1.2945 -1.2945 -0.1217 -0.1217 0.0753 0.0753 0.1757 0.1757 0.3233 0.3233 0.3967 0.3967 0.8014 0.8014 1.1087 1.1087 1.3113 1.3113 1.5967 1.5967 1.7768 1.7768 1.8733 1.8733 2.0752 2.0752 2.1159 2.1159 4.5891 4.5891 4.9265 4.9265 5.2819 5.2819 5.5865 5.5865 7.6871 7.6871 7.9363 7.9363 8.2967 8.2967 8.4607 8.4607 k = 0.4259 0.1820 0.2046 ( 12695 PWs) bands (ev): -17.7679 -17.7679 -15.9477 -15.9477 -12.5531 -12.5531 -9.7297 -9.7297 -9.6866 -9.6866 -9.4983 -9.4983 -9.3409 -9.3409 -8.9981 -8.9981 -8.9691 -8.9691 -6.6263 -6.6263 -5.8779 -5.8779 -5.6823 -5.6823 -4.7528 -4.7528 -4.6840 -4.6840 -4.4255 -4.4255 -4.3346 -4.3346 -3.8897 -3.8897 -3.6829 -3.6829 -3.2682 -3.2682 -3.2425 -3.2425 -2.9097 -2.9097 -2.8018 -2.8018 -2.7360 -2.7360 -2.6038 -2.6038 -2.4833 -2.4833 -1.7997 -1.7997 -1.4067 -1.4067 -1.2962 -1.2962 -0.1118 -0.1118 0.0916 0.0916 0.1914 0.1914 0.3147 0.3147 0.3862 0.3862 0.7756 0.7756 1.1084 1.1084 1.3027 1.3027 1.5981 1.5981 1.7896 1.7896 1.8700 1.8700 2.0791 2.0791 2.1151 2.1151 4.5910 4.5910 4.9218 4.9218 5.2882 5.2882 5.5881 5.5881 7.6953 7.6953 7.9397 7.9397 8.3167 8.3167 8.4577 8.4577 k = 0.4444 0.1899 0.2135 ( 12694 PWs) bands (ev): -17.7679 -17.7679 -15.9477 -15.9477 -12.5532 -12.5532 -9.7292 -9.7292 -9.6865 -9.6865 -9.4966 -9.4966 -9.3429 -9.3429 -8.9973 -8.9973 -8.9700 -8.9700 -6.6264 -6.6264 -5.8779 -5.8779 -5.6827 -5.6827 -4.7519 -4.7519 -4.6847 -4.6847 -4.4259 -4.4259 -4.3348 -4.3348 -3.8906 -3.8906 -3.6830 -3.6830 -3.2684 -3.2684 -3.2419 -3.2419 -2.9093 -2.9093 -2.8016 -2.8016 -2.7355 -2.7355 -2.6041 -2.6041 -2.4840 -2.4840 -1.7992 -1.7992 -1.4063 -1.4063 -1.2976 -1.2976 -0.1042 -0.1042 0.1044 0.1044 0.2108 0.2108 0.3066 0.3066 0.3745 0.3745 0.7528 0.7528 1.1092 1.1092 1.2954 1.2954 1.5990 1.5990 1.8011 1.8011 1.8661 1.8661 2.0823 2.0823 2.1146 2.1146 4.5925 4.5925 4.9179 4.9179 5.2931 5.2931 5.5894 5.5894 7.7018 7.7018 7.9432 7.9432 8.3383 8.3383 8.4512 8.4512 k = 0.4630 0.1979 0.2224 ( 12697 PWs) bands (ev): -17.7679 -17.7679 -15.9478 -15.9478 -12.5532 -12.5532 -9.7288 -9.7288 -9.6864 -9.6864 -9.4954 -9.4954 -9.3444 -9.3444 -8.9966 -8.9966 -8.9708 -8.9708 -6.6265 -6.6265 -5.8779 -5.8779 -5.6830 -5.6830 -4.7513 -4.7513 -4.6853 -4.6853 -4.4263 -4.4263 -4.3350 -4.3350 -3.8912 -3.8912 -3.6830 -3.6830 -3.2687 -3.2687 -3.2415 -3.2415 -2.9091 -2.9091 -2.8015 -2.8015 -2.7351 -2.7351 -2.6043 -2.6043 -2.4844 -2.4844 -1.7988 -1.7988 -1.4061 -1.4061 -1.2985 -1.2985 -0.0988 -0.0988 0.1133 0.1133 0.2327 0.2327 0.2982 0.2982 0.3626 0.3626 0.7347 0.7347 1.1103 1.1103 1.2898 1.2898 1.5995 1.5995 1.8109 1.8109 1.8620 1.8620 2.0847 2.0847 2.1144 2.1144 4.5936 4.5936 4.9151 4.9151 5.2966 5.2966 5.5904 5.5904 7.7065 7.7065 7.9461 7.9461 8.3610 8.3610 8.4406 8.4406 k = 0.4815 0.2058 0.2313 ( 12706 PWs) bands (ev): -17.7679 -17.7679 -15.9478 -15.9478 -12.5533 -12.5533 -9.7286 -9.7286 -9.6864 -9.6864 -9.4947 -9.4947 -9.3453 -9.3453 -8.9962 -8.9962 -8.9712 -8.9712 -6.6265 -6.6265 -5.8779 -5.8779 -5.6831 -5.6831 -4.7509 -4.7509 -4.6856 -4.6856 -4.4265 -4.4265 -4.3351 -4.3351 -3.8916 -3.8916 -3.6831 -3.6831 -3.2688 -3.2688 -3.2412 -3.2412 -2.9089 -2.9089 -2.8015 -2.8015 -2.7348 -2.7348 -2.6045 -2.6045 -2.4847 -2.4847 -1.7985 -1.7985 -1.4059 -1.4059 -1.2990 -1.2990 -0.0957 -0.0957 0.1184 0.1184 0.2544 0.2544 0.2882 0.2882 0.3527 0.3527 0.7231 0.7231 1.1112 1.1112 1.2862 1.2862 1.5997 1.5997 1.8179 1.8179 1.8583 1.8583 2.0861 2.0861 2.1143 2.1143 4.5943 4.5943 4.9133 4.9133 5.2987 5.2987 5.5910 5.5910 7.7093 7.7093 7.9481 7.9481 8.3836 8.3836 8.4257 8.4257 k = 0.5000 0.2137 0.2402 ( 12704 PWs) bands (ev): -17.7679 -17.7679 -15.9478 -15.9478 -12.5533 -12.5533 -9.7285 -9.7285 -9.6864 -9.6864 -9.4944 -9.4944 -9.3456 -9.3456 -8.9961 -8.9961 -8.9714 -8.9714 -6.6266 -6.6266 -5.8779 -5.8779 -5.6832 -5.6832 -4.7508 -4.7508 -4.6857 -4.6857 -4.4266 -4.4266 -4.3351 -4.3351 -3.8917 -3.8917 -3.6831 -3.6831 -3.2689 -3.2689 -3.2412 -3.2412 -2.9088 -2.9088 -2.8015 -2.8015 -2.7347 -2.7347 -2.6045 -2.6045 -2.4848 -2.4848 -1.7985 -1.7985 -1.4058 -1.4058 -1.2992 -1.2992 -0.0946 -0.0946 0.1201 0.1201 0.2704 0.2704 0.2769 0.2769 0.3487 0.3487 0.7191 0.7191 1.1115 1.1115 1.2850 1.2850 1.5998 1.5998 1.8206 1.8206 1.8568 1.8568 2.0866 2.0866 2.1143 2.1143 4.5946 4.5946 4.9127 4.9127 5.2994 5.2994 5.5912 5.5912 7.7103 7.7103 7.9489 7.9489 8.4011 8.4011 8.4109 8.4109 k = 0.5000-0.3295 0.0912 ( 12658 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5499 -12.5499 -9.7370 -9.7370 -9.6732 -9.6732 -9.4593 -9.4593 -9.3732 -9.3732 -8.9989 -8.9989 -8.9865 -8.9865 -6.6244 -6.6244 -5.8753 -5.8753 -5.6679 -5.6679 -4.7562 -4.7562 -4.6871 -4.6871 -4.4343 -4.4343 -4.3493 -4.3493 -3.8544 -3.8544 -3.6936 -3.6936 -3.2625 -3.2625 -3.2215 -3.2215 -2.9174 -2.9174 -2.8176 -2.8176 -2.7741 -2.7741 -2.6125 -2.6125 -2.5101 -2.5101 -2.0108 -2.0108 -1.6093 -1.6093 -1.3818 -1.3818 -0.2014 -0.2014 0.1595 0.1595 0.2152 0.2152 0.3423 0.3423 0.9224 0.9224 1.1498 1.1498 1.2152 1.2152 1.3691 1.3691 1.5044 1.5044 1.7744 1.7744 2.0526 2.0526 2.1820 2.1820 2.1835 2.1835 4.4555 4.4555 5.3001 5.3001 5.3783 5.3783 5.6416 5.6416 6.5962 6.5962 6.8250 6.8250 7.7276 7.7276 8.4971 8.4971 k = 0.4815-0.3173 0.0878 ( 12657 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5499 -12.5499 -9.7370 -9.7370 -9.6732 -9.6732 -9.4601 -9.4601 -9.3724 -9.3724 -8.9992 -8.9992 -8.9862 -8.9862 -6.6244 -6.6244 -5.8753 -5.8753 -5.6679 -5.6679 -4.7562 -4.7562 -4.6870 -4.6870 -4.4342 -4.4342 -4.3493 -4.3493 -3.8544 -3.8544 -3.6936 -3.6936 -3.2624 -3.2624 -3.2217 -3.2217 -2.9174 -2.9174 -2.8177 -2.8177 -2.7741 -2.7741 -2.6125 -2.6125 -2.5100 -2.5100 -2.0107 -2.0107 -1.6079 -1.6079 -1.3819 -1.3819 -0.2013 -0.2013 0.1548 0.1548 0.2197 0.2197 0.3424 0.3424 0.9215 0.9215 1.1421 1.1421 1.2217 1.2217 1.3696 1.3696 1.5033 1.5033 1.7741 1.7741 2.0516 2.0516 2.1759 2.1759 2.1888 2.1888 4.4558 4.4558 5.2985 5.2985 5.3771 5.3771 5.6412 5.6412 6.5984 6.5984 6.8322 6.8322 7.7292 7.7292 8.4953 8.4953 k = 0.4630-0.3051 0.0844 ( 12661 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5499 -12.5499 -9.7371 -9.7371 -9.6734 -9.6734 -9.4622 -9.4622 -9.3703 -9.3703 -8.9999 -8.9999 -8.9852 -8.9852 -6.6244 -6.6244 -5.8753 -5.8753 -5.6679 -5.6679 -4.7562 -4.7562 -4.6867 -4.6867 -4.4340 -4.4340 -4.3492 -4.3492 -3.8543 -3.8543 -3.6934 -3.6934 -3.2622 -3.2622 -3.2224 -3.2224 -2.9173 -2.9173 -2.8178 -2.8178 -2.7740 -2.7740 -2.6126 -2.6126 -2.5095 -2.5095 -2.0106 -2.0106 -1.6037 -1.6037 -1.3822 -1.3822 -0.2010 -0.2010 0.1435 0.1435 0.2305 0.2305 0.3426 0.3426 0.9186 0.9186 1.1245 1.1245 1.2359 1.2359 1.3712 1.3712 1.5000 1.5000 1.7732 1.7732 2.0487 2.0487 2.1684 2.1684 2.1937 2.1937 4.4568 4.4568 5.2936 5.2936 5.3735 5.3735 5.6397 5.6397 6.6055 6.6055 6.8533 6.8533 7.7338 7.7338 8.4902 8.4902 k = 0.4444-0.2929 0.0811 ( 12657 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5499 -12.5499 -9.7374 -9.7374 -9.6736 -9.6736 -9.4655 -9.4655 -9.3669 -9.3669 -9.0009 -9.0009 -8.9838 -8.9838 -6.6243 -6.6243 -5.8753 -5.8753 -5.6679 -5.6679 -4.7563 -4.7563 -4.6862 -4.6862 -4.4337 -4.4337 -4.3491 -4.3491 -3.8542 -3.8542 -3.6931 -3.6931 -3.2620 -3.2620 -3.2233 -3.2233 -2.9172 -2.9172 -2.8180 -2.8180 -2.7740 -2.7740 -2.6126 -2.6126 -2.5088 -2.5088 -2.0103 -2.0103 -1.5967 -1.5967 -1.3826 -1.3826 -0.2006 -0.2006 0.1295 0.1295 0.2439 0.2439 0.3428 0.3428 0.9135 0.9135 1.1031 1.1031 1.2517 1.2517 1.3737 1.3737 1.4949 1.4949 1.7718 1.7718 2.0438 2.0438 2.1604 2.1604 2.1974 2.1974 4.4584 4.4584 5.2858 5.2858 5.3675 5.3675 5.6375 5.6375 6.6185 6.6185 6.8864 6.8864 7.7416 7.7416 8.4824 8.4824 k = 0.4259-0.2807 0.0777 ( 12654 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5499 -12.5499 -9.7376 -9.7376 -9.6739 -9.6739 -9.4697 -9.4697 -9.3627 -9.3627 -9.0021 -9.0021 -8.9821 -8.9821 -6.6242 -6.6242 -5.8754 -5.8754 -5.6678 -5.6678 -4.7565 -4.7565 -4.6855 -4.6855 -4.4332 -4.4332 -4.3489 -4.3489 -3.8540 -3.8540 -3.6927 -3.6927 -3.2617 -3.2617 -3.2247 -3.2247 -2.9171 -2.9171 -2.8183 -2.8183 -2.7739 -2.7739 -2.6127 -2.6127 -2.5079 -2.5079 -2.0098 -2.0098 -1.5873 -1.5873 -1.3833 -1.3833 -0.2000 -0.2000 0.1142 0.1142 0.2584 0.2584 0.3431 0.3431 0.9058 0.9058 1.0806 1.0806 1.2668 1.2668 1.3772 1.3772 1.4883 1.4883 1.7697 1.7697 2.0372 2.0372 2.1523 2.1523 2.2000 2.2000 4.4605 4.4605 5.2756 5.2756 5.3590 5.3590 5.6345 5.6345 6.6384 6.6384 6.9294 6.9294 7.7524 7.7524 8.4727 8.4727 k = 0.4074-0.2685 0.0743 ( 12643 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5498 -12.5498 -9.7380 -9.7380 -9.6743 -9.6743 -9.4745 -9.4745 -9.3578 -9.3578 -9.0033 -9.0033 -8.9801 -8.9801 -6.6240 -6.6240 -5.8754 -5.8754 -5.6678 -5.6678 -4.7566 -4.7566 -4.6847 -4.6847 -4.4326 -4.4326 -4.3486 -4.3486 -3.8537 -3.8537 -3.6922 -3.6922 -3.2614 -3.2614 -3.2263 -3.2263 -2.9170 -2.9170 -2.8187 -2.8187 -2.7738 -2.7738 -2.6128 -2.6128 -2.5067 -2.5067 -2.0088 -2.0088 -1.5755 -1.5755 -1.3842 -1.3842 -0.1992 -0.1992 0.0984 0.0984 0.2731 0.2731 0.3434 0.3434 0.8947 0.8947 1.0584 1.0584 1.2802 1.2802 1.3812 1.3812 1.4809 1.4809 1.7670 1.7670 2.0290 2.0290 2.1439 2.1439 2.2015 2.2015 4.4632 4.4632 5.2635 5.2635 5.3481 5.3481 5.6310 5.6310 6.6658 6.6658 6.9803 6.9803 7.7661 7.7661 8.4619 8.4619 k = 0.3889-0.2563 0.0709 ( 12654 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5498 -12.5498 -9.7385 -9.7385 -9.6748 -9.6748 -9.4797 -9.4797 -9.3525 -9.3525 -9.0046 -9.0046 -8.9780 -8.9780 -6.6238 -6.6238 -5.8755 -5.8755 -5.6678 -5.6678 -4.7567 -4.7567 -4.6838 -4.6838 -4.4319 -4.4319 -4.3484 -4.3484 -3.8535 -3.8535 -3.6917 -3.6917 -3.2611 -3.2611 -3.2280 -3.2280 -2.9168 -2.9168 -2.8193 -2.8193 -2.7737 -2.7737 -2.6129 -2.6129 -2.5054 -2.5054 -2.0072 -2.0072 -1.5616 -1.5616 -1.3852 -1.3852 -0.1982 -0.1982 0.0826 0.0826 0.2876 0.2876 0.3436 0.3436 0.8796 0.8796 1.0377 1.0377 1.2913 1.2913 1.3852 1.3852 1.4739 1.4739 1.7637 1.7637 2.0194 2.0194 2.1356 2.1356 2.2020 2.2020 4.4663 4.4663 5.2500 5.2500 5.3348 5.3348 5.6272 5.6272 6.7009 6.7009 7.0372 7.0372 7.7826 7.7826 8.4508 8.4508 k = 0.3704-0.2441 0.0675 ( 12661 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5498 -12.5498 -9.7390 -9.7390 -9.6754 -9.6754 -9.4851 -9.4851 -9.3469 -9.3469 -9.0059 -9.0059 -8.9758 -8.9758 -6.6236 -6.6236 -5.8756 -5.8756 -5.6677 -5.6677 -4.7569 -4.7569 -4.6827 -4.6827 -4.4310 -4.4310 -4.3481 -4.3481 -3.8532 -3.8532 -3.6910 -3.6910 -3.2610 -3.2610 -3.2298 -3.2298 -2.9164 -2.9164 -2.8199 -2.8199 -2.7735 -2.7735 -2.6130 -2.6130 -2.5039 -2.5039 -2.0050 -2.0050 -1.5460 -1.5460 -1.3864 -1.3864 -0.1972 -0.1972 0.0670 0.0670 0.3016 0.3016 0.3440 0.3440 0.8602 0.8602 1.0191 1.0191 1.2994 1.2994 1.3879 1.3879 1.4688 1.4688 1.7599 1.7599 2.0086 2.0086 2.1274 2.1274 2.2017 2.2017 4.4697 4.4697 5.2354 5.2354 5.3193 5.3193 5.6232 5.6232 6.7432 6.7432 7.0986 7.0986 7.8017 7.8017 8.4400 8.4400 k = 0.3519-0.2319 0.0642 ( 12671 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5498 -12.5498 -9.7396 -9.7396 -9.6761 -9.6761 -9.4906 -9.4906 -9.3413 -9.3413 -9.0072 -9.0072 -8.9734 -8.9734 -6.6234 -6.6234 -5.8757 -5.8757 -5.6677 -5.6677 -4.7570 -4.7570 -4.6816 -4.6816 -4.4300 -4.4300 -4.3478 -4.3478 -3.8529 -3.8529 -3.6902 -3.6902 -3.2612 -3.2612 -3.2315 -3.2315 -2.9161 -2.9161 -2.8207 -2.8207 -2.7734 -2.7734 -2.6131 -2.6131 -2.5022 -2.5022 -2.0018 -2.0018 -1.5289 -1.5289 -1.3877 -1.3877 -0.1961 -0.1961 0.0519 0.0519 0.3138 0.3138 0.3454 0.3454 0.8365 0.8365 1.0026 1.0026 1.3040 1.3040 1.3885 1.3885 1.4675 1.4675 1.7554 1.7554 1.9966 1.9966 2.1195 2.1195 2.2009 2.2009 4.4734 4.4734 5.2203 5.2203 5.3019 5.3019 5.6192 5.6192 6.7922 6.7922 7.1632 7.1632 7.8234 7.8234 8.4299 8.4299 k = 0.3333-0.2197 0.0608 ( 12672 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5498 -12.5498 -9.7403 -9.7403 -9.6768 -9.6768 -9.4960 -9.4960 -9.3356 -9.3356 -9.0084 -9.0084 -8.9710 -8.9710 -6.6231 -6.6231 -5.8758 -5.8758 -5.6677 -5.6677 -4.7572 -4.7572 -4.6805 -4.6805 -4.4289 -4.4289 -4.3474 -4.3474 -3.8526 -3.8526 -3.6893 -3.6893 -3.2619 -3.2619 -3.2329 -3.2329 -2.9156 -2.9156 -2.8217 -2.8217 -2.7732 -2.7732 -2.6132 -2.6132 -2.5005 -2.5005 -1.9977 -1.9977 -1.5107 -1.5107 -1.3890 -1.3890 -0.1951 -0.1951 0.0377 0.0377 0.3220 0.3220 0.3498 0.3498 0.8093 0.8093 0.9879 0.9879 1.3043 1.3043 1.3871 1.3871 1.4708 1.4708 1.7505 1.7505 1.9837 1.9837 2.1122 2.1122 2.1999 2.1999 4.4774 4.4774 5.2048 5.2048 5.2828 5.2828 5.6154 5.6154 6.8470 6.8470 7.2300 7.2300 7.8472 7.8472 8.4212 8.4212 k = 0.3148-0.2075 0.0574 ( 12683 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5498 -12.5498 -9.7411 -9.7411 -9.6777 -9.6777 -9.5013 -9.5013 -9.3301 -9.3301 -9.0096 -9.0096 -8.9685 -8.9685 -6.6229 -6.6229 -5.8760 -5.8760 -5.6676 -5.6676 -4.7572 -4.7572 -4.6793 -4.6793 -4.4278 -4.4278 -4.3471 -4.3471 -3.8523 -3.8523 -3.6883 -3.6883 -3.2631 -3.2631 -3.2338 -3.2338 -2.9149 -2.9149 -2.8228 -2.8228 -2.7730 -2.7730 -2.6133 -2.6133 -2.4988 -2.4988 -1.9926 -1.9926 -1.4916 -1.4916 -1.3904 -1.3904 -0.1945 -0.1945 0.0246 0.0246 0.3242 0.3242 0.3589 0.3589 0.7793 0.7793 0.9743 0.9743 1.2992 1.2992 1.3855 1.3855 1.4779 1.4779 1.7452 1.7452 1.9699 1.9699 2.1056 2.1056 2.1987 2.1987 4.4815 4.4815 5.1892 5.1892 5.2621 5.2621 5.6118 5.6118 6.9068 6.9068 7.2979 7.2979 7.8728 7.8728 8.4141 8.4141 k = 0.2963-0.1953 0.0540 ( 12683 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5497 -12.5497 -9.7419 -9.7419 -9.6786 -9.6786 -9.5063 -9.5063 -9.3247 -9.3247 -9.0108 -9.0108 -8.9660 -8.9660 -6.6226 -6.6226 -5.8761 -5.8761 -5.6676 -5.6676 -4.7573 -4.7573 -4.6781 -4.6781 -4.4265 -4.4265 -4.3467 -4.3467 -3.8520 -3.8520 -3.6873 -3.6873 -3.2650 -3.2650 -3.2341 -3.2341 -2.9142 -2.9142 -2.8240 -2.8240 -2.7728 -2.7728 -2.6134 -2.6134 -2.4970 -2.4970 -1.9864 -1.9864 -1.4722 -1.4722 -1.3915 -1.3915 -0.1944 -0.1944 0.0131 0.0131 0.3222 0.3222 0.3707 0.3707 0.7478 0.7478 0.9612 0.9612 1.2885 1.2885 1.3856 1.3856 1.4875 1.4875 1.7396 1.7396 1.9554 1.9554 2.1000 2.1000 2.1976 2.1976 4.4858 4.4858 5.1737 5.1737 5.2404 5.2404 5.6084 5.6084 6.9705 6.9705 7.3663 7.3663 7.8999 7.8999 8.4091 8.4091 k = 0.2778-0.1831 0.0507 ( 12686 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5497 -12.5497 -9.7427 -9.7427 -9.6795 -9.6795 -9.5112 -9.5112 -9.3195 -9.3195 -9.0119 -9.0119 -8.9635 -8.9635 -6.6223 -6.6223 -5.8763 -5.8763 -5.6675 -5.6675 -4.7573 -4.7573 -4.6769 -4.6769 -4.4251 -4.4251 -4.3464 -4.3464 -3.8517 -3.8517 -3.6862 -3.6862 -3.2674 -3.2674 -3.2339 -3.2339 -2.9133 -2.9133 -2.8254 -2.8254 -2.7726 -2.7726 -2.6134 -2.6134 -2.4953 -2.4953 -1.9791 -1.9791 -1.4531 -1.4531 -1.3919 -1.3919 -0.1951 -0.1951 0.0036 0.0036 0.3177 0.3177 0.3833 0.3833 0.7156 0.7156 0.9480 0.9480 1.2732 1.2732 1.3876 1.3876 1.4984 1.4984 1.7336 1.7336 1.9405 1.9405 2.0956 2.0956 2.1967 2.1967 4.4902 4.4902 5.1581 5.1581 5.2179 5.2179 5.6053 5.6053 7.0372 7.0372 7.4346 7.4346 7.9277 7.9277 8.4065 8.4065 k = 0.2593-0.1709 0.0473 ( 12696 PWs) bands (ev): -17.7682 -17.7682 -15.9473 -15.9473 -12.5497 -12.5497 -9.7436 -9.7436 -9.6805 -9.6805 -9.5157 -9.5157 -9.3146 -9.3146 -9.0130 -9.0130 -8.9610 -8.9610 -6.6220 -6.6220 -5.8764 -5.8764 -5.6675 -5.6675 -4.7573 -4.7573 -4.6757 -4.6757 -4.4237 -4.4237 -4.3460 -4.3460 -3.8515 -3.8515 -3.6850 -3.6850 -3.2703 -3.2703 -3.2332 -3.2332 -2.9123 -2.9123 -2.8269 -2.8269 -2.7725 -2.7725 -2.6135 -2.6135 -2.4935 -2.4935 -1.9709 -1.9709 -1.4360 -1.4360 -1.3904 -1.3904 -0.1970 -0.1970 -0.0036 -0.0036 0.3113 0.3113 0.3959 0.3959 0.6837 0.6837 0.9343 0.9343 1.2545 1.2545 1.3914 1.3914 1.5097 1.5097 1.7276 1.7276 1.9254 1.9254 2.0923 2.0923 2.1960 2.1960 4.4948 4.4948 5.1422 5.1422 5.1951 5.1951 5.6024 5.6024 7.1058 7.1058 7.5023 7.5023 7.9558 7.9558 8.4064 8.4064 k = 0.2407-0.1587 0.0439 ( 12692 PWs) bands (ev): -17.7682 -17.7682 -15.9473 -15.9473 -12.5497 -12.5497 -9.7445 -9.7445 -9.6815 -9.6815 -9.5199 -9.5199 -9.3099 -9.3099 -9.0140 -9.0140 -8.9586 -8.9586 -6.6217 -6.6217 -5.8765 -5.8765 -5.6674 -5.6674 -4.7572 -4.7572 -4.6747 -4.6747 -4.4223 -4.4223 -4.3457 -4.3457 -3.8512 -3.8512 -3.6838 -3.6838 -3.2736 -3.2736 -3.2322 -3.2322 -2.9111 -2.9111 -2.8286 -2.8286 -2.7723 -2.7723 -2.6135 -2.6135 -2.4919 -2.4919 -1.9617 -1.9617 -1.4237 -1.4237 -1.3841 -1.3841 -0.2002 -0.2002 -0.0082 -0.0082 0.3030 0.3030 0.4081 0.4081 0.6530 0.6530 0.9200 0.9200 1.2335 1.2335 1.3965 1.3965 1.5208 1.5208 1.7215 1.7215 1.9107 1.9107 2.0902 2.0902 2.1957 2.1957 4.4996 4.4996 5.1257 5.1257 5.1728 5.1728 5.5998 5.5998 7.1754 7.1754 7.5693 7.5693 7.9834 7.9834 8.4091 8.4091 k = 0.2222-0.1465 0.0405 ( 12693 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5496 -12.5496 -9.7454 -9.7454 -9.6826 -9.6826 -9.5238 -9.5238 -9.3056 -9.3056 -9.0149 -9.0149 -8.9562 -8.9562 -6.6214 -6.6214 -5.8767 -5.8767 -5.6674 -5.6674 -4.7572 -4.7572 -4.6736 -4.6736 -4.4208 -4.4208 -4.3454 -4.3454 -3.8510 -3.8510 -3.6825 -3.6825 -3.2770 -3.2770 -3.2309 -3.2309 -2.9098 -2.9098 -2.8303 -2.8303 -2.7722 -2.7722 -2.6135 -2.6135 -2.4903 -2.4903 -1.9517 -1.9517 -1.4185 -1.4185 -1.3712 -1.3712 -0.2049 -0.2049 -0.0099 -0.0099 0.2931 0.2931 0.4196 0.4196 0.6240 0.6240 0.9048 0.9048 1.2111 1.2111 1.4024 1.4024 1.5312 1.5312 1.7156 1.7156 1.8967 1.8967 2.0891 2.0891 2.1958 2.1958 4.5044 4.5044 5.1078 5.1078 5.1521 5.1521 5.5974 5.5974 7.2450 7.2450 7.6351 7.6351 8.0098 8.0098 8.4145 8.4145 k = 0.2037-0.1343 0.0371 ( 12698 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5496 -12.5496 -9.7463 -9.7463 -9.6836 -9.6836 -9.5273 -9.5273 -9.3015 -9.3015 -9.0158 -9.0158 -8.9539 -8.9539 -6.6211 -6.6211 -5.8768 -5.8768 -5.6673 -5.6673 -4.7570 -4.7570 -4.6727 -4.6727 -4.4193 -4.4193 -4.3451 -4.3451 -3.8509 -3.8509 -3.6813 -3.6813 -3.2806 -3.2806 -3.2294 -3.2294 -2.9084 -2.9084 -2.8321 -2.8321 -2.7722 -2.7722 -2.6135 -2.6135 -2.4888 -2.4888 -1.9411 -1.9411 -1.4178 -1.4178 -1.3543 -1.3543 -0.2109 -0.2109 -0.0090 -0.0090 0.2814 0.2814 0.4304 0.4304 0.5975 0.5975 0.8890 0.8890 1.1881 1.1881 1.4091 1.4091 1.5403 1.5403 1.7100 1.7100 1.8837 1.8837 2.0889 2.0889 2.1962 2.1962 4.5095 4.5095 5.0878 5.0878 5.1340 5.1340 5.5952 5.5952 7.3135 7.3135 7.6996 7.6996 8.0346 8.0346 8.4223 8.4223 k = 0.1852-0.1220 0.0338 ( 12697 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5496 -12.5496 -9.7472 -9.7472 -9.6846 -9.6846 -9.5305 -9.5305 -9.2978 -9.2978 -9.0167 -9.0167 -8.9517 -8.9517 -6.6208 -6.6208 -5.8770 -5.8770 -5.6673 -5.6673 -4.7569 -4.7569 -4.6718 -4.6718 -4.4179 -4.4179 -4.3449 -4.3449 -3.8507 -3.8507 -3.6800 -3.6800 -3.2841 -3.2841 -3.2278 -3.2278 -2.9068 -2.9068 -2.8340 -2.8340 -2.7722 -2.7722 -2.6135 -2.6135 -2.4875 -2.4875 -1.9300 -1.9300 -1.4193 -1.4193 -1.3361 -1.3361 -0.2181 -0.2181 -0.0056 -0.0056 0.2681 0.2681 0.4402 0.4402 0.5741 0.5741 0.8725 0.8725 1.1649 1.1649 1.4164 1.4164 1.5476 1.5476 1.7050 1.7050 1.8722 1.8722 2.0894 2.0894 2.1970 2.1970 4.5148 4.5148 5.0657 5.0657 5.1188 5.1188 5.5931 5.5931 7.3803 7.3803 7.7621 7.7621 8.0573 8.0573 8.4317 8.4317 k = 0.1667-0.1098 0.0304 ( 12702 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5496 -12.5496 -9.7481 -9.7481 -9.6856 -9.6856 -9.5334 -9.5334 -9.2944 -9.2944 -9.0174 -9.0174 -8.9496 -8.9496 -6.6206 -6.6206 -5.8771 -5.8771 -5.6673 -5.6673 -4.7567 -4.7567 -4.6711 -4.6711 -4.4165 -4.4165 -4.3447 -4.3447 -3.8507 -3.8507 -3.6788 -3.6788 -3.2875 -3.2875 -3.2263 -3.2263 -2.9052 -2.9052 -2.8360 -2.8360 -2.7722 -2.7722 -2.6135 -2.6135 -2.4862 -2.4862 -1.9187 -1.9187 -1.4216 -1.4216 -1.3181 -1.3181 -0.2260 -0.2260 0.0000 0.0000 0.2533 0.2533 0.4488 0.4488 0.5541 0.5541 0.8556 0.8556 1.1420 1.1420 1.4241 1.4241 1.5528 1.5528 1.7010 1.7010 1.8621 1.8621 2.0903 2.0903 2.1982 2.1982 4.5202 4.5202 5.0422 5.0422 5.1060 5.1060 5.5913 5.5913 7.4446 7.4446 7.8217 7.8217 8.0783 8.0783 8.4418 8.4418 k = 0.1481-0.0976 0.0270 ( 12704 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5496 -12.5496 -9.7490 -9.7490 -9.6865 -9.6865 -9.5359 -9.5359 -9.2914 -9.2914 -9.0181 -9.0181 -8.9477 -8.9477 -6.6203 -6.6203 -5.8772 -5.8772 -5.6672 -5.6672 -4.7566 -4.7566 -4.6704 -4.6704 -4.4151 -4.4151 -4.3446 -4.3446 -3.8506 -3.8506 -3.6777 -3.6777 -3.2907 -3.2907 -3.2247 -3.2247 -2.9035 -2.9035 -2.8379 -2.8379 -2.7722 -2.7722 -2.6134 -2.6134 -2.4851 -2.4851 -1.9074 -1.9074 -1.4243 -1.4243 -1.3010 -1.3010 -0.2343 -0.2343 0.0074 0.0074 0.2374 0.2374 0.4561 0.4561 0.5378 0.5378 0.8387 0.8387 1.1200 1.1200 1.4323 1.4323 1.5555 1.5555 1.6982 1.6982 1.8537 1.8537 2.0916 2.0916 2.1997 2.1997 4.5259 4.5259 5.0184 5.0184 5.0953 5.0953 5.5897 5.5897 7.5057 7.5057 7.8771 7.8771 8.0984 8.0984 8.4507 8.4507 k = 0.1296-0.0854 0.0236 ( 12705 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5495 -12.5495 -9.7498 -9.7498 -9.6874 -9.6874 -9.5380 -9.5380 -9.2887 -9.2887 -9.0187 -9.0187 -8.9459 -8.9459 -6.6201 -6.6201 -5.8774 -5.8774 -5.6672 -5.6672 -4.7564 -4.7564 -4.6698 -4.6698 -4.4139 -4.4139 -4.3445 -4.3445 -3.8505 -3.8505 -3.6766 -3.6766 -3.2937 -3.2937 -3.2233 -3.2233 -2.9017 -2.9017 -2.8398 -2.8398 -2.7723 -2.7723 -2.6134 -2.6134 -2.4841 -2.4841 -1.8964 -1.8964 -1.4272 -1.4272 -1.2850 -1.2850 -0.2426 -0.2426 0.0162 0.0162 0.2208 0.2208 0.4616 0.4616 0.5255 0.5255 0.8219 0.8219 1.0993 1.0993 1.4408 1.4408 1.5556 1.5556 1.6966 1.6966 1.8468 1.8468 2.0930 2.0930 2.2014 2.2014 4.5316 4.5316 4.9951 4.9951 5.0860 5.0860 5.5882 5.5882 7.5632 7.5632 7.9257 7.9257 8.1192 8.1192 8.4566 8.4566 k = 0.1111-0.0732 0.0203 ( 12706 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7505 -9.7505 -9.6882 -9.6882 -9.5399 -9.5399 -9.2864 -9.2864 -9.0193 -9.0193 -8.9443 -8.9443 -6.6199 -6.6199 -5.8775 -5.8775 -5.6671 -5.6671 -4.7562 -4.7562 -4.6693 -4.6693 -4.4127 -4.4127 -4.3444 -4.3444 -3.8505 -3.8505 -3.6755 -3.6755 -3.2964 -3.2964 -3.2219 -3.2219 -2.9000 -2.9000 -2.8417 -2.8417 -2.7724 -2.7724 -2.6134 -2.6134 -2.4832 -2.4832 -1.8860 -1.8860 -1.4301 -1.4301 -1.2705 -1.2705 -0.2505 -0.2505 0.0259 0.0259 0.2039 0.2039 0.4649 0.4649 0.5175 0.5175 0.8059 0.8059 1.0803 1.0803 1.4497 1.4497 1.5532 1.5532 1.6963 1.6963 1.8413 1.8413 2.0945 2.0945 2.2032 2.2032 4.5373 4.5373 4.9731 4.9731 5.0782 5.0782 5.5869 5.5869 7.6165 7.6165 7.9648 7.9648 8.1431 8.1431 8.4580 8.4580 k = 0.0926-0.0610 0.0169 ( 12712 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7512 -9.7512 -9.6889 -9.6889 -9.5414 -9.5414 -9.2844 -9.2844 -9.0198 -9.0198 -8.9430 -8.9430 -6.6197 -6.6197 -5.8776 -5.8776 -5.6671 -5.6671 -4.7560 -4.7560 -4.6689 -4.6689 -4.4117 -4.4117 -4.3443 -4.3443 -3.8505 -3.8505 -3.6746 -3.6746 -3.2988 -3.2988 -3.2207 -3.2207 -2.8983 -2.8983 -2.8435 -2.8435 -2.7725 -2.7725 -2.6133 -2.6133 -2.4824 -2.4824 -1.8765 -1.8765 -1.4328 -1.4328 -1.2579 -1.2579 -0.2578 -0.2578 0.0364 0.0364 0.1873 0.1873 0.4656 0.4656 0.5136 0.5136 0.7910 0.7910 1.0634 1.0634 1.4589 1.4589 1.5486 1.5486 1.6968 1.6968 1.8371 1.8371 2.0958 2.0958 2.2051 2.2051 4.5428 4.5428 4.9528 4.9528 5.0717 5.0717 5.5859 5.5859 7.6650 7.6650 7.9922 7.9922 8.1716 8.1716 8.4539 8.4539 k = 0.0741-0.0488 0.0135 ( 12706 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7517 -9.7517 -9.6894 -9.6894 -9.5427 -9.5427 -9.2828 -9.2828 -9.0202 -9.0202 -8.9418 -8.9418 -6.6196 -6.6196 -5.8776 -5.8776 -5.6671 -5.6671 -4.7559 -4.7559 -4.6685 -4.6685 -4.4109 -4.4109 -4.3443 -4.3443 -3.8505 -3.8505 -3.6739 -3.6739 -3.3008 -3.3008 -3.2197 -3.2197 -2.8968 -2.8968 -2.8450 -2.8450 -2.7726 -2.7726 -2.6133 -2.6133 -2.4818 -2.4818 -1.8682 -1.8682 -1.4353 -1.4353 -1.2472 -1.2472 -0.2641 -0.2641 0.0472 0.0472 0.1714 0.1714 0.4645 0.4645 0.5129 0.5129 0.7778 0.7778 1.0490 1.0490 1.4682 1.4682 1.5423 1.5423 1.6979 1.6979 1.8340 1.8340 2.0970 2.0970 2.2069 2.2069 4.5480 4.5480 4.9351 4.9351 5.0663 5.0663 5.5850 5.5850 7.7079 7.7079 8.0081 8.0081 8.2041 8.2041 8.4446 8.4446 k = 0.0556-0.0366 0.0101 ( 12711 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7521 -9.7521 -9.6899 -9.6899 -9.5436 -9.5436 -9.2815 -9.2815 -9.0205 -9.0205 -8.9410 -8.9410 -6.6195 -6.6195 -5.8777 -5.8777 -5.6671 -5.6671 -4.7558 -4.7558 -4.6683 -4.6683 -4.4102 -4.4102 -4.3443 -4.3443 -3.8505 -3.8505 -3.6733 -3.6733 -3.3024 -3.3024 -3.2189 -3.2189 -2.8955 -2.8955 -2.8464 -2.8464 -2.7727 -2.7727 -2.6133 -2.6133 -2.4813 -2.4813 -1.8614 -1.8614 -1.4374 -1.4374 -1.2387 -1.2387 -0.2693 -0.2693 0.0579 0.0579 0.1566 0.1566 0.4626 0.4626 0.5139 0.5139 0.7667 0.7667 1.0375 1.0375 1.4777 1.4777 1.5347 1.5347 1.6992 1.6992 1.8318 1.8318 2.0980 2.0980 2.2085 2.2085 4.5525 4.5525 4.9205 4.9205 5.0622 5.0622 5.5843 5.5843 7.7443 7.7443 8.0154 8.0154 8.2376 8.2376 8.4313 8.4313 k = 0.0370-0.0244 0.0068 ( 12716 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7525 -9.7525 -9.6902 -9.6902 -9.5443 -9.5443 -9.2806 -9.2806 -9.0207 -9.0207 -8.9403 -8.9403 -6.6194 -6.6194 -5.8778 -5.8778 -5.6671 -5.6671 -4.7557 -4.7557 -4.6681 -4.6681 -4.4097 -4.4097 -4.3443 -4.3443 -3.8505 -3.8505 -3.6728 -3.6728 -3.3035 -3.3035 -3.2183 -3.2183 -2.8945 -2.8945 -2.8474 -2.8474 -2.7727 -2.7727 -2.6132 -2.6132 -2.4810 -2.4810 -1.8563 -1.8563 -1.4390 -1.4390 -1.2325 -1.2325 -0.2731 -0.2731 0.0679 0.0679 0.1436 0.1436 0.4608 0.4608 0.5154 0.5154 0.7583 0.7583 1.0291 1.0291 1.4873 1.4873 1.5263 1.5263 1.7003 1.7003 1.8303 1.8303 2.0987 2.0987 2.2097 2.2097 4.5560 4.5560 4.9095 4.9095 5.0592 5.0592 5.5838 5.5838 7.7725 7.7725 8.0172 8.0172 8.2686 8.2686 8.4158 8.4158 k = 0.0185-0.0122 0.0034 ( 12717 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7527 -9.7527 -9.6904 -9.6904 -9.5447 -9.5447 -9.2801 -9.2801 -9.0208 -9.0208 -8.9399 -8.9399 -6.6193 -6.6193 -5.8778 -5.8778 -5.6670 -5.6670 -4.7556 -4.7556 -4.6680 -4.6680 -4.4094 -4.4094 -4.3442 -4.3442 -3.8505 -3.8505 -3.6725 -3.6725 -3.3042 -3.3042 -3.2180 -3.2180 -2.8938 -2.8938 -2.8481 -2.8481 -2.7728 -2.7728 -2.6132 -2.6132 -2.4808 -2.4808 -1.8532 -1.8532 -1.4400 -1.4400 -1.2288 -1.2288 -0.2755 -0.2755 0.0760 0.0760 0.1338 0.1338 0.4596 0.4596 0.5166 0.5166 0.7531 0.7531 1.0240 1.0240 1.4967 1.4967 1.5175 1.5175 1.7010 1.7010 1.8295 1.8295 2.0992 2.0992 2.2105 2.2105 4.5582 4.5582 4.9027 4.9027 5.0574 5.0574 5.5835 5.5835 7.7907 7.7907 8.0167 8.0167 8.2926 8.2926 8.4013 8.4013 k = 0.0000 0.0000 0.0000 ( 12711 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7527 -9.7527 -9.6905 -9.6905 -9.5449 -9.5449 -9.2799 -9.2799 -9.0209 -9.0209 -8.9398 -8.9398 -6.6193 -6.6193 -5.8778 -5.8778 -5.6670 -5.6670 -4.7556 -4.7556 -4.6680 -4.6680 -4.4093 -4.4093 -4.3442 -4.3442 -3.8505 -3.8505 -3.6724 -3.6724 -3.3044 -3.3044 -3.2178 -3.2178 -2.8936 -2.8936 -2.8483 -2.8483 -2.7728 -2.7728 -2.6132 -2.6132 -2.4807 -2.4807 -1.8522 -1.8522 -1.4403 -1.4403 -1.2275 -1.2275 -0.2763 -0.2763 0.0793 0.0793 0.1299 0.1299 0.4592 0.4592 0.5170 0.5170 0.7513 0.7513 1.0223 1.0223 1.5031 1.5031 1.5113 1.5113 1.7013 1.7013 1.8292 1.8292 2.0993 2.0993 2.2107 2.2107 4.5590 4.5590 4.9004 4.9004 5.0568 5.0568 5.5834 5.5834 7.7970 7.7970 8.0163 8.0163 8.3025 8.3025 8.3947 8.3947 k = 0.0000 0.0000 0.0000 ( 12711 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7527 -9.7527 -9.6905 -9.6905 -9.5449 -9.5449 -9.2799 -9.2799 -9.0209 -9.0209 -8.9398 -8.9398 -6.6193 -6.6193 -5.8778 -5.8778 -5.6670 -5.6670 -4.7556 -4.7556 -4.6680 -4.6680 -4.4093 -4.4093 -4.3442 -4.3442 -3.8505 -3.8505 -3.6724 -3.6724 -3.3044 -3.3044 -3.2178 -3.2178 -2.8936 -2.8936 -2.8483 -2.8483 -2.7728 -2.7728 -2.6132 -2.6132 -2.4807 -2.4807 -1.8522 -1.8522 -1.4403 -1.4403 -1.2275 -1.2275 -0.2763 -0.2763 0.0793 0.0793 0.1299 0.1299 0.4592 0.4592 0.5170 0.5170 0.7513 0.7513 1.0223 1.0223 1.5031 1.5031 1.5113 1.5113 1.7013 1.7013 1.8292 1.8292 2.0993 2.0993 2.2107 2.2107 4.5590 4.5590 4.9004 4.9004 5.0568 5.0568 5.5834 5.5834 7.7970 7.7970 8.0163 8.0163 8.3025 8.3025 8.3947 8.3947 k =-0.0192-0.0082 0.0086 ( 12715 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7525 -9.7525 -9.6904 -9.6904 -9.5449 -9.5449 -9.2800 -9.2800 -9.0209 -9.0209 -8.9400 -8.9400 -6.6193 -6.6193 -5.8778 -5.8778 -5.6671 -5.6671 -4.7556 -4.7556 -4.6681 -4.6681 -4.4093 -4.4093 -4.3442 -4.3442 -3.8506 -3.8506 -3.6726 -3.6726 -3.3040 -3.3040 -3.2179 -3.2179 -2.8937 -2.8937 -2.8481 -2.8481 -2.7726 -2.7726 -2.6132 -2.6132 -2.4806 -2.4806 -1.8522 -1.8522 -1.4402 -1.4402 -1.2271 -1.2271 -0.2746 -0.2746 0.0752 0.0752 0.1316 0.1316 0.4574 0.4574 0.5168 0.5168 0.7523 0.7523 1.0239 1.0239 1.5015 1.5015 1.5119 1.5119 1.7005 1.7005 1.8298 1.8298 2.0989 2.0989 2.2109 2.2109 4.5588 4.5588 4.9045 4.9045 5.0557 5.0557 5.5833 5.5833 7.7956 7.7956 8.0147 8.0147 8.3030 8.3030 8.3943 8.3943 k =-0.0385-0.0164 0.0171 ( 12706 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5496 -12.5496 -9.7518 -9.7518 -9.6903 -9.6903 -9.5450 -9.5450 -9.2802 -9.2802 -9.0209 -9.0209 -8.9405 -8.9405 -6.6193 -6.6193 -5.8779 -5.8779 -5.6674 -5.6674 -4.7555 -4.7555 -4.6683 -4.6683 -4.4092 -4.4092 -4.3441 -4.3441 -3.8511 -3.8511 -3.6730 -3.6730 -3.3026 -3.3026 -3.2182 -3.2182 -2.8938 -2.8938 -2.8478 -2.8478 -2.7720 -2.7720 -2.6132 -2.6132 -2.4805 -2.4805 -1.8523 -1.8523 -1.4399 -1.4399 -1.2258 -1.2258 -0.2697 -0.2697 0.0641 0.0641 0.1357 0.1357 0.4522 0.4522 0.5160 0.5160 0.7554 0.7554 1.0287 1.0287 1.4974 1.4974 1.5129 1.5129 1.6985 1.6985 1.8316 1.8316 2.0979 2.0979 2.2114 2.2114 4.5584 4.5584 4.9162 4.9162 5.0527 5.0527 5.5830 5.5830 7.7915 7.7915 8.0100 8.0100 8.3043 8.3043 8.3930 8.3930 k =-0.0577-0.0247 0.0257 ( 12700 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5496 -12.5496 -9.7507 -9.7507 -9.6900 -9.6900 -9.5452 -9.5452 -9.2805 -9.2805 -9.0209 -9.0209 -8.9415 -8.9415 -6.6193 -6.6193 -5.8779 -5.8779 -5.6679 -5.6679 -4.7554 -4.7554 -4.6688 -4.6688 -4.4092 -4.4092 -4.3439 -4.3439 -3.8518 -3.8518 -3.6736 -3.6736 -3.3003 -3.3003 -3.2187 -3.2187 -2.8940 -2.8940 -2.8471 -2.8471 -2.7710 -2.7710 -2.6132 -2.6132 -2.4803 -2.4803 -1.8524 -1.8524 -1.4394 -1.4394 -1.2238 -1.2238 -0.2616 -0.2616 0.0481 0.0481 0.1405 0.1405 0.4438 0.4438 0.5143 0.5143 0.7610 0.7610 1.0361 1.0361 1.4917 1.4917 1.5135 1.5135 1.6953 1.6953 1.8345 1.8345 2.0962 2.0962 2.2122 2.2122 4.5584 4.5584 4.9334 4.9334 5.0489 5.0489 5.5825 5.5825 7.7847 7.7847 8.0029 8.0029 8.3063 8.3063 8.3903 8.3903 k =-0.0769-0.0329 0.0343 ( 12711 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5498 -12.5498 -9.7493 -9.7493 -9.6896 -9.6896 -9.5453 -9.5453 -9.2810 -9.2810 -9.0210 -9.0210 -8.9428 -8.9428 -6.6194 -6.6194 -5.8781 -5.8781 -5.6687 -5.6687 -4.7552 -4.7552 -4.6695 -4.6695 -4.4092 -4.4092 -4.3436 -4.3436 -3.8527 -3.8527 -3.6745 -3.6745 -3.2973 -3.2973 -3.2193 -3.2193 -2.8942 -2.8942 -2.8463 -2.8463 -2.7697 -2.7697 -2.6131 -2.6131 -2.4799 -2.4799 -1.8525 -1.8525 -1.4387 -1.4387 -1.2210 -1.2210 -0.2506 -0.2506 0.0287 0.0287 0.1452 0.1452 0.4325 0.4325 0.5109 0.5109 0.7690 0.7690 1.0457 1.0457 1.4846 1.4846 1.5137 1.5137 1.6915 1.6915 1.8384 1.8384 2.0939 2.0939 2.2133 2.2133 4.5593 4.5593 4.9521 4.9521 5.0474 5.0474 5.5819 5.5819 7.7755 7.7755 7.9940 7.9940 8.3086 8.3086 8.3855 8.3855 k =-0.0962-0.0411 0.0428 ( 12716 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5499 -12.5499 -9.7476 -9.7476 -9.6891 -9.6891 -9.5453 -9.5453 -9.2816 -9.2816 -9.0212 -9.0212 -8.9444 -8.9444 -6.6194 -6.6194 -5.8782 -5.8782 -5.6695 -5.6695 -4.7550 -4.7550 -4.6703 -4.6703 -4.4091 -4.4091 -4.3432 -4.3432 -3.8540 -3.8540 -3.6755 -3.6755 -3.2936 -3.2936 -3.2200 -3.2200 -2.8944 -2.8944 -2.8454 -2.8454 -2.7681 -2.7681 -2.6130 -2.6130 -2.4795 -2.4795 -1.8526 -1.8526 -1.4378 -1.4378 -1.2175 -1.2175 -0.2370 -0.2370 0.0069 0.0069 0.1496 0.1496 0.4190 0.4190 0.5055 0.5055 0.7796 0.7796 1.0566 1.0566 1.4761 1.4761 1.5136 1.5136 1.6873 1.6873 1.8433 1.8433 2.0911 2.0911 2.2145 2.2145 4.5617 4.5617 4.9649 4.9649 5.0543 5.0543 5.5812 5.5812 7.7640 7.7640 7.9840 7.9840 8.3103 8.3103 8.3784 8.3784 k =-0.1154-0.0493 0.0514 ( 12722 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5501 -12.5501 -9.7457 -9.7457 -9.6884 -9.6884 -9.5451 -9.5451 -9.2824 -9.2824 -9.0214 -9.0214 -8.9464 -8.9464 -6.6194 -6.6194 -5.8784 -5.8784 -5.6706 -5.6706 -4.7546 -4.7546 -4.6712 -4.6712 -4.4091 -4.4091 -4.3428 -4.3428 -3.8554 -3.8554 -3.6765 -3.6765 -3.2895 -3.2895 -3.2206 -3.2206 -2.8946 -2.8946 -2.8442 -2.8442 -2.7661 -2.7661 -2.6129 -2.6129 -2.4790 -2.4790 -1.8526 -1.8526 -1.4369 -1.4369 -1.2135 -1.2135 -0.2212 -0.2212 -0.0164 -0.0164 0.1535 0.1535 0.4041 0.4041 0.4976 0.4976 0.7924 0.7924 1.0683 1.0683 1.4664 1.4664 1.5136 1.5136 1.6831 1.6831 1.8490 1.8490 2.0878 2.0878 2.2159 2.2159 4.5658 4.5658 4.9661 4.9661 5.0743 5.0743 5.5804 5.5804 7.7508 7.7508 7.9737 7.9737 8.3093 8.3093 8.3705 8.3705 k =-0.1346-0.0575 0.0599 ( 12717 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5503 -12.5503 -9.7438 -9.7438 -9.6877 -9.6877 -9.5444 -9.5444 -9.2832 -9.2832 -9.0218 -9.0218 -8.9488 -8.9488 -6.6195 -6.6195 -5.8786 -5.8786 -5.6718 -5.6718 -4.7542 -4.7542 -4.6723 -4.6723 -4.4090 -4.4090 -4.3423 -4.3423 -3.8569 -3.8569 -3.6777 -3.6777 -3.2851 -3.2851 -3.2212 -3.2212 -2.8947 -2.8947 -2.8431 -2.8431 -2.7639 -2.7639 -2.6127 -2.6127 -2.4785 -2.4785 -1.8525 -1.8525 -1.4358 -1.4358 -1.2091 -1.2091 -0.2041 -0.2041 -0.0403 -0.0403 0.1568 0.1568 0.3888 0.3888 0.4873 0.4873 0.8071 0.8071 1.0800 1.0800 1.4555 1.4555 1.5138 1.5138 1.6792 1.6792 1.8555 1.8555 2.0842 2.0842 2.2173 2.2173 4.5714 4.5714 4.9585 4.9585 5.1038 5.1038 5.5797 5.5797 7.7363 7.7363 7.9635 7.9635 8.3023 8.3023 8.3648 8.3648 k =-0.1538-0.0657 0.0685 ( 12717 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5505 -12.5505 -9.7420 -9.7420 -9.6868 -9.6868 -9.5433 -9.5433 -9.2842 -9.2842 -9.0223 -9.0223 -8.9515 -8.9515 -6.6196 -6.6196 -5.8788 -5.8788 -5.6732 -5.6732 -4.7536 -4.7536 -4.6736 -4.6736 -4.4089 -4.4089 -4.3418 -4.3418 -3.8586 -3.8586 -3.6787 -3.6787 -3.2805 -3.2805 -3.2218 -3.2218 -2.8948 -2.8948 -2.8418 -2.8418 -2.7614 -2.7614 -2.6126 -2.6126 -2.4779 -2.4779 -1.8522 -1.8522 -1.4348 -1.4348 -1.2044 -1.2044 -0.1868 -0.1868 -0.0635 -0.0635 0.1593 0.1593 0.3737 0.3737 0.4748 0.4748 0.8231 0.8231 1.0912 1.0912 1.4437 1.4437 1.5147 1.5147 1.6758 1.6758 1.8628 1.8628 2.0802 2.0802 2.2187 2.2187 4.5782 4.5782 4.9470 4.9470 5.1372 5.1372 5.5789 5.5789 7.7212 7.7212 7.9537 7.9537 8.2868 8.2868 8.3642 8.3642 k =-0.1731-0.0740 0.0771 ( 12716 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5507 -12.5507 -9.7404 -9.7404 -9.6859 -9.6859 -9.5414 -9.5414 -9.2853 -9.2853 -9.0230 -9.0230 -8.9545 -8.9545 -6.6198 -6.6198 -5.8789 -5.8789 -5.6747 -5.6747 -4.7529 -4.7529 -4.6749 -4.6749 -4.4088 -4.4088 -4.3412 -4.3412 -3.8604 -3.8604 -3.6798 -3.6798 -3.2758 -3.2758 -3.2221 -3.2221 -2.8947 -2.8947 -2.8406 -2.8406 -2.7588 -2.7588 -2.6123 -2.6123 -2.4773 -2.4773 -1.8518 -1.8518 -1.4337 -1.4337 -1.1996 -1.1996 -0.1718 -0.1718 -0.0839 -0.0839 0.1607 0.1607 0.3599 0.3599 0.4607 0.4607 0.8397 0.8397 1.1016 1.1016 1.4310 1.4310 1.5164 1.5164 1.6729 1.6729 1.8707 1.8707 2.0761 2.0761 2.2201 2.2201 4.5855 4.5855 4.9347 4.9347 5.1709 5.1709 5.5782 5.5782 7.7061 7.7061 7.9446 7.9446 8.2647 8.2647 8.3682 8.3682 k =-0.1923-0.0822 0.0856 ( 12709 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5510 -12.5510 -9.7391 -9.7391 -9.6849 -9.6849 -9.5388 -9.5388 -9.2865 -9.2865 -9.0240 -9.0240 -8.9578 -8.9578 -6.6199 -6.6199 -5.8791 -5.8791 -5.6763 -5.6763 -4.7521 -4.7521 -4.6763 -4.6763 -4.4087 -4.4087 -4.3406 -4.3406 -3.8622 -3.8622 -3.6807 -3.6807 -3.2714 -3.2714 -3.2223 -3.2223 -2.8945 -2.8945 -2.8393 -2.8393 -2.7560 -2.7560 -2.6120 -2.6120 -2.4766 -2.4766 -1.8511 -1.8511 -1.4326 -1.4326 -1.1950 -1.1950 -0.1645 -0.1645 -0.0961 -0.0961 0.1608 0.1608 0.3481 0.3481 0.4458 0.4458 0.8563 0.8563 1.1108 1.1108 1.4177 1.4177 1.5192 1.5192 1.6707 1.6707 1.8792 1.8792 2.0718 2.0718 2.2215 2.2215 4.5923 4.5923 4.9238 4.9238 5.2028 5.2028 5.5774 5.5774 7.6918 7.6918 7.9360 7.9360 8.2395 8.2395 8.3750 8.3750 k =-0.2115-0.0904 0.0942 ( 12708 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5513 -12.5513 -9.7381 -9.7381 -9.6840 -9.6840 -9.5352 -9.5352 -9.2877 -9.2877 -9.0252 -9.0252 -8.9613 -8.9613 -6.6202 -6.6202 -5.8793 -5.8793 -5.6779 -5.6779 -4.7510 -4.7510 -4.6778 -4.6778 -4.4086 -4.4086 -4.3400 -4.3400 -3.8640 -3.8640 -3.6814 -3.6814 -3.2673 -3.2673 -3.2222 -3.2222 -2.8942 -2.8942 -2.8381 -2.8381 -2.7532 -2.7532 -2.6117 -2.6117 -2.4759 -2.4759 -1.8501 -1.8501 -1.4315 -1.4315 -1.1905 -1.1905 -0.1710 -0.1710 -0.0949 -0.0949 0.1595 0.1595 0.3390 0.3390 0.4308 0.4308 0.8725 0.8725 1.1187 1.1187 1.4038 1.4038 1.5231 1.5231 1.6692 1.6692 1.8881 1.8881 2.0676 2.0676 2.2227 2.2227 4.5977 4.5977 4.9157 4.9157 5.2313 5.2313 5.5763 5.5763 7.6791 7.6791 7.9279 7.9279 8.2140 8.2140 8.3836 8.3836 k =-0.2308-0.0986 0.1028 ( 12720 PWs) bands (ev): -17.7682 -17.7682 -15.9473 -15.9473 -12.5515 -12.5515 -9.7374 -9.7374 -9.6831 -9.6831 -9.5307 -9.5307 -9.2891 -9.2891 -9.0267 -9.0267 -8.9650 -8.9650 -6.6204 -6.6204 -5.8795 -5.8795 -5.6797 -5.6797 -4.7499 -4.7499 -4.6793 -4.6793 -4.4085 -4.4085 -4.3394 -4.3394 -3.8658 -3.8658 -3.6819 -3.6819 -3.2637 -3.2637 -3.2217 -3.2217 -2.8937 -2.8937 -2.8370 -2.8370 -2.7503 -2.7503 -2.6113 -2.6113 -2.4752 -2.4752 -1.8489 -1.8489 -1.4306 -1.4306 -1.1865 -1.1865 -0.1869 -0.1869 -0.0856 -0.0856 0.1568 0.1568 0.3328 0.3328 0.4171 0.4171 0.8879 0.8879 1.1254 1.1254 1.3895 1.3895 1.5282 1.5282 1.6684 1.6684 1.8973 1.8973 2.0635 2.0635 2.2239 2.2239 4.6008 4.6008 4.9117 4.9117 5.2555 5.2555 5.5748 5.5748 7.6685 7.6685 7.9202 7.9202 8.1907 8.1907 8.3939 8.3939 k =-0.2500-0.1068 0.1113 ( 12718 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5518 -12.5518 -9.7371 -9.7371 -9.6824 -9.6824 -9.5252 -9.5252 -9.2905 -9.2905 -9.0286 -9.0286 -8.9688 -8.9688 -6.6207 -6.6207 -5.8796 -5.8796 -5.6814 -5.6814 -4.7485 -4.7485 -4.6809 -4.6809 -4.4083 -4.4083 -4.3388 -4.3388 -3.8676 -3.8676 -3.6823 -3.6823 -3.2607 -3.2607 -3.2208 -3.2208 -2.8930 -2.8930 -2.8359 -2.8359 -2.7474 -2.7474 -2.6109 -2.6109 -2.4745 -2.4745 -1.8474 -1.8474 -1.4296 -1.4296 -1.1831 -1.1831 -0.2054 -0.2054 -0.0756 -0.0756 0.1529 0.1529 0.3295 0.3295 0.4059 0.4059 0.9024 0.9024 1.1307 1.1307 1.3747 1.3747 1.5343 1.5343 1.6684 1.6684 1.9066 1.9066 2.0596 2.0596 2.2249 2.2249 4.6011 4.6011 4.9123 4.9123 5.2748 5.2748 5.5725 5.5725 7.6606 7.6606 7.9129 7.9129 8.1711 8.1711 8.4057 8.4057 k =-0.2692-0.1151 0.1199 ( 12721 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5521 -12.5521 -9.7372 -9.7372 -9.6819 -9.6819 -9.5187 -9.5187 -9.2920 -9.2920 -9.0308 -9.0308 -8.9726 -8.9726 -6.6210 -6.6210 -5.8797 -5.8797 -5.6832 -5.6832 -4.7470 -4.7470 -4.6825 -4.6825 -4.4082 -4.4082 -4.3383 -4.3383 -3.8693 -3.8693 -3.6824 -3.6824 -3.2585 -3.2585 -3.2194 -3.2194 -2.8922 -2.8922 -2.8349 -2.8349 -2.7446 -2.7446 -2.6104 -2.6104 -2.4739 -2.4739 -1.8456 -1.8456 -1.4288 -1.4288 -1.1803 -1.1803 -0.2237 -0.2237 -0.0688 -0.0688 0.1481 0.1481 0.3289 0.3289 0.3985 0.3985 0.9158 0.9158 1.1348 1.1348 1.3594 1.3594 1.5411 1.5411 1.6692 1.6692 1.9158 1.9158 2.0563 2.0563 2.2257 2.2257 4.5986 4.5986 4.9176 4.9176 5.2889 5.2889 5.5690 5.5690 7.6558 7.6558 7.9060 7.9060 8.1560 8.1560 8.4196 8.4196 k =-0.2885-0.1233 0.1284 ( 12723 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5524 -12.5524 -9.7376 -9.7376 -9.6815 -9.6815 -9.5114 -9.5114 -9.2935 -9.2935 -9.0334 -9.0334 -8.9763 -8.9763 -6.6214 -6.6214 -5.8798 -5.8798 -5.6850 -5.6850 -4.7454 -4.7454 -4.6841 -4.6841 -4.4080 -4.4080 -4.3377 -4.3377 -3.8708 -3.8708 -3.6823 -3.6823 -3.2572 -3.2572 -3.2175 -3.2175 -2.8913 -2.8913 -2.8340 -2.8340 -2.7418 -2.7418 -2.6099 -2.6099 -2.4732 -2.4732 -1.8436 -1.8436 -1.4281 -1.4281 -1.1783 -1.1783 -0.2406 -0.2406 -0.0668 -0.0668 0.1425 0.1425 0.3309 0.3309 0.3958 0.3958 0.9282 0.9282 1.1379 1.1379 1.3436 1.3436 1.5484 1.5484 1.6709 1.6709 1.9245 1.9245 2.0535 2.0535 2.2264 2.2264 4.5938 4.5938 4.9271 4.9271 5.2976 5.2976 5.5641 5.5641 7.6543 7.6543 7.8996 7.8996 8.1458 8.1458 8.4360 8.4360 k =-0.3077-0.1315 0.1370 ( 12727 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5526 -12.5526 -9.7382 -9.7382 -9.6813 -9.6813 -9.5035 -9.5035 -9.2951 -9.2951 -9.0364 -9.0364 -8.9799 -8.9799 -6.6217 -6.6217 -5.8799 -5.8799 -5.6867 -5.6867 -4.7436 -4.7436 -4.6858 -4.6858 -4.4078 -4.4078 -4.3372 -4.3372 -3.8723 -3.8723 -3.6820 -3.6820 -3.2569 -3.2569 -3.2151 -3.2151 -2.8902 -2.8902 -2.8332 -2.8332 -2.7392 -2.7392 -2.6093 -2.6093 -2.4726 -2.4726 -1.8414 -1.8414 -1.4274 -1.4274 -1.1772 -1.1772 -0.2555 -0.2555 -0.0701 -0.0701 0.1360 0.1360 0.3353 0.3353 0.3979 0.3979 0.9399 0.9399 1.1398 1.1398 1.3272 1.3272 1.5557 1.5557 1.6735 1.6735 1.9326 1.9326 2.0514 2.0514 2.2270 2.2270 4.5876 4.5876 4.9400 4.9400 5.3013 5.3013 5.5578 5.5578 7.6562 7.6562 7.8940 7.8940 8.1400 8.1400 8.4556 8.4556 k =-0.3269-0.1397 0.1456 ( 12716 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5529 -12.5529 -9.7390 -9.7390 -9.6812 -9.6812 -9.4950 -9.4950 -9.2968 -9.2968 -9.0396 -9.0396 -8.9833 -8.9833 -6.6221 -6.6221 -5.8799 -5.8799 -5.6883 -5.6883 -4.7417 -4.7417 -4.6874 -4.6874 -4.4077 -4.4077 -4.3367 -4.3367 -3.8736 -3.8736 -3.6815 -3.6815 -3.2573 -3.2573 -3.2122 -3.2122 -2.8890 -2.8890 -2.8325 -2.8325 -2.7367 -2.7367 -2.6087 -2.6087 -2.4721 -2.4721 -1.8389 -1.8389 -1.4269 -1.4269 -1.1768 -1.1768 -0.2681 -0.2681 -0.0783 -0.0783 0.1285 0.1285 0.3421 0.3421 0.4045 0.4045 0.9509 0.9509 1.1406 1.1406 1.3104 1.3104 1.5628 1.5628 1.6770 1.6770 1.9397 1.9397 2.0503 2.0503 2.2274 2.2274 4.5807 4.5807 4.9553 4.9553 5.2999 5.2999 5.5504 5.5504 7.6613 7.6613 7.8890 7.8890 8.1383 8.1383 8.4790 8.4790 k =-0.3462-0.1479 0.1541 ( 12719 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5531 -12.5531 -9.7399 -9.7399 -9.6812 -9.6812 -9.4863 -9.4863 -9.2985 -9.2985 -9.0431 -9.0431 -8.9864 -8.9864 -6.6225 -6.6225 -5.8799 -5.8799 -5.6899 -5.6899 -4.7398 -4.7398 -4.6890 -4.6890 -4.4075 -4.4075 -4.3362 -4.3362 -3.8748 -3.8748 -3.6808 -3.6808 -3.2584 -3.2584 -3.2092 -3.2092 -2.8878 -2.8878 -2.8319 -2.8319 -2.7345 -2.7345 -2.6082 -2.6082 -2.4716 -2.4716 -1.8364 -1.8364 -1.4264 -1.4264 -1.1772 -1.1772 -0.2780 -0.2780 -0.0905 -0.0905 0.1203 0.1203 0.3507 0.3507 0.4146 0.4146 0.9618 0.9618 1.1402 1.1402 1.2932 1.2932 1.5694 1.5694 1.6813 1.6813 1.9457 1.9457 2.0501 2.0501 2.2276 2.2276 4.5741 4.5741 4.9721 4.9721 5.2937 5.2937 5.5425 5.5425 7.6692 7.6692 7.8845 7.8845 8.1399 8.1399 8.5067 8.5067 k =-0.3654-0.1562 0.1627 ( 12717 PWs) bands (ev): -17.7681 -17.7681 -15.9475 -15.9475 -12.5533 -12.5533 -9.7409 -9.7409 -9.6813 -9.6813 -9.4777 -9.4777 -9.3002 -9.3002 -9.0468 -9.0468 -8.9892 -8.9892 -6.6229 -6.6229 -5.8799 -5.8799 -5.6913 -5.6913 -4.7378 -4.7378 -4.6906 -4.6906 -4.4073 -4.4073 -4.3358 -4.3358 -3.8759 -3.8759 -3.6799 -3.6799 -3.2599 -3.2599 -3.2060 -3.2060 -2.8866 -2.8866 -2.8313 -2.8313 -2.7325 -2.7325 -2.6076 -2.6076 -2.4711 -2.4711 -1.8339 -1.8339 -1.4260 -1.4260 -1.1782 -1.1782 -0.2853 -0.2853 -0.1057 -0.1057 0.1118 0.1118 0.3605 0.3605 0.4270 0.4270 0.9727 0.9727 1.1385 1.1385 1.2761 1.2761 1.5753 1.5753 1.6863 1.6863 1.9504 1.9504 2.0510 2.0510 2.2277 2.2277 4.5681 4.5681 4.9899 4.9899 5.2829 5.2829 5.5347 5.5347 7.6796 7.6796 7.8798 7.8798 8.1443 8.1443 8.5383 8.5383 k =-0.3846-0.1644 0.1713 ( 12708 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5535 -12.5535 -9.7419 -9.7419 -9.6814 -9.6814 -9.4692 -9.4692 -9.3019 -9.3019 -9.0505 -9.0505 -8.9917 -8.9917 -6.6232 -6.6232 -5.8799 -5.8799 -5.6926 -5.6926 -4.7358 -4.7358 -4.6921 -4.6921 -4.4072 -4.4072 -4.3354 -4.3354 -3.8769 -3.8769 -3.6790 -3.6790 -3.2617 -3.2617 -3.2029 -3.2029 -2.8855 -2.8855 -2.8309 -2.8309 -2.7307 -2.7307 -2.6071 -2.6071 -2.4707 -2.4707 -1.8313 -1.8313 -1.4257 -1.4257 -1.1796 -1.1796 -0.2897 -0.2897 -0.1227 -0.1227 0.1035 0.1035 0.3707 0.3707 0.4406 0.4406 0.9840 0.9840 1.1353 1.1353 1.2592 1.2592 1.5803 1.5803 1.6916 1.6916 1.9539 1.9539 2.0527 2.0527 2.2277 2.2277 4.5633 4.5633 5.0081 5.0081 5.2682 5.2682 5.5276 5.5276 7.6921 7.6921 7.8743 7.8743 8.1508 8.1508 8.5720 8.5720 k =-0.4038-0.1726 0.1798 ( 12708 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5537 -12.5537 -9.7429 -9.7429 -9.6815 -9.6815 -9.4613 -9.4613 -9.3035 -9.3035 -9.0540 -9.0540 -8.9938 -8.9938 -6.6235 -6.6235 -5.8799 -5.8799 -5.6937 -5.6937 -4.7340 -4.7340 -4.6936 -4.6936 -4.4071 -4.4071 -4.3351 -4.3351 -3.8777 -3.8777 -3.6781 -3.6781 -3.2636 -3.2636 -3.2001 -3.2001 -2.8844 -2.8844 -2.8305 -2.8305 -2.7291 -2.7291 -2.6067 -2.6067 -2.4704 -2.4704 -1.8290 -1.8290 -1.4255 -1.4255 -1.1814 -1.1814 -0.2916 -0.2916 -0.1406 -0.1406 0.0959 0.0959 0.3805 0.3805 0.4542 0.4542 0.9961 0.9961 1.1304 1.1304 1.2434 1.2434 1.5844 1.5844 1.6969 1.6969 1.9562 1.9562 2.0550 2.0550 2.2276 2.2276 4.5596 4.5596 5.0265 5.0265 5.2501 5.2501 5.5216 5.5216 7.7061 7.7061 7.8676 7.8676 8.1590 8.1590 8.6019 8.6019 k =-0.4231-0.1808 0.1884 ( 12706 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5538 -12.5538 -9.7437 -9.7437 -9.6816 -9.6816 -9.4543 -9.4543 -9.3051 -9.3051 -9.0571 -9.0571 -8.9955 -8.9955 -6.6238 -6.6238 -5.8799 -5.8799 -5.6946 -5.6946 -4.7322 -4.7322 -4.6949 -4.6949 -4.4070 -4.4070 -4.3348 -4.3348 -3.8783 -3.8783 -3.6773 -3.6773 -3.2655 -3.2655 -3.1976 -3.1976 -2.8834 -2.8834 -2.8302 -2.8302 -2.7279 -2.7279 -2.6062 -2.6062 -2.4701 -2.4701 -1.8269 -1.8269 -1.4253 -1.4253 -1.1832 -1.1832 -0.2910 -0.2910 -0.1584 -0.1584 0.0893 0.0893 0.3894 0.3894 0.4668 0.4668 1.0090 1.0090 1.1233 1.1233 1.2294 1.2294 1.5877 1.5877 1.7019 1.7019 1.9576 1.9576 2.0575 2.0575 2.2274 2.2274 4.5570 4.5570 5.0449 5.0449 5.2297 5.2297 5.5170 5.5170 7.7212 7.7212 7.8592 7.8592 8.1679 8.1679 8.6194 8.6194 k =-0.4423-0.1890 0.1969 ( 12699 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5539 -12.5539 -9.7444 -9.7444 -9.6817 -9.6817 -9.4484 -9.4484 -9.3064 -9.3064 -9.0598 -9.0598 -8.9968 -8.9968 -6.6241 -6.6241 -5.8799 -5.8799 -5.6954 -5.6954 -4.7308 -4.7308 -4.6960 -4.6960 -4.4069 -4.4069 -4.3346 -4.3346 -3.8788 -3.8788 -3.6765 -3.6765 -3.2671 -3.2671 -3.1956 -3.1956 -2.8826 -2.8826 -2.8300 -2.8300 -2.7269 -2.7269 -2.6059 -2.6059 -2.4699 -2.4699 -1.8251 -1.8251 -1.4252 -1.4252 -1.1849 -1.1849 -0.2884 -0.2884 -0.1749 -0.1749 0.0839 0.0839 0.3969 0.3969 0.4775 0.4775 1.0228 1.0228 1.1139 1.1139 1.2179 1.2179 1.5902 1.5902 1.7063 1.7063 1.9583 1.9583 2.0600 2.0600 2.2272 2.2272 4.5554 4.5554 5.0632 5.0632 5.2083 5.2083 5.5136 5.5136 7.7366 7.7366 7.8493 7.8493 8.1767 8.1767 8.6244 8.6244 k =-0.4615-0.1972 0.2055 ( 12695 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5540 -12.5540 -9.7449 -9.7449 -9.6818 -9.6818 -9.4440 -9.4440 -9.3075 -9.3075 -9.0618 -9.0618 -8.9978 -8.9978 -6.6242 -6.6242 -5.8798 -5.8798 -5.6959 -5.6959 -4.7296 -4.7296 -4.6969 -4.6969 -4.4068 -4.4068 -4.3345 -4.3345 -3.8792 -3.8792 -3.6759 -3.6759 -3.2683 -3.2683 -3.1941 -3.1941 -2.8820 -2.8820 -2.8298 -2.8298 -2.7262 -2.7262 -2.6057 -2.6057 -2.4698 -2.4698 -1.8238 -1.8238 -1.4251 -1.4251 -1.1862 -1.1862 -0.2846 -0.2846 -0.1889 -0.1889 0.0800 0.0800 0.4026 0.4026 0.4856 0.4856 1.0373 1.0373 1.1023 1.1023 1.2095 1.2095 1.5919 1.5919 1.7096 1.7096 1.9586 1.9586 2.0619 2.0619 2.2271 2.2271 4.5545 4.5545 5.0810 5.0810 5.1873 5.1873 5.5113 5.5113 7.7514 7.7514 7.8386 7.8386 8.1841 8.1841 8.6237 8.6237 k =-0.4808-0.2055 0.2141 ( 12692 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5541 -12.5541 -9.7453 -9.7453 -9.6819 -9.6819 -9.4412 -9.4412 -9.3082 -9.3082 -9.0631 -9.0631 -8.9983 -8.9983 -6.6243 -6.6243 -5.8798 -5.8798 -5.6962 -5.6962 -4.7289 -4.7289 -4.6975 -4.6975 -4.4068 -4.4068 -4.3344 -4.3344 -3.8794 -3.8794 -3.6755 -3.6755 -3.2691 -3.2691 -3.1931 -3.1931 -2.8816 -2.8816 -2.8297 -2.8297 -2.7258 -2.7258 -2.6055 -2.6055 -2.4697 -2.4697 -1.8230 -1.8230 -1.4251 -1.4251 -1.1871 -1.1871 -0.2811 -0.2811 -0.1987 -0.1987 0.0776 0.0776 0.4061 0.4061 0.4906 0.4906 1.0514 1.0514 1.0897 1.0897 1.2046 1.2046 1.5929 1.5929 1.7117 1.7117 1.9588 1.9588 2.0632 2.0632 2.2269 2.2269 4.5541 4.5541 5.0965 5.0965 5.1696 5.1696 5.5101 5.5101 7.7635 7.7635 7.8290 7.8290 8.1891 8.1891 8.6220 8.6220 k =-0.5000-0.2137 0.2226 ( 12692 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5541 -12.5541 -9.7454 -9.7454 -9.6819 -9.6819 -9.4403 -9.4403 -9.3085 -9.3085 -9.0635 -9.0635 -8.9985 -8.9985 -6.6244 -6.6244 -5.8798 -5.8798 -5.6964 -5.6964 -4.7286 -4.7286 -4.6977 -4.6977 -4.4068 -4.4068 -4.3343 -4.3343 -3.8795 -3.8795 -3.6754 -3.6754 -3.2694 -3.2694 -3.1928 -3.1928 -2.8815 -2.8815 -2.8297 -2.8297 -2.7256 -2.7256 -2.6055 -2.6055 -2.4696 -2.4696 -1.8227 -1.8227 -1.4250 -1.4250 -1.1874 -1.1874 -0.2796 -0.2796 -0.2023 -0.2023 0.0769 0.0769 0.4073 0.4073 0.4923 0.4923 1.0597 1.0597 1.0818 1.0818 1.2029 1.2029 1.5933 1.5933 1.7124 1.7124 1.9588 1.9588 2.0637 2.0637 2.2269 2.2269 4.5539 4.5539 5.1037 5.1037 5.1615 5.1615 5.5097 5.5097 7.7686 7.7686 7.8247 7.8247 8.1909 8.1909 8.6213 8.6213 k =-0.5000-0.7569 0.0736 ( 12664 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5503 -12.5503 -9.7507 -9.7507 -9.6754 -9.6754 -9.4040 -9.4040 -9.3450 -9.3450 -9.0513 -9.0513 -9.0123 -9.0123 -6.6317 -6.6317 -5.8808 -5.8808 -5.6701 -5.6701 -4.7139 -4.7139 -4.7032 -4.7032 -4.4319 -4.4319 -4.3604 -4.3604 -3.8588 -3.8588 -3.6560 -3.6560 -3.2725 -3.2725 -3.2134 -3.2134 -2.9066 -2.9066 -2.8426 -2.8426 -2.7609 -2.7609 -2.6146 -2.6146 -2.5112 -2.5112 -2.0847 -2.0847 -1.4624 -1.4624 -1.3325 -1.3325 0.0218 0.0218 0.0738 0.0738 0.2013 0.2013 0.2685 0.2685 0.6088 0.6088 1.0212 1.0212 1.2396 1.2396 1.4745 1.4745 1.5468 1.5468 1.8014 1.8014 1.8097 1.8097 2.2152 2.2152 2.3133 2.3133 4.5652 4.5652 5.1620 5.1620 5.5139 5.5139 5.6426 5.6426 6.6689 6.6689 6.7439 6.7439 7.8891 7.8891 8.0694 8.0694 k =-0.4878-0.7384 0.0718 ( 12664 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5503 -12.5503 -9.7507 -9.7507 -9.6754 -9.6754 -9.4039 -9.4039 -9.3451 -9.3451 -9.0511 -9.0511 -9.0124 -9.0124 -6.6317 -6.6317 -5.8808 -5.8808 -5.6702 -5.6702 -4.7139 -4.7139 -4.7032 -4.7032 -4.4319 -4.4319 -4.3603 -4.3603 -3.8589 -3.8589 -3.6561 -3.6561 -3.2724 -3.2724 -3.2135 -3.2135 -2.9066 -2.9066 -2.8425 -2.8425 -2.7607 -2.7607 -2.6145 -2.6145 -2.5111 -2.5111 -2.0843 -2.0843 -1.4625 -1.4625 -1.3324 -1.3324 0.0185 0.0185 0.0752 0.0752 0.1996 0.1996 0.2715 0.2715 0.6102 0.6102 1.0189 1.0189 1.2411 1.2411 1.4745 1.4745 1.5470 1.5470 1.7922 1.7922 1.8190 1.8190 2.2145 2.2145 2.3126 2.3126 4.5639 4.5639 5.1631 5.1631 5.5127 5.5127 5.6422 5.6422 6.6657 6.6657 6.7513 6.7513 7.8881 7.8881 8.0699 8.0699 k =-0.4756-0.7200 0.0700 ( 12681 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5504 -12.5504 -9.7505 -9.7505 -9.6756 -9.6756 -9.4035 -9.4035 -9.3456 -9.3456 -9.0504 -9.0504 -9.0127 -9.0127 -6.6317 -6.6317 -5.8807 -5.8807 -5.6706 -5.6706 -4.7142 -4.7142 -4.7032 -4.7032 -4.4318 -4.4318 -4.3600 -4.3600 -3.8591 -3.8591 -3.6566 -3.6566 -3.2720 -3.2720 -3.2138 -3.2138 -2.9067 -2.9067 -2.8422 -2.8422 -2.7600 -2.7600 -2.6144 -2.6144 -2.5108 -2.5108 -2.0831 -2.0831 -1.4627 -1.4627 -1.3324 -1.3324 0.0103 0.0103 0.0772 0.0772 0.1963 0.1963 0.2792 0.2792 0.6142 0.6142 1.0124 1.0124 1.2451 1.2451 1.4744 1.4744 1.5476 1.5476 1.7802 1.7802 1.8314 1.8314 2.2122 2.2122 2.3103 2.3103 4.5601 4.5601 5.1663 5.1663 5.5093 5.5093 5.6410 5.6410 6.6589 6.6589 6.7702 6.7702 7.8852 7.8852 8.0710 8.0710 k =-0.4634-0.7015 0.0683 ( 12673 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5505 -12.5505 -9.7501 -9.7501 -9.6760 -9.6760 -9.4029 -9.4029 -9.3465 -9.3465 -9.0493 -9.0493 -9.0132 -9.0132 -6.6317 -6.6317 -5.8807 -5.8807 -5.6712 -5.6712 -4.7145 -4.7145 -4.7033 -4.7033 -4.4317 -4.4317 -4.3596 -4.3596 -3.8595 -3.8595 -3.6574 -3.6574 -3.2713 -3.2713 -3.2143 -3.2143 -2.9068 -2.9068 -2.8417 -2.8417 -2.7590 -2.7590 -2.6141 -2.6141 -2.5102 -2.5102 -2.0811 -2.0811 -1.4631 -1.4631 -1.3322 -1.3322 0.0000 0.0000 0.0757 0.0757 0.1951 0.1951 0.2892 0.2892 0.6209 0.6209 1.0023 1.0023 1.2510 1.2510 1.4743 1.4743 1.5482 1.5482 1.7686 1.7686 1.8437 1.8437 2.2084 2.2084 2.3069 2.3069 4.5538 4.5538 5.1717 5.1717 5.5036 5.5036 5.6391 5.6391 6.6526 6.6526 6.7965 6.7965 7.8807 7.8807 8.0729 8.0729 k =-0.4512-0.6830 0.0665 ( 12678 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5506 -12.5506 -9.7497 -9.7497 -9.6764 -9.6764 -9.4021 -9.4021 -9.3477 -9.3477 -9.0478 -9.0478 -9.0138 -9.0138 -6.6317 -6.6317 -5.8806 -5.8806 -5.6721 -5.6721 -4.7150 -4.7150 -4.7034 -4.7034 -4.4315 -4.4315 -4.3591 -4.3591 -3.8600 -3.8600 -3.6585 -3.6585 -3.2704 -3.2704 -3.2151 -3.2151 -2.9070 -2.9070 -2.8412 -2.8412 -2.7576 -2.7576 -2.6138 -2.6138 -2.5095 -2.5095 -2.0784 -2.0784 -1.4636 -1.4636 -1.3321 -1.3321 -0.0107 -0.0107 0.0688 0.0688 0.1980 0.1980 0.2997 0.2997 0.6301 0.6301 0.9897 0.9897 1.2578 1.2578 1.4742 1.4742 1.5486 1.5486 1.7579 1.7579 1.8557 1.8557 2.2028 2.2028 2.3026 2.3026 4.5452 4.5452 5.1793 5.1793 5.4956 5.4956 5.6363 5.6363 6.6490 6.6490 6.8279 6.8279 7.8749 7.8749 8.0751 8.0751 k =-0.4390-0.6646 0.0647 ( 12680 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5508 -12.5508 -9.7491 -9.7491 -9.6770 -9.6770 -9.4010 -9.4010 -9.3493 -9.3493 -9.0458 -9.0458 -9.0146 -9.0146 -6.6317 -6.6317 -5.8806 -5.8806 -5.6731 -5.6731 -4.7156 -4.7156 -4.7036 -4.7036 -4.4313 -4.4313 -4.3584 -4.3584 -3.8607 -3.8607 -3.6598 -3.6598 -3.2693 -3.2693 -3.2159 -3.2159 -2.9071 -2.9071 -2.8405 -2.8405 -2.7558 -2.7558 -2.6134 -2.6134 -2.5086 -2.5086 -2.0749 -2.0749 -1.4641 -1.4641 -1.3318 -1.3318 -0.0212 -0.0212 0.0569 0.0569 0.2046 0.2046 0.3099 0.3099 0.6416 0.6416 0.9755 0.9755 1.2646 1.2646 1.4741 1.4741 1.5485 1.5485 1.7486 1.7486 1.8671 1.8671 2.1954 2.1954 2.2978 2.2978 4.5347 4.5347 5.1891 5.1891 5.4854 5.4854 5.6327 5.6327 6.6488 6.6488 6.8633 6.8633 7.8683 7.8683 8.0776 8.0776 k =-0.4268-0.6461 0.0629 ( 12689 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5510 -12.5510 -9.7484 -9.7484 -9.6777 -9.6777 -9.3997 -9.3997 -9.3513 -9.3513 -9.0435 -9.0435 -9.0154 -9.0154 -6.6316 -6.6316 -5.8805 -5.8805 -5.6743 -5.6743 -4.7163 -4.7163 -4.7038 -4.7038 -4.4310 -4.4310 -4.3576 -4.3576 -3.8616 -3.8616 -3.6612 -3.6612 -3.2680 -3.2680 -3.2169 -3.2169 -2.9073 -2.9073 -2.8397 -2.8397 -2.7537 -2.7537 -2.6128 -2.6128 -2.5075 -2.5075 -2.0707 -2.0707 -1.4645 -1.4645 -1.3315 -1.3315 -0.0311 -0.0311 0.0419 0.0419 0.2131 0.2131 0.3195 0.3195 0.6553 0.6553 0.9604 0.9604 1.2707 1.2707 1.4737 1.4737 1.5477 1.5477 1.7410 1.7410 1.8778 1.8778 2.1861 2.1861 2.2929 2.2929 4.5225 4.5225 5.2011 5.2011 5.4729 5.4729 5.6283 5.6283 6.6523 6.6523 6.9020 6.9020 7.8614 7.8614 8.0802 8.0802 k =-0.4146-0.6277 0.0611 ( 12685 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5512 -12.5512 -9.7476 -9.7476 -9.6784 -9.6784 -9.3983 -9.3983 -9.3538 -9.3538 -9.0409 -9.0409 -9.0161 -9.0161 -6.6315 -6.6315 -5.8804 -5.8804 -5.6757 -5.6757 -4.7170 -4.7170 -4.7042 -4.7042 -4.4307 -4.4307 -4.3567 -4.3567 -3.8627 -3.8627 -3.6628 -3.6628 -3.2666 -3.2666 -3.2180 -3.2180 -2.9073 -2.9073 -2.8388 -2.8388 -2.7514 -2.7514 -2.6123 -2.6123 -2.5062 -2.5062 -2.0660 -2.0660 -1.4649 -1.4649 -1.3310 -1.3310 -0.0408 -0.0408 0.0259 0.0259 0.2220 0.2220 0.3284 0.3284 0.6708 0.6708 0.9452 0.9452 1.2756 1.2756 1.4725 1.4725 1.5462 1.5462 1.7354 1.7354 1.8877 1.8877 2.1751 2.1751 2.2882 2.2882 4.5090 4.5090 5.2151 5.2151 5.4583 5.4583 5.6231 5.6231 6.6596 6.6596 6.9436 6.9436 7.8546 7.8546 8.0827 8.0827 k =-0.4024-0.6092 0.0593 ( 12685 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5514 -12.5514 -9.7468 -9.7468 -9.6791 -9.6791 -9.3967 -9.3967 -9.3568 -9.3568 -9.0380 -9.0380 -9.0168 -9.0168 -6.6314 -6.6314 -5.8803 -5.8803 -5.6771 -5.6771 -4.7178 -4.7178 -4.7045 -4.7045 -4.4303 -4.4303 -4.3557 -4.3557 -3.8639 -3.8639 -3.6645 -3.6645 -3.2652 -3.2652 -3.2192 -3.2192 -2.9074 -2.9074 -2.8379 -2.8379 -2.7490 -2.7490 -2.6116 -2.6116 -2.5047 -2.5047 -2.0607 -2.0607 -1.4650 -1.4650 -1.3304 -1.3304 -0.0509 -0.0509 0.0110 0.0110 0.2300 0.2300 0.3362 0.3362 0.6877 0.6877 0.9305 0.9305 1.2789 1.2789 1.4695 1.4695 1.5445 1.5445 1.7318 1.7318 1.8967 1.8967 2.1627 2.1627 2.2837 2.2837 4.4949 4.4949 5.2309 5.2309 5.4416 5.4416 5.6173 5.6173 6.6707 6.6707 6.9876 6.9876 7.8483 7.8483 8.0852 8.0852 k =-0.3902-0.5907 0.0575 ( 12685 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5517 -12.5517 -9.7458 -9.7458 -9.6799 -9.6799 -9.3952 -9.3952 -9.3601 -9.3601 -9.0349 -9.0349 -9.0173 -9.0173 -6.6312 -6.6312 -5.8803 -5.8803 -5.6787 -5.6787 -4.7187 -4.7187 -4.7049 -4.7049 -4.4299 -4.4299 -4.3546 -4.3546 -3.8653 -3.8653 -3.6662 -3.6662 -3.2637 -3.2637 -3.2204 -3.2204 -2.9073 -2.9073 -2.8371 -2.8371 -2.7464 -2.7464 -2.6110 -2.6110 -2.5032 -2.5032 -2.0549 -2.0549 -1.4649 -1.4649 -1.3297 -1.3297 -0.0627 -0.0627 -0.0010 -0.0010 0.2366 0.2366 0.3430 0.3430 0.7054 0.7054 0.9170 0.9170 1.2805 1.2805 1.4641 1.4641 1.5433 1.5433 1.7303 1.7303 1.9047 1.9047 2.1493 2.1493 2.2795 2.2795 4.4806 4.4806 5.2482 5.2482 5.4230 5.4230 5.6108 5.6108 6.6854 6.6854 7.0336 7.0336 7.8429 7.8429 8.0877 8.0877 k =-0.3780-0.5723 0.0557 ( 12682 PWs) bands (ev): -17.7680 -17.7680 -15.9474 -15.9474 -12.5519 -12.5519 -9.7447 -9.7447 -9.6806 -9.6806 -9.3938 -9.3938 -9.3637 -9.3637 -9.0316 -9.0316 -9.0175 -9.0175 -6.6309 -6.6309 -5.8802 -5.8802 -5.6803 -5.6803 -4.7197 -4.7197 -4.7053 -4.7053 -4.4294 -4.4294 -4.3535 -4.3535 -3.8668 -3.8668 -3.6679 -3.6679 -3.2624 -3.2624 -3.2216 -3.2216 -2.9071 -2.9071 -2.8362 -2.8362 -2.7438 -2.7438 -2.6103 -2.6103 -2.5015 -2.5015 -2.0487 -2.0487 -1.4644 -1.4644 -1.3287 -1.3287 -0.0767 -0.0767 -0.0086 -0.0086 0.2416 0.2416 0.3483 0.3483 0.7230 0.7230 0.9053 0.9053 1.2803 1.2803 1.4558 1.4558 1.5431 1.5431 1.7305 1.7305 1.9116 1.9116 2.1353 2.1353 2.2755 2.2755 4.4667 4.4667 5.2665 5.2665 5.4025 5.4025 5.6037 5.6037 6.7036 6.7036 7.0811 7.0811 7.8388 7.8388 8.0901 8.0901 k =-0.3659-0.5538 0.0539 ( 12688 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5522 -12.5522 -9.7436 -9.7436 -9.6813 -9.6813 -9.3931 -9.3931 -9.3671 -9.3671 -9.0284 -9.0284 -9.0174 -9.0174 -6.6306 -6.6306 -5.8801 -5.8801 -5.6819 -5.6819 -4.7208 -4.7208 -4.7057 -4.7057 -4.4288 -4.4288 -4.3523 -4.3523 -3.8685 -3.8685 -3.6696 -3.6696 -3.2611 -3.2611 -3.2228 -3.2228 -2.9069 -2.9069 -2.8354 -2.8354 -2.7412 -2.7412 -2.6096 -2.6096 -2.4998 -2.4998 -2.0421 -2.0421 -1.4634 -1.4634 -1.3275 -1.3275 -0.0928 -0.0928 -0.0119 -0.0119 0.2451 0.2451 0.3520 0.3520 0.7391 0.7391 0.8966 0.8966 1.2785 1.2785 1.4447 1.4447 1.5439 1.5439 1.7321 1.7321 1.9175 1.9175 2.1210 2.1210 2.2716 2.2716 4.4540 4.4540 5.2852 5.2852 5.3806 5.3806 5.5962 5.5962 6.7252 6.7252 7.1296 7.1296 7.8363 7.8363 8.0925 8.0925 k =-0.3537-0.5354 0.0521 ( 12689 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5525 -12.5525 -9.7424 -9.7424 -9.6820 -9.6820 -9.3937 -9.3937 -9.3696 -9.3696 -9.0254 -9.0254 -9.0165 -9.0165 -6.6303 -6.6303 -5.8801 -5.8801 -5.6835 -5.6835 -4.7220 -4.7220 -4.7060 -4.7060 -4.4282 -4.4282 -4.3512 -4.3512 -3.8702 -3.8702 -3.6712 -3.6712 -3.2599 -3.2599 -3.2239 -3.2239 -2.9066 -2.9066 -2.8347 -2.8347 -2.7387 -2.7387 -2.6090 -2.6090 -2.4980 -2.4980 -2.0353 -2.0353 -1.4621 -1.4621 -1.3260 -1.3260 -0.1099 -0.1099 -0.0116 -0.0116 0.2472 0.2472 0.3539 0.3539 0.7514 0.7514 0.8925 0.8925 1.2750 1.2750 1.4317 1.4317 1.5452 1.5452 1.7345 1.7345 1.9223 1.9223 2.1069 2.1069 2.2678 2.2678 4.4428 4.4428 5.3029 5.3029 5.3582 5.3582 5.5884 5.5884 6.7501 6.7501 7.1788 7.1788 7.8356 7.8356 8.0951 8.0951 k =-0.3415-0.5169 0.0503 ( 12697 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5527 -12.5527 -9.7411 -9.7411 -9.6827 -9.6827 -9.3966 -9.3966 -9.3704 -9.3704 -9.0231 -9.0231 -9.0147 -9.0147 -6.6298 -6.6298 -5.8801 -5.8801 -5.6850 -5.6850 -4.7233 -4.7233 -4.7062 -4.7062 -4.4275 -4.4275 -4.3500 -4.3500 -3.8720 -3.8720 -3.6727 -3.6727 -3.2590 -3.2590 -3.2249 -3.2249 -2.9062 -2.9062 -2.8340 -2.8340 -2.7364 -2.7364 -2.6084 -2.6084 -2.4961 -2.4961 -2.0283 -2.0283 -1.4602 -1.4602 -1.3241 -1.3241 -0.1272 -0.1272 -0.0085 -0.0085 0.2481 0.2481 0.3538 0.3538 0.7578 0.7578 0.8947 0.8947 1.2700 1.2700 1.4176 1.4176 1.5467 1.5467 1.7373 1.7373 1.9262 1.9262 2.0930 2.0930 2.2639 2.2639 4.4337 4.4337 5.3123 5.3123 5.3424 5.3424 5.5804 5.5804 6.7780 6.7780 7.2281 7.2281 7.8371 7.8371 8.0980 8.0980 k =-0.3293-0.4984 0.0485 ( 12698 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5529 -12.5529 -9.7398 -9.7398 -9.6832 -9.6832 -9.4016 -9.4016 -9.3695 -9.3695 -9.0214 -9.0214 -9.0119 -9.0119 -6.6293 -6.6293 -5.8801 -5.8801 -5.6864 -5.6864 -4.7248 -4.7248 -4.7063 -4.7063 -4.4268 -4.4268 -4.3489 -4.3489 -3.8738 -3.8738 -3.6740 -3.6740 -3.2582 -3.2582 -3.2259 -3.2259 -2.9058 -2.9058 -2.8334 -2.8334 -2.7342 -2.7342 -2.6078 -2.6078 -2.4943 -2.4943 -2.0211 -2.0211 -1.4579 -1.4579 -1.3218 -1.3218 -0.1438 -0.1438 -0.0031 -0.0031 0.2481 0.2481 0.3519 0.3519 0.7570 0.7570 0.9038 0.9038 1.2637 1.2637 1.4033 1.4033 1.5479 1.5479 1.7402 1.7402 1.9293 1.9293 2.0797 2.0797 2.2600 2.2600 4.4272 4.4272 5.2962 5.2962 5.3501 5.3501 5.5725 5.5725 6.8088 6.8088 7.2771 7.2771 7.8408 7.8408 8.1013 8.1013 k =-0.3171-0.4800 0.0467 ( 12703 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5531 -12.5531 -9.7385 -9.7385 -9.6837 -9.6837 -9.4084 -9.4084 -9.3672 -9.3672 -9.0202 -9.0202 -9.0083 -9.0083 -6.6288 -6.6288 -5.8801 -5.8801 -5.6876 -5.6876 -4.7264 -4.7264 -4.7061 -4.7061 -4.4260 -4.4260 -4.3478 -4.3478 -3.8755 -3.8755 -3.6752 -3.6752 -3.2578 -3.2578 -3.2267 -3.2267 -2.9054 -2.9054 -2.8329 -2.8329 -2.7323 -2.7323 -2.6074 -2.6074 -2.4925 -2.4925 -2.0138 -2.0138 -1.4553 -1.4553 -1.3191 -1.3191 -0.1595 -0.1595 0.0040 0.0040 0.2474 0.2474 0.3483 0.3483 0.7495 0.7495 0.9181 0.9181 1.2565 1.2565 1.3896 1.3896 1.5485 1.5485 1.7428 1.7428 1.9316 1.9316 2.0670 2.0670 2.2561 2.2561 4.4235 4.4235 5.2701 5.2701 5.3652 5.3652 5.5647 5.5647 6.8424 6.8424 7.3254 7.3254 7.8469 7.8469 8.1050 8.1050 k =-0.3049-0.4615 0.0449 ( 12697 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5533 -12.5533 -9.7372 -9.7372 -9.6842 -9.6842 -9.4163 -9.4163 -9.3642 -9.3642 -9.0191 -9.0191 -9.0045 -9.0045 -6.6282 -6.6282 -5.8801 -5.8801 -5.6886 -5.6886 -4.7282 -4.7282 -4.7058 -4.7058 -4.4252 -4.4252 -4.3467 -4.3467 -3.8772 -3.8772 -3.6763 -3.6763 -3.2575 -3.2575 -3.2275 -3.2275 -2.9049 -2.9049 -2.8325 -2.8325 -2.7307 -2.7307 -2.6070 -2.6070 -2.4907 -2.4907 -2.0065 -2.0065 -1.4524 -1.4524 -1.3158 -1.3158 -0.1738 -0.1738 0.0123 0.0123 0.2461 0.2461 0.3434 0.3434 0.7370 0.7370 0.9354 0.9354 1.2489 1.2489 1.3767 1.3767 1.5481 1.5481 1.7449 1.7449 1.9331 1.9331 2.0551 2.0551 2.2521 2.2521 4.4228 4.4228 5.2419 5.2419 5.3796 5.3796 5.5574 5.5574 6.8784 6.8784 7.3725 7.3725 7.8555 7.8555 8.1095 8.1095 k =-0.2927-0.4431 0.0431 ( 12689 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5534 -12.5534 -9.7359 -9.7359 -9.6845 -9.6845 -9.4250 -9.4250 -9.3606 -9.3606 -9.0180 -9.0180 -9.0005 -9.0005 -6.6275 -6.6275 -5.8801 -5.8801 -5.6895 -5.6895 -4.7301 -4.7301 -4.7052 -4.7052 -4.4244 -4.4244 -4.3457 -4.3457 -3.8786 -3.8786 -3.6772 -3.6772 -3.2576 -3.2576 -3.2281 -3.2281 -2.9044 -2.9044 -2.8321 -2.8321 -2.7294 -2.7294 -2.6067 -2.6067 -2.4890 -2.4890 -1.9991 -1.9991 -1.4493 -1.4493 -1.3120 -1.3120 -0.1864 -0.1864 0.0213 0.0213 0.2442 0.2442 0.3377 0.3377 0.7209 0.7209 0.9534 0.9534 1.2418 1.2418 1.3650 1.3650 1.5468 1.5468 1.7464 1.7464 1.9339 1.9339 2.0443 2.0443 2.2480 2.2480 4.4252 4.4252 5.2127 5.2127 5.3917 5.3917 5.5509 5.5509 6.9167 6.9167 7.4180 7.4180 7.8665 7.8665 8.1149 8.1149 k =-0.2805-0.4246 0.0413 ( 12695 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5535 -12.5535 -9.7346 -9.7346 -9.6848 -9.6848 -9.4342 -9.4342 -9.3567 -9.3567 -9.0168 -9.0168 -8.9965 -8.9965 -6.6268 -6.6268 -5.8801 -5.8801 -5.6901 -5.6901 -4.7321 -4.7321 -4.7044 -4.7044 -4.4235 -4.4235 -4.3448 -4.3448 -3.8799 -3.8799 -3.6780 -3.6780 -3.2579 -3.2579 -3.2286 -3.2286 -2.9040 -2.9040 -2.8319 -2.8319 -2.7284 -2.7284 -2.6065 -2.6065 -2.4874 -2.4874 -1.9917 -1.9917 -1.4462 -1.4462 -1.3076 -1.3076 -0.1972 -0.1972 0.0306 0.0306 0.2416 0.2416 0.3318 0.3318 0.7020 0.7020 0.9704 0.9704 1.2358 1.2358 1.3544 1.3544 1.5445 1.5445 1.7470 1.7470 1.9336 1.9336 2.0349 2.0349 2.2441 2.2441 4.4306 4.4306 5.1831 5.1831 5.4005 5.4005 5.5455 5.5455 6.9570 6.9570 7.4616 7.4616 7.8797 7.8797 8.1214 8.1214 k =-0.2683-0.4061 0.0395 ( 12702 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5536 -12.5536 -9.7335 -9.7335 -9.6850 -9.6850 -9.4439 -9.4439 -9.3525 -9.3525 -9.0157 -9.0157 -8.9924 -8.9924 -6.6261 -6.6261 -5.8801 -5.8801 -5.6905 -5.6905 -4.7341 -4.7341 -4.7034 -4.7034 -4.4226 -4.4226 -4.3440 -4.3440 -3.8809 -3.8809 -3.6786 -3.6786 -3.2586 -3.2586 -3.2290 -3.2290 -2.9036 -2.9036 -2.8318 -2.8318 -2.7279 -2.7279 -2.6064 -2.6064 -2.4859 -2.4859 -1.9843 -1.9843 -1.4432 -1.4432 -1.3027 -1.3027 -0.2060 -0.2060 0.0395 0.0395 0.2381 0.2381 0.3265 0.3265 0.6813 0.6813 0.9850 0.9850 1.2316 1.2316 1.3450 1.3450 1.5410 1.5410 1.7468 1.7468 1.9319 1.9319 2.0275 2.0275 2.2401 2.2401 4.4390 4.4390 5.1535 5.1535 5.4053 5.4053 5.5416 5.5416 6.9989 6.9989 7.5033 7.5033 7.8948 7.8948 8.1291 8.1291 k =-0.2561-0.3877 0.0377 ( 12704 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5536 -12.5536 -9.7323 -9.7323 -9.6852 -9.6852 -9.4537 -9.4537 -9.3482 -9.3482 -9.0146 -9.0146 -8.9884 -8.9884 -6.6254 -6.6254 -5.8801 -5.8801 -5.6906 -5.6906 -4.7361 -4.7361 -4.7022 -4.7022 -4.4218 -4.4218 -4.3433 -4.3433 -3.8816 -3.8816 -3.6791 -3.6791 -3.2595 -3.2595 -3.2293 -3.2293 -2.9032 -2.9032 -2.8318 -2.8318 -2.7278 -2.7278 -2.6065 -2.6065 -2.4845 -2.4845 -1.9768 -1.9768 -1.4404 -1.4404 -1.2972 -1.2972 -0.2126 -0.2126 0.0470 0.0470 0.2336 0.2336 0.3227 0.3227 0.6595 0.6595 0.9962 0.9962 1.2296 1.2296 1.3367 1.3367 1.5367 1.5367 1.7457 1.7457 1.9285 1.9285 2.0225 2.0225 2.2363 2.2363 4.4500 4.4500 5.1243 5.1243 5.4056 5.4056 5.5394 5.5394 7.0421 7.0421 7.5429 7.5429 7.9117 7.9117 8.1384 8.1384 k =-0.2439-0.3692 0.0359 ( 12706 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5536 -12.5536 -9.7314 -9.7314 -9.6853 -9.6853 -9.4635 -9.4635 -9.3437 -9.3437 -9.0136 -9.0136 -8.9845 -8.9845 -6.6247 -6.6247 -5.8801 -5.8801 -5.6904 -5.6904 -4.7382 -4.7382 -4.7008 -4.7008 -4.4208 -4.4208 -4.3427 -4.3427 -3.8820 -3.8820 -3.6794 -3.6794 -3.2607 -3.2607 -3.2296 -3.2296 -2.9029 -2.9029 -2.8319 -2.8319 -2.7281 -2.7281 -2.6066 -2.6066 -2.4833 -2.4833 -1.9693 -1.9693 -1.4379 -1.4379 -1.2913 -1.2913 -0.2169 -0.2169 0.0524 0.0524 0.2281 0.2281 0.3210 0.3210 0.6373 0.6373 1.0033 1.0033 1.2295 1.2295 1.3302 1.3302 1.5316 1.5316 1.7438 1.7438 1.9232 1.9232 2.0202 2.0202 2.2327 2.2327 4.4633 4.4633 5.0959 5.0959 5.4010 5.4010 5.5390 5.5390 7.0862 7.0862 7.5805 7.5805 7.9299 7.9299 8.1495 8.1495 k =-0.2317-0.3508 0.0341 ( 12703 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5535 -12.5535 -9.7306 -9.7306 -9.6855 -9.6855 -9.4733 -9.4733 -9.3391 -9.3391 -9.0128 -9.0128 -8.9806 -8.9806 -6.6240 -6.6240 -5.8801 -5.8801 -5.6900 -5.6900 -4.7402 -4.7402 -4.6992 -4.6992 -4.4199 -4.4199 -4.3421 -4.3421 -3.8820 -3.8820 -3.6796 -3.6796 -3.2621 -3.2621 -3.2297 -3.2297 -2.9026 -2.9026 -2.8321 -2.8321 -2.7288 -2.7288 -2.6068 -2.6068 -2.4823 -2.4823 -1.9617 -1.9617 -1.4358 -1.4358 -1.2851 -1.2851 -0.2189 -0.2189 0.0546 0.0546 0.2221 0.2221 0.3217 0.3217 0.6157 0.6157 1.0060 1.0060 1.2299 1.2299 1.3261 1.3261 1.5259 1.5259 1.7412 1.7412 1.9163 1.9163 2.0205 2.0205 2.2292 2.2292 4.4783 4.4783 5.0686 5.0686 5.3918 5.3918 5.5399 5.5399 7.1308 7.1308 7.6164 7.6164 7.9491 7.9491 8.1623 8.1623 k =-0.2195-0.3323 0.0323 ( 12704 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5534 -12.5534 -9.7299 -9.7299 -9.6856 -9.6856 -9.4827 -9.4827 -9.3344 -9.3344 -9.0120 -9.0120 -8.9769 -8.9769 -6.6233 -6.6233 -5.8801 -5.8801 -5.6894 -5.6894 -4.7421 -4.7421 -4.6975 -4.6975 -4.4190 -4.4190 -4.3417 -4.3417 -3.8817 -3.8817 -3.6797 -3.6797 -3.2638 -3.2638 -3.2297 -3.2297 -2.9023 -2.9023 -2.8323 -2.8323 -2.7299 -2.7299 -2.6071 -2.6071 -2.4814 -2.4814 -1.9540 -1.9540 -1.4342 -1.4342 -1.2788 -1.2788 -0.2185 -0.2185 0.0525 0.0525 0.2163 0.2163 0.3249 0.3249 0.5953 0.5953 1.0045 1.0045 1.2291 1.2291 1.3258 1.3258 1.5200 1.5200 1.7380 1.7380 1.9083 1.9083 2.0228 2.0228 2.2260 2.2260 4.4944 4.4944 5.0429 5.0429 5.3784 5.3784 5.5419 5.5419 7.1754 7.1754 7.6508 7.6508 7.9692 7.9692 8.1769 8.1769 k =-0.2073-0.3138 0.0305 ( 12717 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5532 -12.5532 -9.7296 -9.7296 -9.6857 -9.6857 -9.4918 -9.4918 -9.3298 -9.3298 -9.0115 -9.0115 -8.9732 -8.9732 -6.6227 -6.6227 -5.8801 -5.8801 -5.6885 -5.6885 -4.7439 -4.7439 -4.6956 -4.6956 -4.4181 -4.4181 -4.3414 -4.3414 -3.8810 -3.8810 -3.6796 -3.6796 -3.2658 -3.2658 -3.2296 -3.2296 -2.9021 -2.9021 -2.8328 -2.8328 -2.7315 -2.7315 -2.6075 -2.6075 -2.4806 -2.4806 -1.9463 -1.9463 -1.4329 -1.4329 -1.2724 -1.2724 -0.2158 -0.2158 0.0458 0.0458 0.2113 0.2113 0.3302 0.3302 0.5770 0.5770 0.9992 0.9992 1.2252 1.2252 1.3301 1.3301 1.5143 1.5143 1.7341 1.7341 1.8998 1.8998 2.0267 2.0267 2.2230 2.2230 4.5111 4.5111 5.0193 5.0193 5.3611 5.3611 5.5444 5.5444 7.2199 7.2199 7.6839 7.6839 7.9900 7.9900 8.1932 8.1932 k =-0.1951-0.2954 0.0287 ( 12725 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5531 -12.5531 -9.7295 -9.7295 -9.6859 -9.6859 -9.5003 -9.5003 -9.3251 -9.3251 -9.0112 -9.0112 -8.9697 -8.9697 -6.6221 -6.6221 -5.8800 -5.8800 -5.6874 -5.6874 -4.7456 -4.7456 -4.6935 -4.6935 -4.4173 -4.4173 -4.3412 -4.3412 -3.8800 -3.8800 -3.6794 -3.6794 -3.2680 -3.2680 -3.2293 -3.2293 -2.9018 -2.9018 -2.8333 -2.8333 -2.7334 -2.7334 -2.6079 -2.6079 -2.4800 -2.4800 -1.9385 -1.9385 -1.4321 -1.4321 -1.2662 -1.2662 -0.2109 -0.2109 0.0343 0.0343 0.2071 0.2071 0.3372 0.3372 0.5614 0.5614 0.9906 0.9906 1.2175 1.2175 1.3388 1.3388 1.5090 1.5090 1.7297 1.7297 1.8913 1.8913 2.0317 2.0317 2.2204 2.2204 4.5276 4.5276 4.9983 4.9983 5.3403 5.3403 5.5473 5.5473 7.2638 7.2638 7.7159 7.7159 8.0116 8.0116 8.2110 8.2110 k =-0.1829-0.2769 0.0269 ( 12730 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5528 -12.5528 -9.7297 -9.7297 -9.6861 -9.6861 -9.5082 -9.5082 -9.3205 -9.3205 -9.0111 -9.0111 -8.9663 -8.9663 -6.6216 -6.6216 -5.8799 -5.8799 -5.6861 -5.6861 -4.7472 -4.7472 -4.6914 -4.6914 -4.4164 -4.4164 -4.3412 -4.3412 -3.8786 -3.8786 -3.6791 -3.6791 -3.2705 -3.2705 -3.2290 -3.2290 -2.9016 -2.9016 -2.8339 -2.8339 -2.7357 -2.7357 -2.6084 -2.6084 -2.4796 -2.4796 -1.9307 -1.9307 -1.4316 -1.4316 -1.2603 -1.2603 -0.2040 -0.2040 0.0191 0.0191 0.2037 0.2037 0.3455 0.3455 0.5489 0.5489 0.9790 0.9790 1.2064 1.2064 1.3508 1.3508 1.5046 1.5046 1.7249 1.7249 1.8831 1.8831 2.0374 2.0374 2.2180 2.2180 4.5430 4.5430 4.9804 4.9804 5.3163 5.3163 5.5503 5.5503 7.3070 7.3070 7.7471 7.7471 8.0340 8.0340 8.2301 8.2301 k =-0.1707-0.2585 0.0251 ( 12728 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5526 -12.5526 -9.7303 -9.7303 -9.6864 -9.6864 -9.5153 -9.5153 -9.3160 -9.3160 -9.0112 -9.0112 -8.9631 -8.9631 -6.6211 -6.6211 -5.8798 -5.8798 -5.6847 -5.6847 -4.7486 -4.7486 -4.6893 -4.6893 -4.4156 -4.4156 -4.3412 -4.3412 -3.8769 -3.8769 -3.6787 -3.6787 -3.2732 -3.2732 -3.2285 -3.2285 -2.9013 -2.9013 -2.8346 -2.8346 -2.7383 -2.7383 -2.6089 -2.6089 -2.4793 -2.4793 -1.9229 -1.9229 -1.4315 -1.4315 -1.2548 -1.2548 -0.1957 -0.1957 0.0013 0.0013 0.2003 0.2003 0.3546 0.3546 0.5398 0.5398 0.9649 0.9649 1.1928 1.1928 1.3647 1.3647 1.5014 1.5014 1.7198 1.7198 1.8755 1.8755 2.0436 2.0436 2.2159 2.2159 4.5567 4.5567 4.9661 4.9661 5.2896 5.2896 5.5534 5.5534 7.3493 7.3493 7.7776 7.7776 8.0569 8.0569 8.2500 8.2500 k =-0.1585-0.2400 0.0233 ( 12730 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5523 -12.5523 -9.7312 -9.7312 -9.6867 -9.6867 -9.5215 -9.5215 -9.3117 -9.3117 -9.0115 -9.0115 -8.9600 -8.9600 -6.6207 -6.6207 -5.8796 -5.8796 -5.6831 -5.6831 -4.7499 -4.7499 -4.6870 -4.6870 -4.4148 -4.4148 -4.3412 -4.3412 -3.8750 -3.8750 -3.6782 -3.6782 -3.2760 -3.2760 -3.2279 -3.2279 -2.9010 -2.9010 -2.8355 -2.8355 -2.7412 -2.7412 -2.6094 -2.6094 -2.4791 -2.4791 -1.9152 -1.9152 -1.4316 -1.4316 -1.2498 -1.2498 -0.1866 -0.1866 -0.0173 -0.0173 0.1967 0.1967 0.3641 0.3641 0.5340 0.5340 0.9486 0.9486 1.1775 1.1775 1.3795 1.3795 1.4996 1.4996 1.7146 1.7146 1.8686 1.8686 2.0499 2.0499 2.2141 2.2141 4.5678 4.5678 4.9557 4.9557 5.2605 5.2605 5.5565 5.5565 7.3909 7.3909 7.8075 7.8075 8.0802 8.0802 8.2707 8.2707 k =-0.1463-0.2215 0.0216 ( 12731 PWs) bands (ev): -17.7682 -17.7682 -15.9473 -15.9473 -12.5520 -12.5520 -9.7325 -9.7325 -9.6871 -9.6871 -9.5269 -9.5269 -9.3074 -9.3074 -9.0121 -9.0121 -8.9572 -8.9572 -6.6204 -6.6204 -5.8795 -5.8795 -5.6814 -5.6814 -4.7510 -4.7510 -4.6848 -4.6848 -4.4140 -4.4140 -4.3414 -4.3414 -3.8728 -3.8728 -3.6777 -3.6777 -3.2789 -3.2789 -3.2271 -3.2271 -2.9006 -2.9006 -2.8365 -2.8365 -2.7443 -2.7443 -2.6099 -2.6099 -2.4791 -2.4791 -1.9075 -1.9075 -1.4320 -1.4320 -1.2454 -1.2454 -0.1782 -0.1782 -0.0346 -0.0346 0.1925 0.1925 0.3738 0.3738 0.5310 0.5310 0.9303 0.9303 1.1611 1.1611 1.3943 1.3943 1.4994 1.4994 1.7094 1.7094 1.8624 1.8624 2.0563 2.0563 2.2126 2.2126 4.5760 4.5760 4.9494 4.9494 5.2298 5.2298 5.5596 5.5596 7.4317 7.4317 7.8368 7.8368 8.1035 8.1035 8.2916 8.2916 k =-0.1341-0.2031 0.0198 ( 12731 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5517 -12.5517 -9.7342 -9.7342 -9.6875 -9.6875 -9.5315 -9.5315 -9.3034 -9.3034 -9.0128 -9.0128 -8.9545 -8.9545 -6.6201 -6.6201 -5.8793 -5.8793 -5.6796 -5.6796 -4.7519 -4.7519 -4.6826 -4.6826 -4.4133 -4.4133 -4.3416 -4.3416 -3.8704 -3.8704 -3.6771 -3.6771 -3.2819 -3.2819 -3.2262 -3.2262 -2.9001 -2.9001 -2.8375 -2.8375 -2.7476 -2.7476 -2.6104 -2.6104 -2.4791 -2.4791 -1.9001 -1.9001 -1.4327 -1.4327 -1.2415 -1.2415 -0.1729 -0.1729 -0.0474 -0.0474 0.1876 0.1876 0.3835 0.3835 0.5302 0.5302 0.9106 0.9106 1.1442 1.1442 1.4084 1.4084 1.5009 1.5009 1.7045 1.7045 1.8569 1.8569 2.0625 2.0625 2.2114 2.2114 4.5810 4.5810 4.9469 4.9469 5.1981 5.1981 5.5627 5.5627 7.4719 7.4719 7.8654 7.8654 8.1262 8.1262 8.3124 8.3124 k =-0.1220-0.1846 0.0180 ( 12723 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5514 -12.5514 -9.7361 -9.7361 -9.6879 -9.6879 -9.5352 -9.5352 -9.2996 -9.2996 -9.0136 -9.0136 -8.9520 -8.9520 -6.6198 -6.6198 -5.8791 -5.8791 -5.6779 -5.6779 -4.7528 -4.7528 -4.6804 -4.6804 -4.4126 -4.4126 -4.3419 -4.3419 -3.8679 -3.8679 -3.6765 -3.6765 -3.2850 -3.2850 -3.2253 -3.2253 -2.8995 -2.8995 -2.8387 -2.8387 -2.7509 -2.7509 -2.6109 -2.6109 -2.4792 -2.4792 -1.8929 -1.8929 -1.4334 -1.4334 -1.2383 -1.2383 -0.1736 -0.1736 -0.0525 -0.0525 0.1821 0.1821 0.3932 0.3932 0.5310 0.5310 0.8897 0.8897 1.1272 1.1272 1.4215 1.4215 1.5038 1.5038 1.7001 1.7001 1.8521 1.8521 2.0684 2.0684 2.2106 2.2106 4.5831 4.5831 4.9475 4.9475 5.1662 5.1662 5.5657 5.5657 7.5116 7.5116 7.8930 7.8930 8.1479 8.1479 8.3326 8.3326 k =-0.1098-0.1661 0.0162 ( 12715 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5511 -12.5511 -9.7382 -9.7382 -9.6883 -9.6883 -9.5381 -9.5381 -9.2961 -9.2961 -9.0145 -9.0145 -8.9497 -8.9497 -6.6197 -6.6197 -5.8789 -5.8789 -5.6761 -5.6761 -4.7534 -4.7534 -4.6783 -4.6783 -4.4120 -4.4120 -4.3422 -4.3422 -3.8653 -3.8653 -3.6759 -3.6759 -3.2880 -3.2880 -3.2243 -3.2243 -2.8989 -2.8989 -2.8399 -2.8399 -2.7543 -2.7543 -2.6113 -2.6113 -2.4793 -2.4793 -1.8860 -1.8860 -1.4343 -1.4343 -1.2356 -1.2356 -0.1815 -0.1815 -0.0482 -0.0482 0.1761 0.1761 0.4027 0.4027 0.5324 0.5324 0.8683 0.8683 1.1105 1.1105 1.4334 1.4334 1.5078 1.5078 1.6965 1.6965 1.8478 1.8478 2.0740 2.0740 2.2100 2.2100 4.5827 4.5827 4.9501 4.9501 5.1354 5.1354 5.5686 5.5686 7.5507 7.5507 7.9193 7.9193 8.1683 8.1683 8.3515 8.3515 k =-0.0976-0.1477 0.0144 ( 12713 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5508 -12.5508 -9.7405 -9.7405 -9.6888 -9.6888 -9.5403 -9.5403 -9.2929 -9.2929 -9.0155 -9.0155 -8.9477 -8.9477 -6.6195 -6.6195 -5.8787 -5.8787 -5.6745 -5.6745 -4.7540 -4.7540 -4.6763 -4.6763 -4.4115 -4.4115 -4.3425 -4.3425 -3.8627 -3.8627 -3.6753 -3.6753 -3.2910 -3.2910 -3.2232 -3.2232 -2.8982 -2.8982 -2.8412 -2.8412 -2.7576 -2.7576 -2.6117 -2.6117 -2.4795 -2.4795 -1.8795 -1.8795 -1.4353 -1.4353 -1.2334 -1.2334 -0.1946 -0.1946 -0.0366 -0.0366 0.1699 0.1699 0.4121 0.4121 0.5337 0.5337 0.8469 0.8469 1.0944 1.0944 1.4441 1.4441 1.5123 1.5123 1.6940 1.6940 1.8440 1.8440 2.0791 2.0791 2.2096 2.2096 4.5805 4.5805 4.9529 4.9529 5.1072 5.1072 5.5714 5.5714 7.5892 7.5892 7.9438 7.9438 8.1873 8.1873 8.3683 8.3683 k =-0.0854-0.1292 0.0126 ( 12712 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5505 -12.5505 -9.7428 -9.7428 -9.6891 -9.6891 -9.5420 -9.5420 -9.2899 -9.2899 -9.0165 -9.0165 -8.9458 -8.9458 -6.6194 -6.6194 -5.8785 -5.8785 -5.6729 -5.6729 -4.7545 -4.7545 -4.6745 -4.6745 -4.4110 -4.4110 -4.3428 -4.3428 -3.8603 -3.8603 -3.6747 -3.6747 -3.2938 -3.2938 -3.2222 -3.2222 -2.8975 -2.8975 -2.8425 -2.8425 -2.7607 -2.7607 -2.6121 -2.6121 -2.4797 -2.4797 -1.8736 -1.8736 -1.4362 -1.4362 -1.2316 -1.2316 -0.2100 -0.2100 -0.0204 -0.0204 0.1636 0.1636 0.4212 0.4212 0.5343 0.5343 0.8264 0.8264 1.0792 1.0792 1.4538 1.4538 1.5164 1.5164 1.6926 1.6926 1.8408 1.8408 2.0837 2.0837 2.2095 2.2095 4.5771 4.5771 4.9539 4.9539 5.0834 5.0834 5.5740 5.5740 7.6269 7.6269 7.9657 7.9657 8.2051 8.2051 8.3824 8.3824 k =-0.0732-0.1108 0.0108 ( 12714 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5503 -12.5503 -9.7451 -9.7451 -9.6895 -9.6895 -9.5431 -9.5431 -9.2873 -9.2873 -9.0175 -9.0175 -8.9442 -8.9442 -6.6194 -6.6194 -5.8784 -5.8784 -5.6714 -5.6714 -4.7548 -4.7548 -4.6729 -4.6729 -4.4105 -4.4105 -4.3432 -4.3432 -3.8579 -3.8579 -3.6742 -3.6742 -3.2964 -3.2964 -3.2212 -3.2212 -2.8967 -2.8967 -2.8438 -2.8438 -2.7637 -2.7637 -2.6124 -2.6124 -2.4799 -2.4799 -1.8682 -1.8682 -1.4372 -1.4372 -1.2303 -1.2303 -0.2256 -0.2256 -0.0020 -0.0020 0.1574 0.1574 0.4298 0.4298 0.5338 0.5338 0.8073 0.8073 1.0653 1.0653 1.4627 1.4627 1.5197 1.5197 1.6925 1.6925 1.8379 1.8379 2.0878 2.0878 2.2095 2.2095 4.5733 4.5733 4.9508 4.9508 5.0663 5.0663 5.5763 5.5763 7.6632 7.6632 7.9843 7.9843 8.2221 8.2221 8.3932 8.3932 k =-0.0610-0.0923 0.0090 ( 12702 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5500 -12.5500 -9.7472 -9.7472 -9.6898 -9.6898 -9.5439 -9.5439 -9.2851 -9.2851 -9.0184 -9.0184 -8.9429 -8.9429 -6.6193 -6.6193 -5.8782 -5.8782 -5.6702 -5.6702 -4.7551 -4.7551 -4.6714 -4.6714 -4.4101 -4.4101 -4.3435 -4.3435 -3.8558 -3.8558 -3.6737 -3.6737 -3.2987 -3.2987 -3.2203 -3.2203 -2.8959 -2.8959 -2.8450 -2.8450 -2.7663 -2.7663 -2.6126 -2.6126 -2.4801 -2.4801 -1.8635 -1.8635 -1.4380 -1.4380 -1.2293 -1.2293 -0.2400 -0.2400 0.0171 0.0171 0.1513 0.1513 0.4377 0.4377 0.5319 0.5319 0.7905 0.7905 1.0529 1.0529 1.4711 1.4711 1.5215 1.5215 1.6935 1.6935 1.8354 1.8354 2.0913 2.0913 2.2097 2.2097 4.5694 4.5694 4.9428 4.9428 5.0568 5.0568 5.5784 5.5784 7.6976 7.6976 7.9987 7.9987 8.2388 8.2388 8.4002 8.4002 k =-0.0488-0.0738 0.0072 ( 12700 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5498 -12.5498 -9.7491 -9.7491 -9.6900 -9.6900 -9.5443 -9.5443 -9.2833 -9.2833 -9.0193 -9.0193 -8.9418 -8.9418 -6.6193 -6.6193 -5.8781 -5.8781 -5.6691 -5.6691 -4.7553 -4.7553 -4.6702 -4.6702 -4.4098 -4.4098 -4.3437 -4.3437 -3.8540 -3.8540 -3.6732 -3.6732 -3.3007 -3.3007 -3.2194 -3.2194 -2.8952 -2.8952 -2.8461 -2.8461 -2.7685 -2.7685 -2.6129 -2.6129 -2.4803 -2.4803 -1.8595 -1.8595 -1.4388 -1.4388 -1.2286 -1.2286 -0.2526 -0.2526 0.0356 0.0356 0.1455 0.1455 0.4448 0.4448 0.5287 0.5287 0.7763 0.7763 1.0423 1.0423 1.4791 1.4791 1.5217 1.5217 1.6953 1.6953 1.8333 1.8333 2.0942 2.0942 2.2100 2.2100 4.5658 4.5658 4.9313 4.9313 5.0535 5.0535 5.5801 5.5801 7.7291 7.7291 8.0086 8.0086 8.2556 8.2556 8.4035 8.4035 k =-0.0366-0.0554 0.0054 ( 12700 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5497 -12.5497 -9.7506 -9.7506 -9.6902 -9.6902 -9.5446 -9.5446 -9.2818 -9.2818 -9.0199 -9.0199 -8.9409 -8.9409 -6.6193 -6.6193 -5.8779 -5.8779 -5.6682 -5.6682 -4.7554 -4.7554 -4.6692 -4.6692 -4.4096 -4.4096 -4.3439 -4.3439 -3.8525 -3.8525 -3.6729 -3.6729 -3.3023 -3.3023 -3.2188 -3.2188 -2.8946 -2.8946 -2.8470 -2.8470 -2.7704 -2.7704 -2.6130 -2.6130 -2.4805 -2.4805 -1.8563 -1.8563 -1.4394 -1.4394 -1.2281 -1.2281 -0.2627 -0.2627 0.0523 0.0523 0.1401 0.1401 0.4507 0.4507 0.5248 0.5248 0.7653 0.7653 1.0337 1.0337 1.4866 1.4866 1.5203 1.5203 1.6974 1.6974 1.8316 1.8316 2.0964 2.0964 2.2103 2.2103 4.5629 4.5629 4.9193 4.9193 5.0537 5.0537 5.5815 5.5815 7.7564 7.7564 8.0141 8.0141 8.2721 8.2721 8.4031 8.4031 k =-0.0244-0.0369 0.0036 ( 12711 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5496 -12.5496 -9.7518 -9.7518 -9.6904 -9.6904 -9.5448 -9.5448 -9.2808 -9.2808 -9.0204 -9.0204 -8.9403 -8.9403 -6.6193 -6.6193 -5.8779 -5.8779 -5.6676 -5.6676 -4.7555 -4.7555 -4.6685 -4.6685 -4.4094 -4.4094 -4.3441 -4.3441 -3.8514 -3.8514 -3.6727 -3.6727 -3.3035 -3.3035 -3.2183 -3.2183 -2.8941 -2.8941 -2.8477 -2.8477 -2.7717 -2.7717 -2.6131 -2.6131 -2.4806 -2.4806 -1.8540 -1.8540 -1.4399 -1.4399 -1.2278 -1.2278 -0.2702 -0.2702 0.0662 0.0662 0.1352 0.1352 0.4553 0.4553 0.5210 0.5210 0.7575 0.7575 1.0274 1.0274 1.4936 1.4936 1.5175 1.5175 1.6994 1.6994 1.8303 1.8303 2.0980 2.0980 2.2105 2.2105 4.5608 4.5608 4.9093 4.9093 5.0550 5.0550 5.5825 5.5825 7.7780 7.7780 8.0162 8.0162 8.2871 8.2871 8.4001 8.4001 k =-0.0122-0.0185 0.0018 ( 12714 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7525 -9.7525 -9.6905 -9.6905 -9.5448 -9.5448 -9.2801 -9.2801 -9.0207 -9.0207 -8.9399 -8.9399 -6.6193 -6.6193 -5.8778 -5.8778 -5.6672 -5.6672 -4.7556 -4.7556 -4.6681 -4.6681 -4.4093 -4.4093 -4.3442 -4.3442 -3.8507 -3.8507 -3.6725 -3.6725 -3.3042 -3.3042 -3.2179 -3.2179 -2.8937 -2.8937 -2.8481 -2.8481 -2.7725 -2.7725 -2.6132 -2.6132 -2.4807 -2.4807 -1.8526 -1.8526 -1.4402 -1.4402 -1.2276 -1.2276 -0.2747 -0.2747 0.0758 0.0758 0.1314 0.1314 0.4582 0.4582 0.5181 0.5181 0.7528 0.7528 1.0236 1.0236 1.4998 1.4998 1.5138 1.5138 1.7008 1.7008 1.8295 1.8295 2.0990 2.0990 2.2107 2.2107 4.5595 4.5595 4.9027 4.9027 5.0563 5.0563 5.5832 5.5832 7.7921 7.7921 8.0164 8.0164 8.2982 8.2982 8.3964 8.3964 k = 0.0000 0.0000 0.0000 ( 12711 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7527 -9.7527 -9.6905 -9.6905 -9.5449 -9.5449 -9.2799 -9.2799 -9.0209 -9.0209 -8.9398 -8.9398 -6.6193 -6.6193 -5.8778 -5.8778 -5.6670 -5.6670 -4.7556 -4.7556 -4.6680 -4.6680 -4.4093 -4.4093 -4.3442 -4.3442 -3.8505 -3.8505 -3.6724 -3.6724 -3.3044 -3.3044 -3.2178 -3.2178 -2.8936 -2.8936 -2.8483 -2.8483 -2.7728 -2.7728 -2.6132 -2.6132 -2.4807 -2.4807 -1.8522 -1.8522 -1.4403 -1.4403 -1.2275 -1.2275 -0.2763 -0.2763 0.0793 0.0793 0.1299 0.1299 0.4592 0.4592 0.5170 0.5170 0.7513 0.7513 1.0223 1.0223 1.5031 1.5031 1.5113 1.5113 1.7013 1.7013 1.8292 1.8292 2.0993 2.0993 2.2107 2.2107 4.5590 4.5590 4.9004 4.9004 5.0568 5.0568 5.5834 5.5834 7.7970 7.7970 8.0163 8.0163 8.3025 8.3025 8.3947 8.3947 k = 0.0000 0.0000 0.0000 ( 12711 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7527 -9.7527 -9.6905 -9.6905 -9.5449 -9.5449 -9.2799 -9.2799 -9.0209 -9.0209 -8.9398 -8.9398 -6.6193 -6.6193 -5.8778 -5.8778 -5.6670 -5.6670 -4.7556 -4.7556 -4.6680 -4.6680 -4.4093 -4.4093 -4.3442 -4.3442 -3.8505 -3.8505 -3.6724 -3.6724 -3.3044 -3.3044 -3.2178 -3.2178 -2.8936 -2.8936 -2.8483 -2.8483 -2.7728 -2.7728 -2.6132 -2.6132 -2.4807 -2.4807 -1.8522 -1.8522 -1.4403 -1.4403 -1.2275 -1.2275 -0.2763 -0.2763 0.0793 0.0793 0.1299 0.1299 0.4592 0.4592 0.5170 0.5170 0.7513 0.7513 1.0223 1.0223 1.5031 1.5031 1.5113 1.5113 1.7013 1.7013 1.8292 1.8292 2.0993 2.0993 2.2107 2.2107 4.5590 4.5590 4.9004 4.9004 5.0568 5.0568 5.5834 5.5834 7.7970 7.7970 8.0163 8.0163 8.3025 8.3025 8.3947 8.3947 k = 0.0000 0.0000 0.0220 ( 12710 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7527 -9.7527 -9.6904 -9.6904 -9.5448 -9.5448 -9.2798 -9.2798 -9.0210 -9.0210 -8.9400 -8.9400 -6.6194 -6.6194 -5.8778 -5.8778 -5.6670 -5.6670 -4.7557 -4.7557 -4.6678 -4.6678 -4.4094 -4.4094 -4.3442 -4.3442 -3.8505 -3.8505 -3.6725 -3.6725 -3.3042 -3.3042 -3.2179 -3.2179 -2.8942 -2.8942 -2.8476 -2.8476 -2.7727 -2.7727 -2.6131 -2.6131 -2.4807 -2.4807 -1.8517 -1.8517 -1.4401 -1.4401 -1.2276 -1.2276 -0.2765 -0.2765 0.0795 0.0795 0.1309 0.1309 0.4573 0.4573 0.5145 0.5145 0.7532 0.7532 1.0234 1.0234 1.4965 1.4965 1.5178 1.5178 1.6990 1.6990 1.8308 1.8308 2.0989 2.0989 2.2101 2.2101 4.5592 4.5592 4.9033 4.9033 5.0561 5.0561 5.5838 5.5838 7.7947 7.7947 8.0163 8.0163 8.2992 8.2992 8.3960 8.3960 k = 0.0000 0.0000 0.0441 ( 12702 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7526 -9.7526 -9.6902 -9.6902 -9.5447 -9.5447 -9.2793 -9.2793 -9.0216 -9.0216 -8.9405 -8.9405 -6.6196 -6.6196 -5.8778 -5.8778 -5.6670 -5.6670 -4.7558 -4.7558 -4.6674 -4.6674 -4.4098 -4.4098 -4.3439 -4.3439 -3.8504 -3.8504 -3.6727 -3.6727 -3.3034 -3.3034 -3.2179 -3.2179 -2.8958 -2.8958 -2.8458 -2.8458 -2.7723 -2.7723 -2.6128 -2.6128 -2.4807 -2.4807 -1.8505 -1.8505 -1.4394 -1.4394 -1.2278 -1.2278 -0.2773 -0.2773 0.0798 0.0798 0.1340 0.1340 0.4517 0.4517 0.5075 0.5075 0.7587 0.7587 1.0267 1.0267 1.4870 1.4870 1.5267 1.5267 1.6926 1.6926 1.8351 1.8351 2.0976 2.0976 2.2083 2.2083 4.5598 4.5598 4.9118 4.9118 5.0540 5.0540 5.5850 5.5850 7.7881 7.7881 8.0165 8.0165 8.2899 8.2899 8.3994 8.3994 k = 0.0000 0.0000 0.0661 ( 12698 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7524 -9.7524 -9.6898 -9.6898 -9.5444 -9.5444 -9.2785 -9.2785 -9.0226 -9.0226 -8.9415 -8.9415 -6.6200 -6.6200 -5.8779 -5.8779 -5.6670 -5.6670 -4.7560 -4.7560 -4.6668 -4.6668 -4.4105 -4.4105 -4.3436 -4.3436 -3.8504 -3.8504 -3.6730 -3.6730 -3.3022 -3.3022 -3.2180 -3.2180 -2.8982 -2.8982 -2.8430 -2.8430 -2.7718 -2.7718 -2.6123 -2.6123 -2.4808 -2.4808 -1.8484 -1.8484 -1.4383 -1.4383 -1.2282 -1.2282 -0.2784 -0.2784 0.0802 0.0802 0.1390 0.1390 0.4421 0.4421 0.4975 0.4975 0.7663 0.7663 1.0321 1.0321 1.4776 1.4776 1.5352 1.5352 1.6829 1.6829 1.8414 1.8414 2.0955 2.0955 2.2055 2.2055 4.5608 4.5608 4.9254 4.9254 5.0507 5.0507 5.5870 5.5870 7.7774 7.7774 8.0164 8.0164 8.2763 8.2763 8.4042 8.4042 k = 0.0000 0.0000 0.0882 ( 12697 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7522 -9.7522 -9.6892 -9.6892 -9.5441 -9.5441 -9.2774 -9.2774 -9.0239 -9.0239 -8.9428 -8.9428 -6.6205 -6.6205 -5.8779 -5.8779 -5.6670 -5.6670 -4.7563 -4.7563 -4.6660 -4.6660 -4.4114 -4.4114 -4.3431 -4.3431 -3.8503 -3.8503 -3.6733 -3.6733 -3.3005 -3.3005 -3.2181 -3.2181 -2.9010 -2.9010 -2.8397 -2.8397 -2.7711 -2.7711 -2.6117 -2.6117 -2.4809 -2.4809 -1.8455 -1.8455 -1.4368 -1.4368 -1.2288 -1.2288 -0.2796 -0.2796 0.0806 0.0806 0.1457 0.1457 0.4289 0.4289 0.4862 0.4862 0.7750 0.7750 1.0392 1.0392 1.4684 1.4684 1.5427 1.5427 1.6709 1.6709 1.8490 1.8490 2.0929 2.0929 2.2016 2.2016 4.5624 4.5624 4.9435 4.9435 5.0465 5.0465 5.5898 5.5898 7.7632 7.7632 8.0157 8.0157 8.2599 8.2599 8.4099 8.4099 k = 0.0000 0.0000 0.1102 ( 12685 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5496 -12.5496 -9.7519 -9.7519 -9.6885 -9.6885 -9.5437 -9.5437 -9.2760 -9.2760 -9.0255 -9.0255 -8.9444 -8.9444 -6.6211 -6.6211 -5.8780 -5.8780 -5.6669 -5.6669 -4.7567 -4.7567 -4.6649 -4.6649 -4.4124 -4.4124 -4.3425 -4.3425 -3.8502 -3.8502 -3.6738 -3.6738 -3.2984 -3.2984 -3.2182 -3.2182 -2.9041 -2.9041 -2.8360 -2.8360 -2.7702 -2.7702 -2.6108 -2.6108 -2.4809 -2.4809 -1.8418 -1.8418 -1.4350 -1.4350 -1.2295 -1.2295 -0.2808 -0.2808 0.0808 0.0808 0.1537 0.1537 0.4127 0.4127 0.4743 0.4743 0.7835 0.7835 1.0479 1.0479 1.4597 1.4597 1.5486 1.5486 1.6577 1.6577 1.8575 1.8575 2.0899 2.0899 2.1969 2.1969 4.5646 4.5646 4.9647 4.9647 5.0421 5.0421 5.5936 5.5936 7.7460 7.7460 8.0140 8.0140 8.2422 8.2422 8.4160 8.4160 k = 0.0000 0.0000 0.1322 ( 12686 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5496 -12.5496 -9.7516 -9.7516 -9.6877 -9.6877 -9.5431 -9.5431 -9.2744 -9.2744 -9.0275 -9.0275 -8.9463 -8.9463 -6.6219 -6.6219 -5.8781 -5.8781 -5.6669 -5.6669 -4.7572 -4.7572 -4.6637 -4.6637 -4.4137 -4.4137 -4.3418 -4.3418 -3.8501 -3.8501 -3.6743 -3.6743 -3.2959 -3.2959 -3.2184 -3.2184 -2.9071 -2.9071 -2.8322 -2.8322 -2.7692 -2.7692 -2.6097 -2.6097 -2.4810 -2.4810 -1.8373 -1.8373 -1.4331 -1.4331 -1.2305 -1.2305 -0.2815 -0.2815 0.0808 0.0808 0.1625 0.1625 0.3946 0.3946 0.4622 0.4622 0.7913 0.7913 1.0577 1.0577 1.4515 1.4515 1.5522 1.5522 1.6444 1.6444 1.8664 1.8664 2.0866 2.0866 2.1917 2.1917 4.5675 4.5675 4.9859 4.9859 5.0400 5.0400 5.5984 5.5984 7.7265 7.7265 8.0112 8.0112 8.2243 8.2243 8.4226 8.4226 k = 0.0000 0.0000 0.1543 ( 12678 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5497 -12.5497 -9.7512 -9.7512 -9.6867 -9.6867 -9.5425 -9.5425 -9.2726 -9.2726 -9.0297 -9.0297 -8.9484 -8.9484 -6.6227 -6.6227 -5.8782 -5.8782 -5.6669 -5.6669 -4.7577 -4.7577 -4.6623 -4.6623 -4.4151 -4.4151 -4.3411 -4.3411 -3.8500 -3.8500 -3.6749 -3.6749 -3.2931 -3.2931 -3.2187 -3.2187 -2.9099 -2.9099 -2.8284 -2.8284 -2.7681 -2.7681 -2.6085 -2.6085 -2.4812 -2.4812 -1.8322 -1.8322 -1.4310 -1.4310 -1.2317 -1.2317 -0.2816 -0.2816 0.0806 0.0806 0.1715 0.1715 0.3759 0.3759 0.4501 0.4501 0.7981 0.7981 1.0681 1.0681 1.4438 1.4438 1.5527 1.5527 1.6320 1.6320 1.8756 1.8756 2.0833 2.0833 2.1859 2.1859 4.5711 4.5711 4.9988 4.9988 5.0477 5.0477 5.6042 5.6042 7.7052 7.7052 8.0071 8.0071 8.2067 8.2067 8.4296 8.4296 k = 0.0000 0.0000 0.1763 ( 12684 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5497 -12.5497 -9.7509 -9.7509 -9.6856 -9.6856 -9.5419 -9.5419 -9.2706 -9.2706 -9.0322 -9.0322 -8.9508 -8.9508 -6.6236 -6.6236 -5.8784 -5.8784 -5.6668 -5.6668 -4.7582 -4.7582 -4.6608 -4.6608 -4.4166 -4.4166 -4.3403 -4.3403 -3.8499 -3.8499 -3.6756 -3.6756 -3.2900 -3.2900 -3.2191 -3.2191 -2.9126 -2.9126 -2.8247 -2.8247 -2.7671 -2.7671 -2.6071 -2.6071 -2.4813 -2.4813 -1.8264 -1.8264 -1.4288 -1.4288 -1.2331 -1.2331 -0.2809 -0.2809 0.0801 0.0801 0.1800 0.1800 0.3575 0.3575 0.4379 0.4379 0.8038 0.8038 1.0787 1.0787 1.4364 1.4364 1.5492 1.5492 1.6218 1.6218 1.8852 1.8852 2.0802 2.0802 2.1799 2.1799 4.5755 4.5755 4.9981 4.9981 5.0701 5.0701 5.6112 5.6112 7.6827 7.6827 8.0017 8.0017 8.1902 8.1902 8.4369 8.4369 k = 0.0000 0.0000 0.1983 ( 12685 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5498 -12.5498 -9.7507 -9.7507 -9.6844 -9.6844 -9.5411 -9.5411 -9.2684 -9.2684 -9.0348 -9.0348 -8.9534 -8.9534 -6.6246 -6.6246 -5.8785 -5.8785 -5.6668 -5.6668 -4.7588 -4.7588 -4.6592 -4.6592 -4.4182 -4.4182 -4.3395 -4.3395 -3.8498 -3.8498 -3.6763 -3.6763 -3.2866 -3.2866 -3.2196 -3.2196 -2.9150 -2.9150 -2.8211 -2.8211 -2.7661 -2.7661 -2.6056 -2.6056 -2.4814 -2.4814 -1.8201 -1.8201 -1.4268 -1.4268 -1.2348 -1.2348 -0.2793 -0.2793 0.0794 0.0794 0.1872 0.1872 0.3404 0.3404 0.4257 0.4257 0.8086 0.8086 1.0891 1.0891 1.4290 1.4290 1.5418 1.5418 1.6140 1.6140 1.8950 1.8950 2.0775 2.0775 2.1737 2.1737 4.5805 4.5805 4.9907 4.9907 5.0992 5.0992 5.6195 5.6195 7.6596 7.6596 7.9954 7.9954 8.1748 8.1748 8.4445 8.4445 k = 0.0000 0.0000 0.2204 ( 12682 PWs) bands (ev): -17.7684 -17.7684 -15.9474 -15.9474 -12.5498 -12.5498 -9.7504 -9.7504 -9.6831 -9.6831 -9.5403 -9.5403 -9.2662 -9.2662 -9.0375 -9.0375 -8.9560 -8.9560 -6.6256 -6.6256 -5.8786 -5.8786 -5.6668 -5.6668 -4.7594 -4.7594 -4.6576 -4.6576 -4.4197 -4.4197 -4.3386 -4.3386 -3.8496 -3.8496 -3.6770 -3.6770 -3.2830 -3.2830 -3.2202 -3.2202 -2.9170 -2.9170 -2.8178 -2.8178 -2.7651 -2.7651 -2.6041 -2.6041 -2.4815 -2.4815 -1.8133 -1.8133 -1.4250 -1.4250 -1.2367 -1.2367 -0.2765 -0.2765 0.0786 0.0786 0.1924 0.1924 0.3254 0.3254 0.4136 0.4136 0.8129 0.8129 1.0991 1.0991 1.4213 1.4213 1.5318 1.5318 1.6079 1.6079 1.9052 1.9052 2.0752 2.0752 2.1676 2.1676 4.5862 4.5862 4.9808 4.9808 5.1301 5.1301 5.6289 5.6289 7.6364 7.6364 7.9886 7.9886 8.1608 8.1608 8.4523 8.4523 k = 0.0000 0.0000 0.2424 ( 12674 PWs) bands (ev): -17.7684 -17.7684 -15.9474 -15.9474 -12.5499 -12.5499 -9.7502 -9.7502 -9.6817 -9.6817 -9.5395 -9.5395 -9.2639 -9.2639 -9.0403 -9.0403 -8.9587 -8.9587 -6.6266 -6.6266 -5.8788 -5.8788 -5.6667 -5.6667 -4.7599 -4.7599 -4.6560 -4.6560 -4.4213 -4.4213 -4.3378 -4.3378 -3.8495 -3.8495 -3.6777 -3.6777 -3.2792 -3.2792 -3.2209 -3.2209 -2.9188 -2.9188 -2.8147 -2.8147 -2.7642 -2.7642 -2.6025 -2.6025 -2.4816 -2.4816 -1.8062 -1.8062 -1.4235 -1.4235 -1.2387 -1.2387 -0.2727 -0.2727 0.0776 0.0776 0.1949 0.1949 0.3130 0.3130 0.4019 0.4019 0.8169 0.8169 1.1086 1.1086 1.4125 1.4125 1.5211 1.5211 1.6025 1.6025 1.9157 1.9157 2.0735 2.0735 2.1615 2.1615 4.5924 4.5924 4.9699 4.9699 5.1610 5.1610 5.6396 5.6396 7.6137 7.6137 7.9816 7.9816 8.1479 8.1479 8.4599 8.4599 k = 0.0000 0.0000 0.2645 ( 12676 PWs) bands (ev): -17.7683 -17.7683 -15.9474 -15.9474 -12.5500 -12.5500 -9.7500 -9.7500 -9.6803 -9.6803 -9.5386 -9.5386 -9.2615 -9.2615 -9.0431 -9.0431 -8.9615 -8.9615 -6.6276 -6.6276 -5.8789 -5.8789 -5.6667 -5.6667 -4.7605 -4.7605 -4.6544 -4.6544 -4.4228 -4.4228 -4.3371 -4.3371 -3.8494 -3.8494 -3.6783 -3.6783 -3.2754 -3.2754 -3.2218 -3.2218 -2.9202 -2.9202 -2.8119 -2.8119 -2.7634 -2.7634 -2.6008 -2.6008 -2.4818 -2.4818 -1.7989 -1.7989 -1.4224 -1.4224 -1.2409 -1.2409 -0.2679 -0.2679 0.0765 0.0765 0.1945 0.1945 0.3037 0.3037 0.3905 0.3905 0.8209 0.8209 1.1175 1.1175 1.4021 1.4021 1.5114 1.5114 1.5968 1.5968 1.9265 1.9265 2.0724 2.0724 2.1556 2.1556 4.5990 4.5990 4.9585 4.9585 5.1905 5.1905 5.6515 5.6515 7.5919 7.5919 7.9750 7.9750 8.1360 8.1360 8.4673 8.4673 k = 0.0000 0.0000 0.2865 ( 12674 PWs) bands (ev): -17.7683 -17.7683 -15.9474 -15.9474 -12.5500 -12.5500 -9.7498 -9.7498 -9.6790 -9.6790 -9.5378 -9.5378 -9.2593 -9.2593 -9.0458 -9.0458 -8.9641 -8.9641 -6.6286 -6.6286 -5.8790 -5.8790 -5.6666 -5.6666 -4.7610 -4.7610 -4.6528 -4.6528 -4.4242 -4.4242 -4.3364 -4.3364 -3.8493 -3.8493 -3.6790 -3.6790 -3.2715 -3.2715 -3.2228 -3.2228 -2.9214 -2.9214 -2.8093 -2.8093 -2.7628 -2.7628 -2.5992 -2.5992 -2.4819 -2.4819 -1.7915 -1.7915 -1.4217 -1.4217 -1.2430 -1.2430 -0.2622 -0.2622 0.0750 0.0750 0.1916 0.1916 0.2973 0.2973 0.3795 0.3795 0.8251 0.8251 1.1258 1.1258 1.3896 1.3896 1.5039 1.5039 1.5905 1.5905 1.9374 1.9374 2.0718 2.0718 2.1498 2.1498 4.6058 4.6058 4.9469 4.9469 5.2178 5.2178 5.6643 5.6643 7.5715 7.5715 7.9694 7.9694 8.1249 8.1249 8.4742 8.4742 k = 0.0000 0.0000 0.3085 ( 12684 PWs) bands (ev): -17.7683 -17.7683 -15.9474 -15.9474 -12.5501 -12.5501 -9.7497 -9.7497 -9.6777 -9.6777 -9.5369 -9.5369 -9.2571 -9.2571 -9.0484 -9.0484 -8.9667 -8.9667 -6.6295 -6.6295 -5.8792 -5.8792 -5.6666 -5.6666 -4.7616 -4.7616 -4.6514 -4.6514 -4.4255 -4.4255 -4.3357 -4.3357 -3.8493 -3.8493 -3.6796 -3.6796 -3.2676 -3.2676 -3.2241 -3.2241 -2.9223 -2.9223 -2.8071 -2.8071 -2.7622 -2.7622 -2.5977 -2.5977 -2.4819 -2.4819 -1.7843 -1.7843 -1.4214 -1.4214 -1.2452 -1.2452 -0.2557 -0.2557 0.0731 0.0731 0.1870 0.1870 0.2932 0.2932 0.3688 0.3688 0.8298 0.8298 1.1338 1.1338 1.3749 1.3749 1.4993 1.4993 1.5833 1.5833 1.9481 1.9481 2.0718 2.0718 2.1442 2.1442 4.6126 4.6126 4.9356 4.9356 5.2424 5.2424 5.6777 5.6777 7.5526 7.5526 7.9653 7.9653 8.1141 8.1141 8.4804 8.4804 k = 0.0000 0.0000 0.3306 ( 12683 PWs) bands (ev): -17.7683 -17.7683 -15.9474 -15.9474 -12.5501 -12.5501 -9.7496 -9.7496 -9.6764 -9.6764 -9.5361 -9.5361 -9.2551 -9.2551 -9.0508 -9.0508 -8.9690 -8.9690 -6.6304 -6.6304 -5.8793 -5.8793 -5.6666 -5.6666 -4.7620 -4.7620 -4.6500 -4.6500 -4.4267 -4.4267 -4.3351 -4.3351 -3.8492 -3.8492 -3.6801 -3.6801 -3.2637 -3.2637 -3.2255 -3.2255 -2.9229 -2.9229 -2.8051 -2.8051 -2.7617 -2.7617 -2.5963 -2.5963 -2.4820 -2.4820 -1.7774 -1.7774 -1.4216 -1.4216 -1.2471 -1.2471 -0.2489 -0.2489 0.0707 0.0707 0.1820 0.1820 0.2910 0.2910 0.3585 0.3585 0.8347 0.8347 1.1416 1.1416 1.3587 1.3587 1.4973 1.4973 1.5754 1.5754 1.9585 1.9585 2.0724 2.0724 2.1387 2.1387 4.6194 4.6194 4.9248 4.9248 5.2638 5.2638 5.6911 5.6911 7.5357 7.5357 7.9631 7.9631 8.1035 8.1035 8.4857 8.4857 k = 0.0000 0.0000 0.3526 ( 12668 PWs) bands (ev): -17.7683 -17.7683 -15.9475 -15.9475 -12.5502 -12.5502 -9.7496 -9.7496 -9.6753 -9.6753 -9.5354 -9.5354 -9.2533 -9.2533 -9.0529 -9.0529 -8.9712 -8.9712 -6.6311 -6.6311 -5.8794 -5.8794 -5.6665 -5.6665 -4.7624 -4.7624 -4.6489 -4.6489 -4.4278 -4.4278 -4.3346 -4.3346 -3.8491 -3.8491 -3.6806 -3.6806 -3.2600 -3.2600 -3.2271 -3.2271 -2.9234 -2.9234 -2.8035 -2.8035 -2.7613 -2.7613 -2.5951 -2.5951 -2.4821 -2.4821 -1.7711 -1.7711 -1.4220 -1.4220 -1.2489 -1.2489 -0.2420 -0.2420 0.0677 0.0677 0.1775 0.1775 0.2901 0.2901 0.3484 0.3484 0.8397 0.8397 1.1494 1.1494 1.3417 1.3417 1.4978 1.4978 1.5670 1.5670 1.9681 1.9681 2.0734 2.0734 2.1335 2.1335 4.6258 4.6258 4.9148 4.9148 5.2819 5.2819 5.7042 5.7042 7.5210 7.5210 7.9630 7.9630 8.0928 8.0928 8.4900 8.4900 k = 0.0000 0.0000 0.3746 ( 12671 PWs) bands (ev): -17.7683 -17.7683 -15.9475 -15.9475 -12.5502 -12.5502 -9.7495 -9.7495 -9.6744 -9.6744 -9.5348 -9.5348 -9.2518 -9.2518 -9.0548 -9.0548 -8.9730 -8.9730 -6.6317 -6.6317 -5.8794 -5.8794 -5.6665 -5.6665 -4.7628 -4.7628 -4.6479 -4.6479 -4.4287 -4.4287 -4.3341 -4.3341 -3.8491 -3.8491 -3.6810 -3.6810 -3.2564 -3.2564 -3.2288 -3.2288 -2.9238 -2.9238 -2.8021 -2.8021 -2.7609 -2.7609 -2.5940 -2.5940 -2.4821 -2.4821 -1.7655 -1.7655 -1.4227 -1.4227 -1.2504 -1.2504 -0.2354 -0.2354 0.0642 0.0642 0.1742 0.1742 0.2901 0.2901 0.3388 0.3388 0.8446 0.8446 1.1571 1.1571 1.3248 1.3248 1.5003 1.5003 1.5582 1.5582 1.9766 1.9766 2.0748 2.0748 2.1285 2.1285 4.6316 4.6316 4.9060 4.9060 5.2965 5.2965 5.7160 5.7160 7.5086 7.5086 7.9648 7.9648 8.0823 8.0823 8.4931 8.4931 k = 0.0000 0.0000 0.3967 ( 12666 PWs) bands (ev): -17.7683 -17.7683 -15.9475 -15.9475 -12.5502 -12.5502 -9.7495 -9.7495 -9.6736 -9.6736 -9.5342 -9.5342 -9.2505 -9.2505 -9.0562 -9.0562 -8.9744 -8.9744 -6.6322 -6.6322 -5.8795 -5.8795 -5.6665 -5.6665 -4.7630 -4.7630 -4.6471 -4.6471 -4.4294 -4.4294 -4.3338 -4.3338 -3.8491 -3.8491 -3.6813 -3.6813 -3.2532 -3.2532 -3.2306 -3.2306 -2.9240 -2.9240 -2.8011 -2.8011 -2.7607 -2.7607 -2.5932 -2.5932 -2.4822 -2.4822 -1.7609 -1.7609 -1.4234 -1.4234 -1.2516 -1.2516 -0.2296 -0.2296 0.0606 0.0606 0.1721 0.1721 0.2911 0.2911 0.3298 0.3298 0.8490 0.8490 1.1647 1.1647 1.3091 1.3091 1.5043 1.5043 1.5492 1.5492 1.9836 1.9836 2.0766 2.0766 2.1239 2.1239 4.6365 4.6365 4.8987 4.8987 5.3077 5.3077 5.7261 5.7261 7.4988 7.4988 7.9682 7.9682 8.0721 8.0721 8.4953 8.4953 k = 0.0000 0.0000 0.4187 ( 12675 PWs) bands (ev): -17.7683 -17.7683 -15.9475 -15.9475 -12.5503 -12.5503 -9.7495 -9.7495 -9.6731 -9.6731 -9.5338 -9.5338 -9.2496 -9.2496 -9.0573 -9.0573 -8.9755 -8.9755 -6.6326 -6.6326 -5.8796 -5.8796 -5.6665 -5.6665 -4.7632 -4.7632 -4.6465 -4.6465 -4.4299 -4.4299 -4.3335 -4.3335 -3.8490 -3.8490 -3.6815 -3.6815 -3.2503 -3.2503 -3.2324 -3.2324 -2.9241 -2.9241 -2.8004 -2.8004 -2.7605 -2.7605 -2.5926 -2.5926 -2.4822 -2.4822 -1.7574 -1.7574 -1.4241 -1.4241 -1.2524 -1.2524 -0.2251 -0.2251 0.0574 0.0574 0.1712 0.1712 0.2928 0.2928 0.3220 0.3220 0.8525 0.8525 1.1715 1.1715 1.2959 1.2959 1.5097 1.5097 1.5405 1.5405 1.9889 1.9889 2.0783 2.0783 2.1201 2.1201 4.6402 4.6402 4.8931 4.8931 5.3157 5.3157 5.7338 5.7338 7.4917 7.4917 7.9725 7.9725 8.0630 8.0630 8.4965 8.4965 k = 0.0000 0.0000 0.4408 ( 12676 PWs) bands (ev): -17.7683 -17.7683 -15.9475 -15.9475 -12.5503 -12.5503 -9.7495 -9.7495 -9.6727 -9.6727 -9.5336 -9.5336 -9.2490 -9.2490 -9.0580 -9.0580 -8.9762 -8.9762 -6.6328 -6.6328 -5.8796 -5.8796 -5.6665 -5.6665 -4.7634 -4.7634 -4.6461 -4.6461 -4.4302 -4.4302 -4.3334 -4.3334 -3.8490 -3.8490 -3.6816 -3.6816 -3.2483 -3.2483 -3.2338 -3.2338 -2.9242 -2.9242 -2.7999 -2.7999 -2.7604 -2.7604 -2.5922 -2.5922 -2.4822 -2.4822 -1.7553 -1.7553 -1.4246 -1.4246 -1.2530 -1.2530 -0.2222 -0.2222 0.0552 0.0552 0.1708 0.1708 0.2949 0.2949 0.3160 0.3160 0.8547 0.8547 1.1765 1.1765 1.2868 1.2868 1.5160 1.5160 1.5321 1.5321 1.9922 1.9922 2.0798 2.0798 2.1174 2.1174 4.6426 4.6426 4.8897 4.8897 5.3204 5.3204 5.7386 5.7386 7.4874 7.4874 7.9762 7.9762 8.0565 8.0565 8.4972 8.4972 k = 0.0000 0.0000 0.4628 ( 12678 PWs) bands (ev): -17.7683 -17.7683 -15.9475 -15.9475 -12.5503 -12.5503 -9.7495 -9.7495 -9.6726 -9.6726 -9.5335 -9.5335 -9.2488 -9.2488 -9.0582 -9.0582 -8.9764 -8.9764 -6.6329 -6.6329 -5.8796 -5.8796 -5.6665 -5.6665 -4.7634 -4.7634 -4.6460 -4.6460 -4.4303 -4.4303 -4.3333 -4.3333 -3.8490 -3.8490 -3.6817 -3.6817 -3.2475 -3.2475 -3.2344 -3.2344 -2.9242 -2.9242 -2.7998 -2.7998 -2.7603 -2.7603 -2.5921 -2.5921 -2.4822 -2.4822 -1.7546 -1.7546 -1.4247 -1.4247 -1.2531 -1.2531 -0.2212 -0.2212 0.0544 0.0544 0.1708 0.1708 0.2960 0.2960 0.3136 0.3136 0.8555 0.8555 1.1784 1.1784 1.2835 1.2835 1.5214 1.5214 1.5260 1.5260 1.9933 1.9933 2.0803 2.0803 2.1164 2.1164 4.6434 4.6434 4.8886 4.8886 5.3220 5.3220 5.7402 5.7402 7.4860 7.4860 7.9777 7.9777 8.0541 8.0541 8.4973 8.4973 k = 0.0000-0.5432 0.3138 ( 12712 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5542 -12.5542 -9.7279 -9.7279 -9.6805 -9.6805 -9.4010 -9.4010 -9.3655 -9.3655 -9.0470 -9.0470 -9.0009 -9.0009 -6.6281 -6.6281 -5.8795 -5.8795 -5.6938 -5.6938 -4.7120 -4.7120 -4.7108 -4.7108 -4.4335 -4.4335 -4.3589 -4.3589 -3.8678 -3.8678 -3.6852 -3.6852 -3.2575 -3.2575 -3.2228 -3.2228 -2.9115 -2.9115 -2.8319 -2.8319 -2.7452 -2.7452 -2.6164 -2.6164 -2.5099 -2.5099 -1.9987 -1.9987 -1.4758 -1.4758 -1.3907 -1.3907 0.0080 0.0080 0.0492 0.0492 0.2033 0.2033 0.3184 0.3184 0.6679 0.6679 1.1206 1.1206 1.3156 1.3156 1.4399 1.4399 1.4747 1.4747 1.7914 1.7914 1.8390 1.8390 2.1584 2.1584 2.1616 2.1616 4.4614 4.4614 5.2272 5.2272 5.5719 5.5719 5.6297 5.6297 6.5763 6.5763 6.8554 6.8554 7.7383 7.7383 7.9519 7.9519 k = 0.0000-0.5238 0.3026 ( 12721 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5541 -12.5541 -9.7279 -9.7279 -9.6804 -9.6804 -9.4031 -9.4031 -9.3639 -9.3639 -9.0468 -9.0468 -9.0006 -9.0006 -6.6281 -6.6281 -5.8795 -5.8795 -5.6937 -5.6937 -4.7139 -4.7139 -4.7090 -4.7090 -4.4335 -4.4335 -4.3588 -4.3588 -3.8678 -3.8678 -3.6852 -3.6852 -3.2576 -3.2576 -3.2227 -3.2227 -2.9115 -2.9115 -2.8319 -2.8319 -2.7453 -2.7453 -2.6164 -2.6164 -2.5098 -2.5098 -1.9985 -1.9985 -1.4752 -1.4752 -1.3907 -1.3907 0.0076 0.0076 0.0498 0.0498 0.2035 0.2035 0.3182 0.3182 0.6678 0.6678 1.1176 1.1176 1.3164 1.3164 1.4377 1.4377 1.4764 1.4764 1.7871 1.7871 1.8428 1.8428 2.1555 2.1555 2.1644 2.1644 4.4619 4.4619 5.2243 5.2243 5.5712 5.5712 5.6304 5.6304 6.5784 6.5784 6.8610 6.8610 7.7387 7.7387 7.9543 7.9543 k = 0.0000-0.5044 0.2914 ( 12722 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5541 -12.5541 -9.7279 -9.7279 -9.6803 -9.6803 -9.4086 -9.4086 -9.3598 -9.3598 -9.0463 -9.0463 -8.9999 -8.9999 -6.6279 -6.6279 -5.8795 -5.8795 -5.6934 -5.6934 -4.7163 -4.7163 -4.7067 -4.7067 -4.4333 -4.4333 -4.3586 -4.3586 -3.8678 -3.8678 -3.6852 -3.6852 -3.2579 -3.2579 -3.2226 -3.2226 -2.9114 -2.9114 -2.8318 -2.8318 -2.7456 -2.7456 -2.6162 -2.6162 -2.5094 -2.5094 -1.9981 -1.9981 -1.4735 -1.4735 -1.3907 -1.3907 0.0065 0.0065 0.0512 0.0512 0.2041 0.2041 0.3174 0.3174 0.6676 0.6676 1.1088 1.1088 1.3186 1.3186 1.4325 1.4325 1.4803 1.4803 1.7770 1.7770 1.8514 1.8514 2.1512 2.1512 2.1681 2.1681 4.4634 4.4634 5.2159 5.2159 5.5689 5.5689 5.6324 5.6324 6.5849 6.5849 6.8778 6.8778 7.7401 7.7401 7.9616 7.9616 k = 0.0000-0.4850 0.2802 ( 12717 PWs) bands (ev): -17.7680 -17.7680 -15.9475 -15.9475 -12.5540 -12.5540 -9.7280 -9.7280 -9.6801 -9.6801 -9.4160 -9.4160 -9.3546 -9.3546 -9.0455 -9.0455 -8.9987 -8.9987 -6.6277 -6.6277 -5.8795 -5.8795 -5.6930 -5.6930 -4.7188 -4.7188 -4.7044 -4.7044 -4.4330 -4.4330 -4.3583 -4.3583 -3.8677 -3.8677 -3.6850 -3.6850 -3.2584 -3.2584 -3.2224 -3.2224 -2.9113 -2.9113 -2.8318 -2.8318 -2.7461 -2.7461 -2.6160 -2.6160 -2.5088 -2.5088 -1.9974 -1.9974 -1.4706 -1.4706 -1.3907 -1.3907 0.0051 0.0051 0.0529 0.0529 0.2054 0.2054 0.3160 0.3160 0.6673 0.6673 1.0948 1.0948 1.3216 1.3216 1.4261 1.4261 1.4847 1.4847 1.7645 1.7645 1.8615 1.8615 2.1468 2.1468 2.1717 2.1717 4.4660 4.4660 5.2027 5.2027 5.5648 5.5648 5.6351 5.6351 6.5964 6.5964 6.9046 6.9046 7.7426 7.7426 7.9735 7.9735 k = 0.0000-0.4656 0.2690 ( 12719 PWs) bands (ev): -17.7681 -17.7681 -15.9475 -15.9475 -12.5539 -12.5539 -9.7281 -9.7281 -9.6798 -9.6798 -9.4246 -9.4246 -9.3490 -9.3490 -9.0445 -9.0445 -8.9972 -8.9972 -6.6274 -6.6274 -5.8795 -5.8795 -5.6924 -5.6924 -4.7213 -4.7213 -4.7022 -4.7022 -4.4325 -4.4325 -4.3579 -4.3579 -3.8675 -3.8675 -3.6849 -3.6849 -3.2591 -3.2591 -3.2221 -3.2221 -2.9112 -2.9112 -2.8317 -2.8317 -2.7467 -2.7467 -2.6157 -2.6157 -2.5080 -2.5080 -1.9963 -1.9963 -1.4666 -1.4666 -1.3906 -1.3906 0.0035 0.0035 0.0543 0.0543 0.2075 0.2075 0.3142 0.3142 0.6669 0.6669 1.0762 1.0762 1.3246 1.3246 1.4198 1.4198 1.4887 1.4887 1.7512 1.7512 1.8714 1.8714 2.1423 2.1423 2.1749 2.1749 4.4698 4.4698 5.1857 5.1857 5.5584 5.5584 5.6377 5.6377 6.6139 6.6139 6.9403 6.9403 7.7465 7.7465 7.9898 7.9898 k = 0.0000-0.4462 0.2578 ( 12714 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5538 -12.5538 -9.7282 -9.7282 -9.6794 -9.6794 -9.4339 -9.4339 -9.3434 -9.3434 -9.0432 -9.0432 -8.9952 -8.9952 -6.6269 -6.6269 -5.8795 -5.8795 -5.6917 -5.6917 -4.7238 -4.7238 -4.7000 -4.7000 -4.4319 -4.4319 -4.3574 -4.3574 -3.8673 -3.8673 -3.6846 -3.6846 -3.2600 -3.2600 -3.2218 -3.2218 -2.9110 -2.9110 -2.8316 -2.8316 -2.7475 -2.7475 -2.6154 -2.6154 -2.5070 -2.5070 -1.9948 -1.9948 -1.4618 -1.4618 -1.3904 -1.3904 0.0020 0.0020 0.0547 0.0547 0.2105 0.2105 0.3121 0.3121 0.6666 0.6666 1.0539 1.0539 1.3268 1.3268 1.4146 1.4146 1.4918 1.4918 1.7380 1.7380 1.8804 1.8804 2.1377 2.1377 2.1777 2.1777 4.4750 4.4750 5.1661 5.1661 5.5495 5.5495 5.6395 5.6395 6.6378 6.6378 6.9836 6.9836 7.7519 7.7519 8.0100 8.0100 k = 0.0000-0.4268 0.2466 ( 12716 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5537 -12.5537 -9.7284 -9.7284 -9.6790 -9.6790 -9.4436 -9.4436 -9.3380 -9.3380 -9.0416 -9.0416 -8.9929 -8.9929 -6.6264 -6.6264 -5.8795 -5.8795 -5.6908 -5.6908 -4.7263 -4.7263 -4.6978 -4.6978 -4.4313 -4.4313 -4.3569 -4.3569 -3.8670 -3.8670 -3.6844 -3.6844 -3.2611 -3.2611 -3.2215 -3.2215 -2.9108 -2.9108 -2.8316 -2.8316 -2.7485 -2.7485 -2.6150 -2.6150 -2.5058 -2.5058 -1.9928 -1.9928 -1.4561 -1.4561 -1.3900 -1.3900 0.0005 0.0005 0.0537 0.0537 0.2146 0.2146 0.3099 0.3099 0.6663 0.6663 1.0285 1.0285 1.3271 1.3271 1.4112 1.4112 1.4940 1.4940 1.7252 1.7252 1.8881 1.8881 2.1330 2.1330 2.1802 2.1802 4.4818 4.4818 5.1447 5.1447 5.5376 5.5376 5.6400 5.6400 6.6684 6.6684 7.0332 7.0332 7.7591 7.7591 8.0339 8.0339 k = 0.0000-0.4074 0.2354 ( 12719 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5535 -12.5535 -9.7286 -9.7286 -9.6785 -9.6785 -9.4535 -9.4535 -9.3327 -9.3327 -9.0400 -9.0400 -8.9903 -8.9903 -6.6259 -6.6259 -5.8795 -5.8795 -5.6898 -5.6898 -4.7288 -4.7288 -4.6957 -4.6957 -4.4305 -4.4305 -4.3562 -4.3562 -3.8667 -3.8667 -3.6840 -3.6840 -3.2624 -3.2624 -3.2212 -3.2212 -2.9106 -2.9106 -2.8316 -2.8316 -2.7496 -2.7496 -2.6146 -2.6146 -2.5045 -2.5045 -1.9903 -1.9903 -1.4499 -1.4499 -1.3891 -1.3891 -0.0012 -0.0012 0.0513 0.0513 0.2194 0.2194 0.3081 0.3081 0.6662 0.6662 1.0008 1.0008 1.3251 1.3251 1.4098 1.4098 1.4954 1.4954 1.7131 1.7131 1.8944 1.8944 2.1281 2.1281 2.1823 2.1823 4.4901 4.4901 5.1224 5.1224 5.5223 5.5223 5.6391 5.6391 6.7057 6.7057 7.0881 7.0881 7.7684 7.7684 8.0609 8.0609 k = 0.0000-0.3880 0.2241 ( 12716 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5533 -12.5533 -9.7289 -9.7289 -9.6780 -9.6780 -9.4636 -9.4636 -9.3277 -9.3277 -9.0381 -9.0381 -8.9875 -8.9875 -6.6253 -6.6253 -5.8795 -5.8795 -5.6887 -5.6887 -4.7313 -4.7313 -4.6935 -4.6935 -4.4296 -4.4296 -4.3554 -4.3554 -3.8663 -3.8663 -3.6836 -3.6836 -3.2639 -3.2639 -3.2209 -3.2209 -2.9102 -2.9102 -2.8317 -2.8317 -2.7507 -2.7507 -2.6142 -2.6142 -2.5031 -2.5031 -1.9872 -1.9872 -1.4435 -1.4435 -1.3875 -1.3875 -0.0038 -0.0038 0.0477 0.0477 0.2243 0.2243 0.3073 0.3073 0.6660 0.6660 0.9714 0.9714 1.3203 1.3203 1.4102 1.4102 1.4964 1.4964 1.7019 1.7019 1.8991 1.8991 2.1231 2.1231 2.1842 2.1842 4.5000 4.5000 5.1000 5.1000 5.5035 5.5035 5.6369 5.6369 6.7491 6.7491 7.1473 7.1473 7.7798 7.7798 8.0908 8.0908 k = 0.0000-0.3686 0.2129 ( 12719 PWs) bands (ev): -17.7681 -17.7681 -15.9474 -15.9474 -12.5531 -12.5531 -9.7294 -9.7294 -9.6776 -9.6776 -9.4735 -9.4735 -9.3230 -9.3230 -9.0363 -9.0363 -8.9845 -8.9845 -6.6247 -6.6247 -5.8794 -5.8794 -5.6875 -5.6875 -4.7337 -4.7337 -4.6915 -4.6915 -4.4286 -4.4286 -4.3547 -4.3547 -3.8658 -3.8658 -3.6831 -3.6831 -3.2655 -3.2655 -3.2207 -3.2207 -2.9098 -2.9098 -2.8319 -2.8319 -2.7519 -2.7519 -2.6138 -2.6138 -2.5015 -2.5015 -1.9834 -1.9834 -1.4374 -1.4374 -1.3849 -1.3849 -0.0081 -0.0081 0.0437 0.0437 0.2284 0.2284 0.3086 0.3086 0.6658 0.6658 0.9411 0.9411 1.3128 1.3128 1.4119 1.4119 1.4976 1.4976 1.6918 1.6918 1.9023 1.9023 2.1181 2.1181 2.1859 2.1859 4.5111 4.5111 5.0780 5.0780 5.4808 5.4808 5.6338 5.6338 6.7980 6.7980 7.2098 7.2098 7.7935 7.7935 8.1229 8.1229 k = 0.0000-0.3492 0.2017 ( 12709 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5529 -12.5529 -9.7299 -9.7299 -9.6772 -9.6772 -9.4832 -9.4832 -9.3185 -9.3185 -9.0343 -9.0343 -8.9814 -8.9814 -6.6241 -6.6241 -5.8794 -5.8794 -5.6861 -5.6861 -4.7360 -4.7360 -4.6894 -4.6894 -4.4275 -4.4275 -4.3538 -4.3538 -3.8652 -3.8652 -3.6825 -3.6825 -3.2674 -3.2674 -3.2205 -3.2205 -2.9094 -2.9094 -2.8321 -2.8321 -2.7532 -2.7532 -2.6135 -2.6135 -2.4999 -2.4999 -1.9789 -1.9789 -1.4320 -1.4320 -1.3808 -1.3808 -0.0151 -0.0151 0.0404 0.0404 0.2309 0.2309 0.3127 0.3127 0.6651 0.6651 0.9106 0.9106 1.3028 1.3028 1.4141 1.4141 1.4995 1.4995 1.6827 1.6827 1.9039 1.9039 2.1131 2.1131 2.1874 2.1874 4.5232 4.5232 5.0572 5.0572 5.4543 5.4543 5.6301 5.6301 6.8516 6.8516 7.2748 7.2748 7.8095 7.8095 8.1568 8.1568 k = 0.0000-0.3298 0.1905 ( 12701 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5526 -12.5526 -9.7305 -9.7305 -9.6769 -9.6769 -9.4924 -9.4924 -9.3142 -9.3142 -9.0324 -9.0324 -8.9782 -8.9782 -6.6235 -6.6235 -5.8793 -5.8793 -5.6847 -5.6847 -4.7383 -4.7383 -4.6875 -4.6875 -4.4263 -4.4263 -4.3530 -4.3530 -3.8645 -3.8645 -3.6819 -3.6819 -3.2694 -3.2694 -3.2203 -3.2203 -2.9088 -2.9088 -2.8325 -2.8325 -2.7545 -2.7545 -2.6132 -2.6132 -2.4982 -2.4982 -1.9737 -1.9737 -1.4279 -1.4279 -1.3749 -1.3749 -0.0254 -0.0254 0.0383 0.0383 0.2312 0.2312 0.3200 0.3200 0.6636 0.6636 0.8808 0.8808 1.2903 1.2903 1.4162 1.4162 1.5027 1.5027 1.6746 1.6746 1.9039 1.9039 2.1083 2.1083 2.1889 2.1889 4.5358 4.5358 5.0380 5.0380 5.4242 5.4242 5.6260 5.6260 6.9090 6.9090 7.3416 7.3416 7.8278 7.8278 8.1918 8.1918 k = 0.0000-0.3104 0.1793 ( 12693 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5524 -12.5524 -9.7313 -9.7313 -9.6768 -9.6768 -9.5012 -9.5012 -9.3102 -9.3102 -9.0306 -9.0306 -8.9750 -8.9750 -6.6229 -6.6229 -5.8793 -5.8793 -5.6833 -5.6833 -4.7404 -4.7404 -4.6855 -4.6855 -4.4251 -4.4251 -4.3521 -4.3521 -3.8638 -3.8638 -3.6812 -3.6812 -3.2716 -3.2716 -3.2202 -3.2202 -2.9082 -2.9082 -2.8330 -2.8330 -2.7558 -2.7558 -2.6130 -2.6130 -2.4965 -2.4965 -1.9676 -1.9676 -1.4252 -1.4252 -1.3670 -1.3670 -0.0389 -0.0389 0.0375 0.0375 0.2298 0.2298 0.3300 0.3300 0.6607 0.6607 0.8527 0.8527 1.2756 1.2756 1.4181 1.4181 1.5075 1.5075 1.6676 1.6676 1.9024 1.9024 2.1040 2.1040 2.1904 2.1904 4.5482 4.5482 5.0210 5.0210 5.3910 5.3910 5.6218 5.6218 6.9693 6.9693 7.4093 7.4093 7.8482 7.8482 8.2274 8.2274 k = 0.0000-0.2910 0.1681 ( 12689 PWs) bands (ev): -17.7682 -17.7682 -15.9474 -15.9474 -12.5521 -12.5521 -9.7323 -9.7323 -9.6769 -9.6769 -9.5092 -9.5092 -9.3064 -9.3064 -9.0288 -9.0288 -8.9718 -8.9718 -6.6224 -6.6224 -5.8792 -5.8792 -5.6818 -5.6818 -4.7424 -4.7424 -4.6836 -4.6836 -4.4238 -4.4238 -4.3512 -4.3512 -3.8629 -3.8629 -3.6805 -3.6805 -3.2739 -3.2739 -3.2202 -3.2202 -2.9075 -2.9075 -2.8336 -2.8336 -2.7572 -2.7572 -2.6128 -2.6128 -2.4949 -2.4949 -1.9608 -1.9608 -1.4238 -1.4238 -1.3576 -1.3576 -0.0552 -0.0552 0.0377 0.0377 0.2273 0.2273 0.3421 0.3421 0.6553 0.6553 0.8274 0.8274 1.2587 1.2587 1.4198 1.4198 1.5139 1.5139 1.6615 1.6615 1.8996 1.8996 2.1002 2.1002 2.1919 2.1919 4.5599 4.5599 5.0065 5.0065 5.3551 5.3551 5.6177 5.6177 7.0319 7.0319 7.4774 7.4774 7.8707 7.8707 8.2627 8.2627 k = 0.0000-0.2716 0.1569 ( 12685 PWs) bands (ev): -17.7682 -17.7682 -15.9473 -15.9473 -12.5519 -12.5519 -9.7333 -9.7333 -9.6773 -9.6773 -9.5165 -9.5165 -9.3029 -9.3029 -9.0272 -9.0272 -8.9685 -8.9685 -6.6219 -6.6219 -5.8791 -5.8791 -5.6803 -5.6803 -4.7443 -4.7443 -4.6818 -4.6818 -4.4225 -4.4225 -4.3504 -4.3504 -3.8620 -3.8620 -3.6797 -3.6797 -3.2764 -3.2764 -3.2201 -3.2201 -2.9067 -2.9067 -2.8344 -2.8344 -2.7586 -2.7586 -2.6127 -2.6127 -2.4932 -2.4932 -1.9533 -1.9533 -1.4233 -1.4233 -1.3469 -1.3469 -0.0735 -0.0735 0.0384 0.0384 0.2243 0.2243 0.3555 0.3555 0.6467 0.6467 0.8061 0.8061 1.2400 1.2400 1.4214 1.4214 1.5215 1.5215 1.6564 1.6564 1.8955 1.8955 2.0971 2.0971 2.1935 2.1935 4.5702 4.5702 4.9950 4.9950 5.3171 5.3171 5.6136 5.6136 7.0959 7.0959 7.5451 7.5451 7.8950 7.8950 8.2971 8.2971 k = 0.0000-0.2522 0.1457 ( 12687 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5516 -12.5516 -9.7346 -9.7346 -9.6778 -9.6778 -9.5229 -9.5229 -9.2997 -9.2997 -9.0257 -9.0257 -8.9654 -8.9654 -6.6214 -6.6214 -5.8790 -5.8790 -5.6788 -5.6788 -4.7460 -4.7460 -4.6801 -4.6801 -4.4211 -4.4211 -4.3496 -4.3496 -3.8610 -3.8610 -3.6789 -3.6789 -3.2790 -3.2790 -3.2200 -3.2200 -2.9058 -2.9058 -2.8353 -2.8353 -2.7600 -2.7600 -2.6126 -2.6126 -2.4917 -2.4917 -1.9451 -1.9451 -1.4235 -1.4235 -1.3354 -1.3354 -0.0932 -0.0932 0.0394 0.0394 0.2209 0.2209 0.3695 0.3695 0.6343 0.6343 0.7897 0.7897 1.2198 1.2198 1.4233 1.4233 1.5299 1.5299 1.6522 1.6522 1.8904 1.8904 2.0948 2.0948 2.1951 2.1951 4.5785 4.5785 4.9867 4.9867 5.2779 5.2779 5.6097 5.6097 7.1608 7.1608 7.6119 7.6119 7.9208 7.9208 8.3296 8.3296 k = 0.0000-0.2328 0.1345 ( 12699 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5513 -12.5513 -9.7360 -9.7360 -9.6787 -9.6787 -9.5284 -9.5284 -9.2967 -9.2967 -9.0245 -9.0245 -8.9622 -8.9622 -6.6210 -6.6210 -5.8789 -5.8789 -5.6773 -5.6773 -4.7476 -4.7476 -4.6784 -4.6784 -4.4198 -4.4198 -4.3488 -4.3488 -3.8599 -3.8599 -3.6781 -3.6781 -3.2817 -3.2817 -3.2200 -3.2200 -2.9048 -2.9048 -2.8363 -2.8363 -2.7614 -2.7614 -2.6126 -2.6126 -2.4902 -2.4902 -1.9363 -1.9363 -1.4243 -1.4243 -1.3234 -1.3234 -0.1138 -0.1138 0.0404 0.0404 0.2175 0.2175 0.3836 0.3836 0.6183 0.6183 0.7782 0.7782 1.1986 1.1986 1.4256 1.4256 1.5384 1.5384 1.6492 1.6492 1.8845 1.8845 2.0933 2.0933 2.1968 2.1968 4.5844 4.5844 4.9816 4.9816 5.2381 5.2381 5.6061 5.6061 7.2259 7.2259 7.6771 7.6771 7.9477 7.9477 8.3594 8.3594 k = 0.0000-0.2134 0.1233 ( 12704 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5511 -12.5511 -9.7375 -9.7375 -9.6798 -9.6798 -9.5329 -9.5329 -9.2939 -9.2939 -9.0234 -9.0234 -8.9592 -8.9592 -6.6206 -6.6206 -5.8788 -5.8788 -5.6759 -5.6759 -4.7490 -4.7490 -4.6768 -4.6768 -4.4184 -4.4184 -4.3481 -4.3481 -3.8589 -3.8589 -3.6774 -3.6774 -3.2844 -3.2844 -3.2199 -3.2199 -2.9038 -2.9038 -2.8373 -2.8373 -2.7628 -2.7628 -2.6126 -2.6126 -2.4887 -2.4887 -1.9271 -1.9271 -1.4254 -1.4254 -1.3112 -1.3112 -0.1348 -0.1348 0.0414 0.0414 0.2139 0.2139 0.3975 0.3975 0.5999 0.5999 0.7706 0.7706 1.1767 1.1767 1.4286 1.4286 1.5462 1.5462 1.6475 1.6475 1.8781 1.8781 2.0925 2.0925 2.1986 2.1986 4.5878 4.5878 4.9793 4.9793 5.1988 5.1988 5.6026 5.6026 7.2908 7.2908 7.7399 7.7399 7.9755 7.9755 8.3858 8.3858 k = 0.0000-0.1940 0.1121 ( 12710 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5508 -12.5508 -9.7392 -9.7392 -9.6810 -9.6810 -9.5365 -9.5365 -9.2914 -9.2914 -9.0225 -9.0225 -8.9563 -8.9563 -6.6203 -6.6203 -5.8786 -5.8786 -5.6745 -5.6745 -4.7503 -4.7503 -4.6754 -4.6754 -4.4171 -4.4171 -4.3474 -4.3474 -3.8577 -3.8577 -3.6766 -3.6766 -3.2872 -3.2872 -3.2197 -3.2197 -2.9027 -2.9027 -2.8385 -2.8385 -2.7642 -2.7642 -2.6126 -2.6126 -2.4874 -2.4874 -1.9175 -1.9175 -1.4269 -1.4269 -1.2992 -1.2992 -0.1555 -0.1555 0.0425 0.0425 0.2098 0.2098 0.4109 0.4109 0.5808 0.5808 0.7659 0.7659 1.1547 1.1547 1.4324 1.4324 1.5526 1.5526 1.6477 1.6477 1.8715 1.8715 2.0923 2.0923 2.2003 2.2003 4.5887 4.5887 4.9792 4.9792 5.1607 5.1607 5.5994 5.5994 7.3549 7.3549 7.7997 7.7997 8.0038 8.0038 8.4080 8.4080 k = 0.0000-0.1746 0.1009 ( 12706 PWs) bands (ev): -17.7683 -17.7683 -15.9473 -15.9473 -12.5506 -12.5506 -9.7410 -9.7410 -9.6824 -9.6824 -9.5393 -9.5393 -9.2892 -9.2892 -9.0219 -9.0219 -8.9535 -8.9535 -6.6201 -6.6201 -5.8785 -5.8785 -5.6732 -5.6732 -4.7514 -4.7514 -4.6740 -4.6740 -4.4158 -4.4158 -4.3468 -4.3468 -3.8566 -3.8566 -3.6759 -3.6759 -3.2899 -3.2899 -3.2196 -3.2196 -2.9015 -2.9015 -2.8398 -2.8398 -2.7656 -2.7656 -2.6127 -2.6127 -2.4861 -2.4861 -1.9078 -1.9078 -1.4285 -1.4285 -1.2874 -1.2874 -0.1757 -0.1757 0.0439 0.0439 0.2049 0.2049 0.4233 0.4233 0.5624 0.5624 0.7629 0.7629 1.1332 1.1332 1.4369 1.4369 1.5568 1.5568 1.6500 1.6500 1.8649 1.8649 2.0926 2.0926 2.2020 2.2020 4.5876 4.5876 4.9802 4.9802 5.1254 5.1254 5.5965 5.5965 7.4179 7.4179 7.8552 7.8552 8.0328 8.0328 8.4254 8.4254 k = 0.0000-0.1552 0.0897 ( 12706 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5504 -12.5504 -9.7429 -9.7429 -9.6838 -9.6838 -9.5414 -9.5414 -9.2872 -9.2872 -9.0214 -9.0214 -8.9509 -8.9509 -6.6199 -6.6199 -5.8784 -5.8784 -5.6720 -5.6720 -4.7524 -4.7524 -4.6728 -4.6728 -4.4146 -4.4146 -4.3462 -4.3462 -3.8555 -3.8555 -3.6752 -3.6752 -3.2925 -3.2925 -3.2193 -3.2193 -2.9003 -2.9003 -2.8411 -2.8411 -2.7669 -2.7669 -2.6128 -2.6128 -2.4850 -2.4850 -1.8983 -1.8983 -1.4303 -1.4303 -1.2762 -1.2762 -0.1949 -0.1949 0.0457 0.0457 0.1989 0.1989 0.4345 0.4345 0.5459 0.5459 0.7609 0.7609 1.1124 1.1124 1.4422 1.4422 1.5583 1.5583 1.6546 1.6546 1.8585 1.8585 2.0932 2.0932 2.2037 2.2037 4.5848 4.5848 4.9803 4.9803 5.0945 5.0945 5.5938 5.5938 7.4791 7.4791 7.9048 7.9048 8.0628 8.0628 8.4376 8.4376 k = 0.0000-0.1358 0.0785 ( 12707 PWs) bands (ev): -17.7684 -17.7684 -15.9473 -15.9473 -12.5502 -12.5502 -9.7447 -9.7447 -9.6852 -9.6852 -9.5428 -9.5428 -9.2855 -9.2855 -9.0211 -9.0211 -8.9485 -8.9485 -6.6197 -6.6197 -5.8783 -5.8783 -5.6709 -5.6709 -4.7532 -4.7532 -4.6717 -4.6717 -4.4134 -4.4134 -4.3458 -4.3458 -3.8545 -3.8545 -3.6746 -3.6746 -3.2950 -3.2950 -3.2191 -3.2191 -2.8991 -2.8991 -2.8424 -2.8424 -2.7681 -2.7681 -2.6128 -2.6128 -2.4840 -2.4840 -1.8890 -1.8890 -1.4321 -1.4321 -1.2657 -1.2657 -0.2126 -0.2126 0.0481 0.0481 0.1916 0.1916 0.4440 0.4440 0.5325 0.5325 0.7593 0.7593 1.0930 1.0930 1.4483 1.4483 1.5571 1.5571 1.6611 1.6611 1.8524 1.8524 2.0941 2.0941 2.2053 2.2053 4.5809 4.5809 4.9768 4.9768 5.0708 5.0708 5.5914 5.5914 7.5380 7.5380 7.9467 7.9467 8.0945 8.0945 8.4444 8.4444 k = 0.0000-0.1164 0.0672 ( 12716 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5500 -12.5500 -9.7466 -9.7466 -9.6865 -9.6865 -9.5438 -9.5438 -9.2840 -9.2840 -9.0209 -9.0209 -8.9463 -8.9463 -6.6196 -6.6196 -5.8781 -5.8781 -5.6699 -5.6699 -4.7539 -4.7539 -4.6707 -4.6707 -4.4124 -4.4124 -4.3453 -4.3453 -3.8535 -3.8535 -3.6740 -3.6740 -3.2973 -3.2973 -3.2188 -3.2188 -2.8979 -2.8979 -2.8437 -2.8437 -2.7693 -2.7693 -2.6129 -2.6129 -2.4831 -2.4831 -1.8803 -1.8803 -1.4339 -1.4339 -1.2562 -1.2562 -0.2287 -0.2287 0.0513 0.0513 0.1828 0.1828 0.4513 0.4513 0.5227 0.5227 0.7578 0.7578 1.0754 1.0754 1.4552 1.4552 1.5537 1.5537 1.6688 1.6688 1.8469 1.8469 2.0951 2.0951 2.2067 2.2067 4.5764 4.5764 4.9672 4.9672 5.0567 5.0567 5.5893 5.5893 7.5940 7.5940 7.9790 7.9790 8.1288 8.1288 8.4459 8.4459 k = 0.0000-0.0970 0.0560 ( 12714 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5499 -12.5499 -9.7483 -9.7483 -9.6877 -9.6877 -9.5444 -9.5444 -9.2827 -9.2827 -9.0208 -9.0208 -8.9444 -8.9444 -6.6195 -6.6195 -5.8780 -5.8780 -5.6690 -5.6690 -4.7544 -4.7544 -4.6699 -4.6699 -4.4115 -4.4115 -4.3450 -4.3450 -3.8526 -3.8526 -3.6736 -3.6736 -3.2994 -3.2994 -3.2186 -3.2186 -2.8968 -2.8968 -2.8449 -2.8449 -2.7703 -2.7703 -2.6130 -2.6130 -2.4824 -2.4824 -1.8723 -1.8723 -1.4356 -1.4356 -1.2478 -1.2478 -0.2427 -0.2427 0.0553 0.0553 0.1728 0.1728 0.4561 0.4561 0.5168 0.5168 0.7563 0.7563 1.0598 1.0598 1.4627 1.4627 1.5484 1.5484 1.6769 1.6769 1.8419 1.8419 2.0962 2.0962 2.2079 2.2079 4.5719 4.5719 4.9524 4.9524 5.0514 5.0514 5.5875 5.5875 7.6463 7.6463 8.0011 8.0011 8.1653 8.1653 8.4426 8.4426 k = 0.0000-0.0776 0.0448 ( 12701 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5497 -12.5497 -9.7498 -9.7498 -9.6887 -9.6887 -9.5447 -9.5447 -9.2817 -9.2817 -9.0208 -9.0208 -8.9428 -8.9428 -6.6194 -6.6194 -5.8780 -5.8780 -5.6683 -5.6683 -4.7549 -4.7549 -4.6692 -4.6692 -4.4107 -4.4107 -4.3447 -4.3447 -3.8519 -3.8519 -3.6732 -3.6732 -3.3011 -3.3011 -3.2183 -3.2183 -2.8957 -2.8957 -2.8460 -2.8460 -2.7712 -2.7712 -2.6131 -2.6131 -2.4818 -2.4818 -1.8654 -1.8654 -1.4372 -1.4372 -1.2407 -1.2407 -0.2545 -0.2545 0.0603 0.0603 0.1620 0.1620 0.4586 0.4586 0.5145 0.5145 0.7548 0.7548 1.0466 1.0466 1.4708 1.4708 1.5417 1.5417 1.6847 1.6847 1.8376 1.8376 2.0972 2.0972 2.2089 2.2089 4.5677 4.5677 4.9360 4.9360 5.0512 5.0512 5.5860 5.5860 7.6937 7.6937 8.0138 8.0138 8.2024 8.2024 8.4353 8.4353 k = 0.0000-0.0582 0.0336 ( 12704 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5496 -12.5496 -9.7510 -9.7510 -9.6895 -9.6895 -9.5448 -9.5448 -9.2809 -9.2809 -9.0208 -9.0208 -8.9415 -8.9415 -6.6194 -6.6194 -5.8779 -5.8779 -5.6678 -5.6678 -4.7552 -4.7552 -4.6686 -4.6686 -4.4101 -4.4101 -4.3445 -4.3445 -3.8513 -3.8513 -3.6729 -3.6729 -3.3025 -3.3025 -3.2181 -3.2181 -2.8949 -2.8949 -2.8470 -2.8470 -2.7719 -2.7719 -2.6131 -2.6131 -2.4813 -2.4813 -1.8598 -1.8598 -1.4385 -1.4385 -1.2350 -1.2350 -0.2639 -0.2639 0.0661 0.0661 0.1510 0.1510 0.4594 0.4594 0.5146 0.5146 0.7534 0.7534 1.0361 1.0361 1.4794 1.4794 1.5341 1.5341 1.6915 1.6915 1.8341 1.8341 2.0981 2.0981 2.2097 2.2097 4.5641 4.5641 4.9213 4.9213 5.0529 5.0529 5.5849 5.5849 7.7349 7.7349 8.0191 8.0191 8.2379 8.2379 8.4247 8.4247 k = 0.0000-0.0388 0.0224 ( 12710 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7519 -9.7519 -9.6900 -9.6900 -9.5449 -9.5449 -9.2804 -9.2804 -9.0208 -9.0208 -8.9405 -8.9405 -6.6193 -6.6193 -5.8778 -5.8778 -5.6674 -5.6674 -4.7554 -4.7554 -4.6683 -4.6683 -4.4096 -4.4096 -4.3444 -4.3444 -3.8508 -3.8508 -3.6726 -3.6726 -3.3036 -3.3036 -3.2180 -3.2180 -2.8942 -2.8942 -2.8477 -2.8477 -2.7724 -2.7724 -2.6132 -2.6132 -2.4810 -2.4810 -1.8556 -1.8556 -1.4395 -1.4395 -1.2309 -1.2309 -0.2708 -0.2708 0.0721 0.0721 0.1407 0.1407 0.4594 0.4594 0.5156 0.5156 0.7523 0.7523 1.0285 1.0285 1.4882 1.4882 1.5258 1.5258 1.6968 1.6968 1.8315 1.8315 2.0987 2.0987 2.2103 2.2103 4.5613 4.5613 4.9099 4.9099 5.0548 5.0548 5.5840 5.5840 7.7677 7.7677 8.0192 8.0192 8.2693 8.2693 8.4121 8.4121 k = 0.0000-0.0194 0.0112 ( 12711 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7525 -9.7525 -9.6904 -9.6904 -9.5449 -9.5449 -9.2800 -9.2800 -9.0208 -9.0208 -8.9400 -8.9400 -6.6193 -6.6193 -5.8778 -5.8778 -5.6671 -5.6671 -4.7556 -4.7556 -4.6680 -4.6680 -4.4093 -4.4093 -4.3443 -4.3443 -3.8506 -3.8506 -3.6725 -3.6725 -3.3042 -3.3042 -3.2179 -3.2179 -2.8938 -2.8938 -2.8481 -2.8481 -2.7727 -2.7727 -2.6132 -2.6132 -2.4808 -2.4808 -1.8530 -1.8530 -1.4401 -1.4401 -1.2284 -1.2284 -0.2749 -0.2749 0.0772 0.0772 0.1330 0.1330 0.4593 0.4593 0.5166 0.5166 0.7515 0.7515 1.0238 1.0238 1.4970 1.4970 1.5173 1.5173 1.7001 1.7001 1.8298 1.8298 2.0992 2.0992 2.2106 2.2106 4.5596 4.5596 4.9028 4.9028 5.0563 5.0563 5.5835 5.5835 7.7893 7.7893 8.0173 8.0173 8.2930 8.2930 8.4002 8.4002 k = 0.0000 0.0000 0.0000 ( 12711 PWs) bands (ev): -17.7684 -17.7684 -15.9472 -15.9472 -12.5495 -12.5495 -9.7527 -9.7527 -9.6905 -9.6905 -9.5449 -9.5449 -9.2799 -9.2799 -9.0209 -9.0209 -8.9398 -8.9398 -6.6193 -6.6193 -5.8778 -5.8778 -5.6670 -5.6670 -4.7556 -4.7556 -4.6680 -4.6680 -4.4093 -4.4093 -4.3442 -4.3442 -3.8505 -3.8505 -3.6724 -3.6724 -3.3044 -3.3044 -3.2178 -3.2178 -2.8936 -2.8936 -2.8483 -2.8483 -2.7728 -2.7728 -2.6132 -2.6132 -2.4807 -2.4807 -1.8522 -1.8522 -1.4403 -1.4403 -1.2275 -1.2275 -0.2763 -0.2763 0.0793 0.0793 0.1299 0.1299 0.4592 0.4592 0.5170 0.5170 0.7513 0.7513 1.0223 1.0223 1.5031 1.5031 1.5113 1.5113 1.7013 1.7013 1.8292 1.8292 2.0993 2.0993 2.2107 2.2107 4.5590 4.5590 4.9004 4.9004 5.0568 5.0568 5.5834 5.5834 7.7970 7.7970 8.0163 8.0163 8.3025 8.3025 8.3947 8.3947 Writing output data file HgH2C2I2N.save init_run : 0.94s CPU 1.18s WALL ( 1 calls) electrons : 519.24s CPU 524.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 519.23s CPU 524.92s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.18s CPU 0.29s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.11s WALL ( 202 calls) cegterg : 488.00s CPU 492.72s WALL ( 367 calls) Called by sum_band: Called by *egterg: h_psi : 274.27s CPU 278.72s WALL ( 5675 calls) s_psi : 24.68s CPU 24.65s WALL ( 5675 calls) g_psi : 0.52s CPU 0.57s WALL ( 5106 calls) cdiaghg : 148.52s CPU 149.19s WALL ( 5308 calls) cegterg:over : 29.27s CPU 29.29s WALL ( 5106 calls) cegterg:upda : 18.60s CPU 18.62s WALL ( 5106 calls) cegterg:last : 11.99s CPU 12.01s WALL ( 1036 calls) cdiaghg:chol : 7.10s CPU 7.19s WALL ( 5308 calls) cdiaghg:inve : 5.30s CPU 5.33s WALL ( 5308 calls) cdiaghg:para : 10.60s CPU 10.67s WALL ( 10616 calls) Called by h_psi: h_psi:vloc : 227.62s CPU 231.86s WALL ( 5675 calls) h_psi:vnl : 46.01s CPU 46.25s WALL ( 5675 calls) add_vuspsi : 24.38s CPU 24.54s WALL ( 5675 calls) General routines calbec : 21.60s CPU 21.68s WALL ( 5675 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 213.04s CPU 217.11s WALL ( 1253284 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.24s CPU 0.33s WALL ( 404 calls) Parallel routines fft_scatter : 135.68s CPU 138.27s WALL ( 1253307 calls) PWSCF : 9m28.90s CPU 9m55.54s WALL This run was terminated on: 4:37:42 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=