Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 4: 6 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaRhO2.save/ file Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 34 10 944 589 96 Max 47 35 11 946 603 98 Sum 1685 1241 369 34025 21495 3471 bravais-lattice index = 14 lattice parameter (alat) = 10.3481 a.u. unit-cell volume = 290.1469 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 364.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.348143 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.840061 celldm(5)= 0.840061 celldm(6)= 0.840061 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.840061 0.542491 0.000000 ) a(3) = ( 0.840061 0.247669 0.482656 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.548525 -0.945890 ) b(2) = ( 0.000000 1.843347 -0.945890 ) b(3) = ( 0.000000 0.000000 2.071868 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rh read from file: /users/gautes/Pseudo/Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 05b2c48bcc7a2cf2a48258d60087199c Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) Rh 17.00 102.90550 Rh( 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= 392 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0083333 -0.0129044 -0.0078824), wk = 0.0025510 k( 3) = ( 0.0166667 -0.0258088 -0.0157648), wk = 0.0025510 k( 4) = ( 0.0250000 -0.0387131 -0.0236473), wk = 0.0025510 k( 5) = ( 0.0333333 -0.0516175 -0.0315297), wk = 0.0025510 k( 6) = ( 0.0416667 -0.0645219 -0.0394121), wk = 0.0025510 k( 7) = ( 0.0500000 -0.0774262 -0.0472945), wk = 0.0025510 k( 8) = ( 0.0583333 -0.0903306 -0.0551769), wk = 0.0025510 k( 9) = ( 0.0666667 -0.1032350 -0.0630594), wk = 0.0025510 k( 10) = ( 0.0750000 -0.1161394 -0.0709418), wk = 0.0025510 k( 11) = ( 0.0833333 -0.1290437 -0.0788242), wk = 0.0025510 k( 12) = ( 0.0916667 -0.1419481 -0.0867066), wk = 0.0025510 k( 13) = ( 0.1000000 -0.1548525 -0.0945890), wk = 0.0025510 k( 14) = ( 0.1083333 -0.1677569 -0.1024715), wk = 0.0025510 k( 15) = ( 0.1166667 -0.1806612 -0.1103539), wk = 0.0025510 k( 16) = ( 0.1250000 -0.1935656 -0.1182363), wk = 0.0025510 k( 17) = ( 0.1333333 -0.2064700 -0.1261187), wk = 0.0025510 k( 18) = ( 0.1416667 -0.2193744 -0.1340012), wk = 0.0025510 k( 19) = ( 0.1500000 -0.2322787 -0.1418836), wk = 0.0025510 k( 20) = ( 0.1583333 -0.2451831 -0.1497660), wk = 0.0025510 k( 21) = ( 0.1666667 -0.2580875 -0.1576484), wk = 0.0025510 k( 22) = ( 0.1750000 -0.2709919 -0.1655308), wk = 0.0025510 k( 23) = ( 0.1833333 -0.2838962 -0.1734133), wk = 0.0025510 k( 24) = ( 0.1916667 -0.2968006 -0.1812957), wk = 0.0025510 k( 25) = ( 0.2000000 -0.3097050 -0.1891781), wk = 0.0025510 k( 26) = ( 0.2083333 -0.3226094 -0.1970605), wk = 0.0025510 k( 27) = ( 0.2166667 -0.3355137 -0.2049429), wk = 0.0025510 k( 28) = ( 0.2250000 -0.3484181 -0.2128254), wk = 0.0025510 k( 29) = ( 0.2333333 -0.3613225 -0.2207078), wk = 0.0025510 k( 30) = ( 0.2416667 -0.3742269 -0.2285902), wk = 0.0025510 k( 31) = ( 0.2500000 -0.3871312 -0.2364726), wk = 0.0025510 k( 32) = ( 0.2583333 -0.4000356 -0.2443550), wk = 0.0025510 k( 33) = ( 0.2666667 -0.4129400 -0.2522375), wk = 0.0025510 k( 34) = ( 0.2750000 -0.4258444 -0.2601199), wk = 0.0025510 k( 35) = ( 0.2833333 -0.4387487 -0.2680023), wk = 0.0025510 k( 36) = ( 0.2916667 -0.4516531 -0.2758847), wk = 0.0025510 k( 37) = ( 0.3000000 -0.4645575 -0.2837671), wk = 0.0025510 k( 38) = ( 0.3083333 -0.4774618 -0.2916496), wk = 0.0025510 k( 39) = ( 0.3166667 -0.4903662 -0.2995320), wk = 0.0025510 k( 40) = ( 0.3250000 -0.5032706 -0.3074144), wk = 0.0025510 k( 41) = ( 0.3333333 -0.5161750 -0.3152968), wk = 0.0025510 k( 42) = ( 0.3416667 -0.5290794 -0.3231793), wk = 0.0025510 k( 43) = ( 0.3500000 -0.5419837 -0.3310617), wk = 0.0025510 k( 44) = ( 0.3583333 -0.5548881 -0.3389441), wk = 0.0025510 k( 45) = ( 0.3666667 -0.5677925 -0.3468265), wk = 0.0025510 k( 46) = ( 0.3750000 -0.5806968 -0.3547089), wk = 0.0025510 k( 47) = ( 0.3833333 -0.5936012 -0.3625914), wk = 0.0025510 k( 48) = ( 0.3916667 -0.6065056 -0.3704738), wk = 0.0025510 k( 49) = ( 0.4000000 -0.6194100 -0.3783562), wk = 0.0025510 k( 50) = ( 0.4083333 -0.6323143 -0.3862386), wk = 0.0025510 k( 51) = ( 0.4166667 -0.6452187 -0.3941210), wk = 0.0025510 k( 52) = ( 0.4250000 -0.6581231 -0.4020035), wk = 0.0025510 k( 53) = ( 0.4333333 -0.6710275 -0.4098859), wk = 0.0025510 k( 54) = ( 0.4416667 -0.6839319 -0.4177683), wk = 0.0025510 k( 55) = ( 0.4500000 -0.6968362 -0.4256507), wk = 0.0025510 k( 56) = ( 0.4583333 -0.7097406 -0.4335331), wk = 0.0025510 k( 57) = ( 0.4666667 -0.7226450 -0.4414156), wk = 0.0025510 k( 58) = ( 0.4750000 -0.7355493 -0.4492980), wk = 0.0025510 k( 59) = ( 0.4833333 -0.7484537 -0.4571804), wk = 0.0025510 k( 60) = ( 0.4916667 -0.7613581 -0.4650628), wk = 0.0025510 k( 61) = ( 0.5000000 -0.7742625 -0.4729452), wk = 0.0025510 k( 62) = ( 0.5000000 -0.7742625 -0.4729452), wk = 0.0025510 k( 63) = ( 0.5000000 -0.7652127 -0.4877607), wk = 0.0025510 k( 64) = ( 0.5000000 -0.7561629 -0.5025762), wk = 0.0025510 k( 65) = ( 0.5000000 -0.7471131 -0.5173917), wk = 0.0025510 k( 66) = ( 0.5000000 -0.7380633 -0.5322072), wk = 0.0025510 k( 67) = ( 0.5000000 -0.7290135 -0.5470227), wk = 0.0025510 k( 68) = ( 0.5000000 -0.7199637 -0.5618382), wk = 0.0025510 k( 69) = ( 0.5000000 -0.7109139 -0.5766537), wk = 0.0025510 k( 70) = ( 0.5000000 -0.7018641 -0.5914692), wk = 0.0025510 k( 71) = ( 0.5000000 -0.6928143 -0.6062847), wk = 0.0025510 k( 72) = ( 0.5000000 -0.6837645 -0.6211002), wk = 0.0025510 k( 73) = ( 0.5000000 -0.6747147 -0.6359157), wk = 0.0025510 k( 74) = ( 0.5000000 -0.6656649 -0.6507312), wk = 0.0025510 k( 75) = ( 0.5000000 -0.6566151 -0.6655467), wk = 0.0025510 k( 76) = ( 0.5000000 -0.6475653 -0.6803622), wk = 0.0025510 k( 77) = ( 0.5000000 -0.6385155 -0.6951777), wk = 0.0025510 k( 78) = ( 0.5000000 -0.6294657 -0.7099932), wk = 0.0025510 k( 79) = ( 0.5000000 -0.6204159 -0.7248087), wk = 0.0025510 k( 80) = ( 0.5000000 -0.6113661 -0.7396242), wk = 0.0025510 k( 81) = ( 0.5000000 -0.6023163 -0.7544397), wk = 0.0025510 k( 82) = ( 0.5000000 -0.5932665 -0.7692552), wk = 0.0025510 k( 83) = ( 0.5000000 -0.5842167 -0.7840707), wk = 0.0025510 k( 84) = ( 0.5000000 -0.5751669 -0.7988862), wk = 0.0025510 k( 85) = ( 0.5000000 -0.5661171 -0.8137017), wk = 0.0025510 k( 86) = ( 0.5000000 -0.5570673 -0.8285172), wk = 0.0025510 k( 87) = ( 0.5000000 -0.5480175 -0.8433327), wk = 0.0025510 k( 88) = ( 0.5000000 -0.5389677 -0.8581482), wk = 0.0025510 k( 89) = ( 0.5000000 -0.5299179 -0.8729637), wk = 0.0025510 k( 90) = ( 0.5000000 -0.5208681 -0.8877792), wk = 0.0025510 k( 91) = ( 0.5000000 -0.5118183 -0.9025947), wk = 0.0025510 k( 92) = ( 0.5000000 -0.5027685 -0.9174102), wk = 0.0025510 k( 93) = ( 0.5000000 -0.4937187 -0.9322257), wk = 0.0025510 k( 94) = ( 0.5000000 -0.4846689 -0.9470412), wk = 0.0025510 k( 95) = ( 0.5000000 -0.4756191 -0.9618567), wk = 0.0025510 k( 96) = ( 0.5000000 -0.4665693 -0.9766722), wk = 0.0025510 k( 97) = ( 0.5000000 -0.4575195 -0.9914877), wk = 0.0025510 k( 98) = ( 0.5000000 -0.4484697 -1.0063031), wk = 0.0025510 k( 99) = ( 0.5000000 -0.4394199 -1.0211187), wk = 0.0025510 k( 100) = ( 0.5000000 -0.4303701 -1.0359342), wk = 0.0025510 k( 101) = ( 0.8134414 -0.3379606 -0.8558468), wk = 0.0025510 k( 102) = ( 0.8085439 -0.3303766 -0.8410673), wk = 0.0025510 k( 103) = ( 0.8036463 -0.3227927 -0.8262877), wk = 0.0025510 k( 104) = ( 0.7987488 -0.3152088 -0.8115082), wk = 0.0025510 k( 105) = ( 0.7938513 -0.3076249 -0.7967287), wk = 0.0025510 k( 106) = ( 0.7889538 -0.3000409 -0.7819491), wk = 0.0025510 k( 107) = ( 0.7840563 -0.2924570 -0.7671696), wk = 0.0025510 k( 108) = ( 0.7791587 -0.2848730 -0.7523900), wk = 0.0025510 k( 109) = ( 0.7742612 -0.2772891 -0.7376105), wk = 0.0025510 k( 110) = ( 0.7693637 -0.2697052 -0.7228310), wk = 0.0025510 k( 111) = ( 0.7644662 -0.2621212 -0.7080514), wk = 0.0025510 k( 112) = ( 0.7595686 -0.2545373 -0.6932719), wk = 0.0025510 k( 113) = ( 0.7546711 -0.2469534 -0.6784923), wk = 0.0025510 k( 114) = ( 0.7497736 -0.2393694 -0.6637128), wk = 0.0025510 k( 115) = ( 0.7448761 -0.2317855 -0.6489333), wk = 0.0025510 k( 116) = ( 0.7399786 -0.2242016 -0.6341537), wk = 0.0025510 k( 117) = ( 0.7350810 -0.2166176 -0.6193742), wk = 0.0025510 k( 118) = ( 0.7301835 -0.2090337 -0.6045947), wk = 0.0025510 k( 119) = ( 0.7252860 -0.2014498 -0.5898151), wk = 0.0025510 k( 120) = ( 0.7203885 -0.1938658 -0.5750356), wk = 0.0025510 k( 121) = ( 0.7154909 -0.1862819 -0.5602560), wk = 0.0025510 k( 122) = ( 0.7105934 -0.1786980 -0.5454765), wk = 0.0025510 k( 123) = ( 0.7056959 -0.1711140 -0.5306970), wk = 0.0025510 k( 124) = ( 0.7007984 -0.1635301 -0.5159174), wk = 0.0025510 k( 125) = ( 0.6959009 -0.1559462 -0.5011379), wk = 0.0025510 k( 126) = ( 0.6910033 -0.1483622 -0.4863583), wk = 0.0025510 k( 127) = ( 0.6861058 -0.1407783 -0.4715788), wk = 0.0025510 k( 128) = ( 0.6812083 -0.1331944 -0.4567993), wk = 0.0025510 k( 129) = ( 0.6763108 -0.1256104 -0.4420197), wk = 0.0025510 k( 130) = ( 0.6714133 -0.1180265 -0.4272402), wk = 0.0025510 k( 131) = ( 0.6665157 -0.1104425 -0.4124606), wk = 0.0025510 k( 132) = ( 0.6616182 -0.1028586 -0.3976811), wk = 0.0025510 k( 133) = ( 0.6567207 -0.0952747 -0.3829016), wk = 0.0025510 k( 134) = ( 0.6518232 -0.0876908 -0.3681220), wk = 0.0025510 k( 135) = ( 0.6469257 -0.0801068 -0.3533425), wk = 0.0025510 k( 136) = ( 0.6420281 -0.0725229 -0.3385630), wk = 0.0025510 k( 137) = ( 0.6371306 -0.0649389 -0.3237834), wk = 0.0025510 k( 138) = ( 0.6322331 -0.0573550 -0.3090039), wk = 0.0025510 k( 139) = ( 0.6273356 -0.0497711 -0.2942243), wk = 0.0025510 k( 140) = ( 0.6224380 -0.0421871 -0.2794448), wk = 0.0025510 k( 141) = ( 0.6175405 -0.0346032 -0.2646653), wk = 0.0025510 k( 142) = ( 0.6126430 -0.0270193 -0.2498857), wk = 0.0025510 k( 143) = ( 0.6077455 -0.0194354 -0.2351062), wk = 0.0025510 k( 144) = ( 0.6028480 -0.0118514 -0.2203266), wk = 0.0025510 k( 145) = ( 0.5979504 -0.0042675 -0.2055471), wk = 0.0025510 k( 146) = ( 0.5930529 0.0033165 -0.1907676), wk = 0.0025510 k( 147) = ( 0.5881554 0.0109004 -0.1759880), wk = 0.0025510 k( 148) = ( 0.5832579 0.0184843 -0.1612085), wk = 0.0025510 k( 149) = ( 0.5783603 0.0260683 -0.1464290), wk = 0.0025510 k( 150) = ( 0.5734628 0.0336522 -0.1316494), wk = 0.0025510 k( 151) = ( 0.5685653 0.0412361 -0.1168699), wk = 0.0025510 k( 152) = ( 0.5636678 0.0488201 -0.1020903), wk = 0.0025510 k( 153) = ( 0.5587703 0.0564040 -0.0873108), wk = 0.0025510 k( 154) = ( 0.5538727 0.0639879 -0.0725313), wk = 0.0025510 k( 155) = ( 0.5489752 0.0715719 -0.0577517), wk = 0.0025510 k( 156) = ( 0.5440777 0.0791558 -0.0429722), wk = 0.0025510 k( 157) = ( 0.5391802 0.0867397 -0.0281926), wk = 0.0025510 k( 158) = ( 0.5342826 0.0943237 -0.0134131), wk = 0.0025510 k( 159) = ( 0.5293851 0.1019076 0.0013664), wk = 0.0025510 k( 160) = ( 0.5244876 0.1094915 0.0161460), wk = 0.0025510 k( 161) = ( 0.5195901 0.1170755 0.0309255), wk = 0.0025510 k( 162) = ( 0.5146926 0.1246594 0.0457051), wk = 0.0025510 k( 163) = ( 0.5097950 0.1322433 0.0604846), wk = 0.0025510 k( 164) = ( 0.5048975 0.1398273 0.0752641), wk = 0.0025510 k( 165) = ( 0.5000000 0.1474112 0.0900437), wk = 0.0025510 k( 166) = ( 0.5000000 0.1474112 0.0900437), wk = 0.0025510 k( 167) = ( 0.4838710 0.1426560 0.0871390), wk = 0.0025510 k( 168) = ( 0.4677419 0.1379008 0.0842344), wk = 0.0025510 k( 169) = ( 0.4516129 0.1331456 0.0813298), wk = 0.0025510 k( 170) = ( 0.4354839 0.1283904 0.0784251), wk = 0.0025510 k( 171) = ( 0.4193548 0.1236352 0.0755205), wk = 0.0025510 k( 172) = ( 0.4032258 0.1188800 0.0726159), wk = 0.0025510 k( 173) = ( 0.3870968 0.1141248 0.0697112), wk = 0.0025510 k( 174) = ( 0.3709677 0.1093696 0.0668066), wk = 0.0025510 k( 175) = ( 0.3548387 0.1046144 0.0639020), wk = 0.0025510 k( 176) = ( 0.3387097 0.0998592 0.0609973), wk = 0.0025510 k( 177) = ( 0.3225807 0.0951040 0.0580927), wk = 0.0025510 k( 178) = ( 0.3064516 0.0903488 0.0551881), wk = 0.0025510 k( 179) = ( 0.2903226 0.0855936 0.0522834), wk = 0.0025510 k( 180) = ( 0.2741936 0.0808384 0.0493788), wk = 0.0025510 k( 181) = ( 0.2580645 0.0760832 0.0464742), wk = 0.0025510 k( 182) = ( 0.2419355 0.0713280 0.0435695), wk = 0.0025510 k( 183) = ( 0.2258064 0.0665728 0.0406649), wk = 0.0025510 k( 184) = ( 0.2096774 0.0618176 0.0377602), wk = 0.0025510 k( 185) = ( 0.1935484 0.0570624 0.0348556), wk = 0.0025510 k( 186) = ( 0.1774194 0.0523072 0.0319510), wk = 0.0025510 k( 187) = ( 0.1612903 0.0475520 0.0290463), wk = 0.0025510 k( 188) = ( 0.1451613 0.0427968 0.0261417), wk = 0.0025510 k( 189) = ( 0.1290323 0.0380416 0.0232371), wk = 0.0025510 k( 190) = ( 0.1129032 0.0332864 0.0203324), wk = 0.0025510 k( 191) = ( 0.0967742 0.0285312 0.0174278), wk = 0.0025510 k( 192) = ( 0.0806452 0.0237760 0.0145232), wk = 0.0025510 k( 193) = ( 0.0645161 0.0190208 0.0116185), wk = 0.0025510 k( 194) = ( 0.0483871 0.0142656 0.0087139), wk = 0.0025510 k( 195) = ( 0.0322581 0.0095104 0.0058093), wk = 0.0025510 k( 196) = ( 0.0161290 0.0047552 0.0029046), wk = 0.0025510 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 199) = ( 0.0049040 -0.0075940 -0.0147991), wk = 0.0025510 k( 200) = ( 0.0098080 -0.0151879 -0.0295981), wk = 0.0025510 k( 201) = ( 0.0147120 -0.0227819 -0.0443972), wk = 0.0025510 k( 202) = ( 0.0196160 -0.0303758 -0.0591962), wk = 0.0025510 k( 203) = ( 0.0245199 -0.0379698 -0.0739953), wk = 0.0025510 k( 204) = ( 0.0294239 -0.0455637 -0.0887944), wk = 0.0025510 k( 205) = ( 0.0343279 -0.0531577 -0.1035934), wk = 0.0025510 k( 206) = ( 0.0392319 -0.0607516 -0.1183925), wk = 0.0025510 k( 207) = ( 0.0441359 -0.0683456 -0.1331915), wk = 0.0025510 k( 208) = ( 0.0490399 -0.0759395 -0.1479906), wk = 0.0025510 k( 209) = ( 0.0539439 -0.0835335 -0.1627896), wk = 0.0025510 k( 210) = ( 0.0588479 -0.0911274 -0.1775887), wk = 0.0025510 k( 211) = ( 0.0637519 -0.0987214 -0.1923878), wk = 0.0025510 k( 212) = ( 0.0686559 -0.1063153 -0.2071868), wk = 0.0025510 k( 213) = ( 0.0735598 -0.1139093 -0.2219859), wk = 0.0025510 k( 214) = ( 0.0784638 -0.1215032 -0.2367849), wk = 0.0025510 k( 215) = ( 0.0833678 -0.1290972 -0.2515840), wk = 0.0025510 k( 216) = ( 0.0882718 -0.1366911 -0.2663831), wk = 0.0025510 k( 217) = ( 0.0931758 -0.1442851 -0.2811821), wk = 0.0025510 k( 218) = ( 0.0980798 -0.1518790 -0.2959812), wk = 0.0025510 k( 219) = ( 0.1029838 -0.1594730 -0.3107802), wk = 0.0025510 k( 220) = ( 0.1078878 -0.1670669 -0.3255793), wk = 0.0025510 k( 221) = ( 0.1127918 -0.1746609 -0.3403784), wk = 0.0025510 k( 222) = ( 0.1176958 -0.1822548 -0.3551774), wk = 0.0025510 k( 223) = ( 0.1225997 -0.1898488 -0.3699765), wk = 0.0025510 k( 224) = ( 0.1275037 -0.1974427 -0.3847755), wk = 0.0025510 k( 225) = ( 0.1324077 -0.2050367 -0.3995746), wk = 0.0025510 k( 226) = ( 0.1373117 -0.2126306 -0.4143737), wk = 0.0025510 k( 227) = ( 0.1422157 -0.2202246 -0.4291727), wk = 0.0025510 k( 228) = ( 0.1471197 -0.2278185 -0.4439718), wk = 0.0025510 k( 229) = ( 0.1520237 -0.2354125 -0.4587708), wk = 0.0025510 k( 230) = ( 0.1569277 -0.2430064 -0.4735699), wk = 0.0025510 k( 231) = ( 0.1618317 -0.2506004 -0.4883689), wk = 0.0025510 k( 232) = ( 0.1667357 -0.2581943 -0.5031680), wk = 0.0025510 k( 233) = ( 0.1716397 -0.2657883 -0.5179671), wk = 0.0025510 k( 234) = ( 0.1765436 -0.2733822 -0.5327661), wk = 0.0025510 k( 235) = ( 0.1814476 -0.2809762 -0.5475652), wk = 0.0025510 k( 236) = ( 0.1863516 -0.2885701 -0.5623642), wk = 0.0025510 k( 237) = ( 0.1912556 -0.2961641 -0.5771633), wk = 0.0025510 k( 238) = ( 0.1961596 -0.3037580 -0.5919624), wk = 0.0025510 k( 239) = ( 0.2010636 -0.3113520 -0.6067614), wk = 0.0025510 k( 240) = ( 0.2059676 -0.3189459 -0.6215605), wk = 0.0025510 k( 241) = ( 0.2108716 -0.3265399 -0.6363596), wk = 0.0025510 k( 242) = ( 0.2157756 -0.3341339 -0.6511586), wk = 0.0025510 k( 243) = ( 0.2206796 -0.3417278 -0.6659577), wk = 0.0025510 k( 244) = ( 0.2255835 -0.3493218 -0.6807567), wk = 0.0025510 k( 245) = ( 0.2304875 -0.3569157 -0.6955558), wk = 0.0025510 k( 246) = ( 0.2353915 -0.3645097 -0.7103549), wk = 0.0025510 k( 247) = ( 0.2402955 -0.3721036 -0.7251539), wk = 0.0025510 k( 248) = ( 0.2451995 -0.3796976 -0.7399530), wk = 0.0025510 k( 249) = ( 0.2501035 -0.3872915 -0.7547520), wk = 0.0025510 k( 250) = ( 0.2550075 -0.3948855 -0.7695511), wk = 0.0025510 k( 251) = ( 0.2599115 -0.4024794 -0.7843502), wk = 0.0025510 k( 252) = ( 0.2648155 -0.4100734 -0.7991492), wk = 0.0025510 k( 253) = ( 0.2697195 -0.4176673 -0.8139483), wk = 0.0025510 k( 254) = ( 0.2746234 -0.4252613 -0.8287473), wk = 0.0025510 k( 255) = ( 0.2795274 -0.4328552 -0.8435464), wk = 0.0025510 k( 256) = ( 0.2844314 -0.4404492 -0.8583454), wk = 0.0025510 k( 257) = ( 0.2893354 -0.4480431 -0.8731445), wk = 0.0025510 k( 258) = ( 0.2942394 -0.4556371 -0.8879436), wk = 0.0025510 k( 259) = ( 0.2991434 -0.4632310 -0.9027426), wk = 0.0025510 k( 260) = ( 0.3040474 -0.4708250 -0.9175417), wk = 0.0025510 k( 261) = ( 0.3089514 -0.4784189 -0.9323407), wk = 0.0025510 k( 262) = ( 0.3138554 -0.4860129 -0.9471398), wk = 0.0025510 k( 263) = ( 0.3187594 -0.4936068 -0.9619389), wk = 0.0025510 k( 264) = ( 0.3236634 -0.5012008 -0.9767379), wk = 0.0025510 k( 265) = ( 0.3285673 -0.5087947 -0.9915370), wk = 0.0025510 k( 266) = ( 0.3334713 -0.5163887 -1.0063360), wk = 0.0025510 k( 267) = ( 0.3383753 -0.5239826 -1.0211351), wk = 0.0025510 k( 268) = ( 0.3432793 -0.5315766 -1.0359342), wk = 0.0025510 k( 269) = ( 0.6567207 -0.3841654 -0.9458905), wk = 0.0025510 k( 270) = ( 0.6518232 -0.3675536 -0.9458905), wk = 0.0025510 k( 271) = ( 0.6469257 -0.3509418 -0.9458905), wk = 0.0025510 k( 272) = ( 0.6420281 -0.3343301 -0.9458905), wk = 0.0025510 k( 273) = ( 0.6371306 -0.3177183 -0.9458905), wk = 0.0025510 k( 274) = ( 0.6322331 -0.3011065 -0.9458905), wk = 0.0025510 k( 275) = ( 0.6273356 -0.2844947 -0.9458905), wk = 0.0025510 k( 276) = ( 0.6224380 -0.2678830 -0.9458905), wk = 0.0025510 k( 277) = ( 0.6175405 -0.2512712 -0.9458905), wk = 0.0025510 k( 278) = ( 0.6126430 -0.2346595 -0.9458905), wk = 0.0025510 k( 279) = ( 0.6077455 -0.2180477 -0.9458905), wk = 0.0025510 k( 280) = ( 0.6028480 -0.2014359 -0.9458905), wk = 0.0025510 k( 281) = ( 0.5979504 -0.1848241 -0.9458905), wk = 0.0025510 k( 282) = ( 0.5930529 -0.1682124 -0.9458905), wk = 0.0025510 k( 283) = ( 0.5881554 -0.1516006 -0.9458905), wk = 0.0025510 k( 284) = ( 0.5832579 -0.1349889 -0.9458905), wk = 0.0025510 k( 285) = ( 0.5783603 -0.1183771 -0.9458905), wk = 0.0025510 k( 286) = ( 0.5734628 -0.1017653 -0.9458905), wk = 0.0025510 k( 287) = ( 0.5685653 -0.0851535 -0.9458905), wk = 0.0025510 k( 288) = ( 0.5636678 -0.0685418 -0.9458905), wk = 0.0025510 k( 289) = ( 0.5587703 -0.0519300 -0.9458905), wk = 0.0025510 k( 290) = ( 0.5538727 -0.0353182 -0.9458905), wk = 0.0025510 k( 291) = ( 0.5489752 -0.0187065 -0.9458905), wk = 0.0025510 k( 292) = ( 0.5440777 -0.0020947 -0.9458905), wk = 0.0025510 k( 293) = ( 0.5391802 0.0145171 -0.9458905), wk = 0.0025510 k( 294) = ( 0.5342826 0.0311288 -0.9458905), wk = 0.0025510 k( 295) = ( 0.5293851 0.0477406 -0.9458905), wk = 0.0025510 k( 296) = ( 0.5244876 0.0643524 -0.9458905), wk = 0.0025510 k( 297) = ( 0.5195901 0.0809641 -0.9458905), wk = 0.0025510 k( 298) = ( 0.5146926 0.0975759 -0.9458905), wk = 0.0025510 k( 299) = ( 0.5097950 0.1141877 -0.9458905), wk = 0.0025510 k( 300) = ( 0.5048975 0.1307994 -0.9458905), wk = 0.0025510 k( 301) = ( 0.5000000 0.1474112 -0.9458905), wk = 0.0025510 k( 302) = ( 0.5000000 0.1474112 -0.9458905), wk = 0.0025510 k( 303) = ( 0.5142473 0.1516116 -0.9377047), wk = 0.0025510 k( 304) = ( 0.5284947 0.1558121 -0.9295189), wk = 0.0025510 k( 305) = ( 0.5427420 0.1600125 -0.9213331), wk = 0.0025510 k( 306) = ( 0.5569893 0.1642129 -0.9131473), wk = 0.0025510 k( 307) = ( 0.5712367 0.1684134 -0.9049616), wk = 0.0025510 k( 308) = ( 0.5854840 0.1726138 -0.8967757), wk = 0.0025510 k( 309) = ( 0.5997313 0.1768142 -0.8885900), wk = 0.0025510 k( 310) = ( 0.6139787 0.1810147 -0.8804042), wk = 0.0025510 k( 311) = ( 0.6282260 0.1852151 -0.8722184), wk = 0.0025510 k( 312) = ( 0.6424734 0.1894156 -0.8640326), wk = 0.0025510 k( 313) = ( 0.6567207 0.1936160 -0.8558468), wk = 0.0025510 k( 314) = ( 0.6567207 0.1936160 -0.8558468), wk = 0.0025510 k( 315) = ( 0.6539221 0.1927909 -0.8389559), wk = 0.0025510 k( 316) = ( 0.6511235 0.1919658 -0.8220650), wk = 0.0025510 k( 317) = ( 0.6483249 0.1911407 -0.8051741), wk = 0.0025510 k( 318) = ( 0.6455264 0.1903156 -0.7882832), wk = 0.0025510 k( 319) = ( 0.6427278 0.1894906 -0.7713923), wk = 0.0025510 k( 320) = ( 0.6399292 0.1886655 -0.7545014), wk = 0.0025510 k( 321) = ( 0.6371306 0.1878404 -0.7376105), wk = 0.0025510 k( 322) = ( 0.6343320 0.1870153 -0.7207196), wk = 0.0025510 k( 323) = ( 0.6315334 0.1861902 -0.7038287), wk = 0.0025510 k( 324) = ( 0.6287348 0.1853651 -0.6869378), wk = 0.0025510 k( 325) = ( 0.6259363 0.1845400 -0.6700469), wk = 0.0025510 k( 326) = ( 0.6231377 0.1837150 -0.6531560), wk = 0.0025510 k( 327) = ( 0.6203391 0.1828899 -0.6362651), wk = 0.0025510 k( 328) = ( 0.6175405 0.1820648 -0.6193742), wk = 0.0025510 k( 329) = ( 0.6147419 0.1812397 -0.6024833), wk = 0.0025510 k( 330) = ( 0.6119433 0.1804146 -0.5855924), wk = 0.0025510 k( 331) = ( 0.6091448 0.1795895 -0.5687015), wk = 0.0025510 k( 332) = ( 0.6063462 0.1787644 -0.5518106), wk = 0.0025510 k( 333) = ( 0.6035476 0.1779394 -0.5349197), wk = 0.0025510 k( 334) = ( 0.6007490 0.1771143 -0.5180288), wk = 0.0025510 k( 335) = ( 0.5979504 0.1762892 -0.5011379), wk = 0.0025510 k( 336) = ( 0.5951519 0.1754641 -0.4842470), wk = 0.0025510 k( 337) = ( 0.5923533 0.1746390 -0.4673561), wk = 0.0025510 k( 338) = ( 0.5895547 0.1738139 -0.4504652), wk = 0.0025510 k( 339) = ( 0.5867561 0.1729889 -0.4335743), wk = 0.0025510 k( 340) = ( 0.5839575 0.1721638 -0.4166834), wk = 0.0025510 k( 341) = ( 0.5811589 0.1713387 -0.3997925), wk = 0.0025510 k( 342) = ( 0.5783603 0.1705136 -0.3829016), wk = 0.0025510 k( 343) = ( 0.5755618 0.1696885 -0.3660107), wk = 0.0025510 k( 344) = ( 0.5727632 0.1688634 -0.3491198), wk = 0.0025510 k( 345) = ( 0.5699646 0.1680383 -0.3322289), wk = 0.0025510 k( 346) = ( 0.5671660 0.1672133 -0.3153380), wk = 0.0025510 k( 347) = ( 0.5643674 0.1663882 -0.2984471), wk = 0.0025510 k( 348) = ( 0.5615688 0.1655631 -0.2815562), wk = 0.0025510 k( 349) = ( 0.5587703 0.1647380 -0.2646653), wk = 0.0025510 k( 350) = ( 0.5559717 0.1639129 -0.2477744), wk = 0.0025510 k( 351) = ( 0.5531731 0.1630878 -0.2308835), wk = 0.0025510 k( 352) = ( 0.5503745 0.1622627 -0.2139926), wk = 0.0025510 k( 353) = ( 0.5475759 0.1614377 -0.1971017), wk = 0.0025510 k( 354) = ( 0.5447773 0.1606126 -0.1802108), wk = 0.0025510 k( 355) = ( 0.5419788 0.1597875 -0.1633199), wk = 0.0025510 k( 356) = ( 0.5391802 0.1589624 -0.1464290), wk = 0.0025510 k( 357) = ( 0.5363816 0.1581373 -0.1295381), wk = 0.0025510 k( 358) = ( 0.5335830 0.1573122 -0.1126472), wk = 0.0025510 k( 359) = ( 0.5307844 0.1564871 -0.0957562), wk = 0.0025510 k( 360) = ( 0.5279858 0.1556621 -0.0788654), wk = 0.0025510 k( 361) = ( 0.5251872 0.1548370 -0.0619744), wk = 0.0025510 k( 362) = ( 0.5223887 0.1540119 -0.0450835), wk = 0.0025510 k( 363) = ( 0.5195901 0.1531868 -0.0281926), wk = 0.0025510 k( 364) = ( 0.5167915 0.1523617 -0.0113017), wk = 0.0025510 k( 365) = ( 0.5139929 0.1515366 0.0055892), wk = 0.0025510 k( 366) = ( 0.5111943 0.1507116 0.0224801), wk = 0.0025510 k( 367) = ( 0.5083958 0.1498865 0.0393710), wk = 0.0025510 k( 368) = ( 0.5055972 0.1490614 0.0562618), wk = 0.0025510 k( 369) = ( 0.5027986 0.1482363 0.0731528), wk = 0.0025510 k( 370) = ( 0.5000000 0.1474112 0.0900437), wk = 0.0025510 k( 371) = ( 0.5000000 -0.7742625 -0.4729452), wk = 0.0025510 k( 372) = ( 0.5149258 -0.7672429 -0.4686575), wk = 0.0025510 k( 373) = ( 0.5298516 -0.7602233 -0.4643697), wk = 0.0025510 k( 374) = ( 0.5447773 -0.7532037 -0.4600819), wk = 0.0025510 k( 375) = ( 0.5597031 -0.7461841 -0.4557941), wk = 0.0025510 k( 376) = ( 0.5746289 -0.7391646 -0.4515063), wk = 0.0025510 k( 377) = ( 0.5895547 -0.7321450 -0.4472185), wk = 0.0025510 k( 378) = ( 0.6044805 -0.7251254 -0.4429307), wk = 0.0025510 k( 379) = ( 0.6194062 -0.7181058 -0.4386429), wk = 0.0025510 k( 380) = ( 0.6343320 -0.7110862 -0.4343551), wk = 0.0025510 k( 381) = ( 0.6492578 -0.7040666 -0.4300673), wk = 0.0025510 k( 382) = ( 0.6641836 -0.6970471 -0.4257795), wk = 0.0025510 k( 383) = ( 0.6791094 -0.6900275 -0.4214917), wk = 0.0025510 k( 384) = ( 0.6940351 -0.6830079 -0.4172039), wk = 0.0025510 k( 385) = ( 0.7089609 -0.6759883 -0.4129161), wk = 0.0025510 k( 386) = ( 0.7238867 -0.6689687 -0.4086283), wk = 0.0025510 k( 387) = ( 0.7388125 -0.6619492 -0.4043405), wk = 0.0025510 k( 388) = ( 0.7537383 -0.6549296 -0.4000528), wk = 0.0025510 k( 389) = ( 0.7686640 -0.6479100 -0.3957650), wk = 0.0025510 k( 390) = ( 0.7835898 -0.6408904 -0.3914772), wk = 0.0025510 k( 391) = ( 0.7985156 -0.6338708 -0.3871894), wk = 0.0025510 k( 392) = ( 0.8134414 -0.6268513 -0.3829016), wk = 0.0025510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0083333 0.0000000 0.0000000), wk = 0.0025510 k( 3) = ( 0.0166667 0.0000000 0.0000000), wk = 0.0025510 k( 4) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0025510 k( 5) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0025510 k( 6) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0025510 k( 7) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0025510 k( 8) = ( 0.0583333 0.0000000 0.0000000), wk = 0.0025510 k( 9) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0025510 k( 10) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0025510 k( 11) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0025510 k( 12) = ( 0.0916667 0.0000000 0.0000000), wk = 0.0025510 k( 13) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0025510 k( 14) = ( 0.1083333 0.0000000 0.0000000), wk = 0.0025510 k( 15) = ( 0.1166667 0.0000000 0.0000000), wk = 0.0025510 k( 16) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0025510 k( 17) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0025510 k( 18) = ( 0.1416667 0.0000000 0.0000000), wk = 0.0025510 k( 19) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0025510 k( 20) = ( 0.1583333 0.0000000 0.0000000), wk = 0.0025510 k( 21) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0025510 k( 22) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0025510 k( 23) = ( 0.1833333 0.0000000 0.0000000), wk = 0.0025510 k( 24) = ( 0.1916667 -0.0000000 0.0000000), wk = 0.0025510 k( 25) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0025510 k( 26) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0025510 k( 27) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0025510 k( 28) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0025510 k( 29) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0025510 k( 30) = ( 0.2416667 0.0000000 0.0000000), wk = 0.0025510 k( 31) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0025510 k( 32) = ( 0.2583333 0.0000000 0.0000000), wk = 0.0025510 k( 33) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0025510 k( 34) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0025510 k( 35) = ( 0.2833333 0.0000000 0.0000000), wk = 0.0025510 k( 36) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0025510 k( 37) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0025510 k( 38) = ( 0.3083333 0.0000000 0.0000000), wk = 0.0025510 k( 39) = ( 0.3166667 0.0000000 0.0000000), wk = 0.0025510 k( 40) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0025510 k( 41) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0025510 k( 42) = ( 0.3416667 0.0000000 0.0000000), wk = 0.0025510 k( 43) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0025510 k( 44) = ( 0.3583333 0.0000000 0.0000000), wk = 0.0025510 k( 45) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0025510 k( 46) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0025510 k( 47) = ( 0.3833333 0.0000000 0.0000000), wk = 0.0025510 k( 48) = ( 0.3916667 0.0000000 0.0000000), wk = 0.0025510 k( 49) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0025510 k( 50) = ( 0.4083333 0.0000000 0.0000000), wk = 0.0025510 k( 51) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0025510 k( 52) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0025510 k( 53) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0025510 k( 54) = ( 0.4416667 0.0000000 0.0000000), wk = 0.0025510 k( 55) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0025510 k( 56) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0025510 k( 57) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0025510 k( 58) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0025510 k( 59) = ( 0.4833333 0.0000000 0.0000000), wk = 0.0025510 k( 60) = ( 0.4916667 0.0000000 0.0000000), wk = 0.0025510 k( 61) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025510 k( 62) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025510 k( 63) = ( 0.5000000 0.0049094 -0.0049094), wk = 0.0025510 k( 64) = ( 0.5000000 0.0098189 -0.0098189), wk = 0.0025510 k( 65) = ( 0.5000000 0.0147283 -0.0147283), wk = 0.0025510 k( 66) = ( 0.5000000 0.0196378 -0.0196377), wk = 0.0025510 k( 67) = ( 0.5000000 0.0245472 -0.0245472), wk = 0.0025510 k( 68) = ( 0.5000000 0.0294566 -0.0294566), wk = 0.0025510 k( 69) = ( 0.5000000 0.0343661 -0.0343661), wk = 0.0025510 k( 70) = ( 0.5000000 0.0392755 -0.0392755), wk = 0.0025510 k( 71) = ( 0.5000000 0.0441849 -0.0441849), wk = 0.0025510 k( 72) = ( 0.5000000 0.0490944 -0.0490944), wk = 0.0025510 k( 73) = ( 0.5000000 0.0540038 -0.0540038), wk = 0.0025510 k( 74) = ( 0.5000000 0.0589133 -0.0589132), wk = 0.0025510 k( 75) = ( 0.5000000 0.0638227 -0.0638227), wk = 0.0025510 k( 76) = ( 0.5000000 0.0687321 -0.0687321), wk = 0.0025510 k( 77) = ( 0.5000000 0.0736416 -0.0736416), wk = 0.0025510 k( 78) = ( 0.5000000 0.0785510 -0.0785510), wk = 0.0025510 k( 79) = ( 0.5000000 0.0834604 -0.0834604), wk = 0.0025510 k( 80) = ( 0.5000000 0.0883699 -0.0883699), wk = 0.0025510 k( 81) = ( 0.5000000 0.0932793 -0.0932793), wk = 0.0025510 k( 82) = ( 0.5000000 0.0981888 -0.0981887), wk = 0.0025510 k( 83) = ( 0.5000000 0.1030982 -0.1030982), wk = 0.0025510 k( 84) = ( 0.5000000 0.1080076 -0.1080076), wk = 0.0025510 k( 85) = ( 0.5000000 0.1129171 -0.1129171), wk = 0.0025510 k( 86) = ( 0.5000000 0.1178265 -0.1178265), wk = 0.0025510 k( 87) = ( 0.5000000 0.1227359 -0.1227359), wk = 0.0025510 k( 88) = ( 0.5000000 0.1276454 -0.1276454), wk = 0.0025510 k( 89) = ( 0.5000000 0.1325548 -0.1325548), wk = 0.0025510 k( 90) = ( 0.5000000 0.1374642 -0.1374642), wk = 0.0025510 k( 91) = ( 0.5000000 0.1423737 -0.1423737), wk = 0.0025510 k( 92) = ( 0.5000000 0.1472831 -0.1472831), wk = 0.0025510 k( 93) = ( 0.5000000 0.1521926 -0.1521926), wk = 0.0025510 k( 94) = ( 0.5000000 0.1571020 -0.1571020), wk = 0.0025510 k( 95) = ( 0.5000000 0.1620114 -0.1620114), wk = 0.0025510 k( 96) = ( 0.5000000 0.1669209 -0.1669209), wk = 0.0025510 k( 97) = ( 0.5000000 0.1718303 -0.1718303), wk = 0.0025510 k( 98) = ( 0.5000000 0.1767397 -0.1767397), wk = 0.0025510 k( 99) = ( 0.5000000 0.1816492 -0.1816492), wk = 0.0025510 k( 100) = ( 0.5000000 0.1865586 -0.1865586), wk = 0.0025510 k( 101) = ( 0.8134414 0.5000000 0.1865586), wk = 0.0025510 k( 102) = ( 0.8085439 0.5000000 0.1914561), wk = 0.0025510 k( 103) = ( 0.8036463 0.5000000 0.1963537), wk = 0.0025510 k( 104) = ( 0.7987488 0.5000000 0.2012512), wk = 0.0025510 k( 105) = ( 0.7938513 0.5000000 0.2061487), wk = 0.0025510 k( 106) = ( 0.7889538 0.5000000 0.2110462), wk = 0.0025510 k( 107) = ( 0.7840563 0.5000000 0.2159438), wk = 0.0025510 k( 108) = ( 0.7791587 0.5000000 0.2208413), wk = 0.0025510 k( 109) = ( 0.7742612 0.5000000 0.2257388), wk = 0.0025510 k( 110) = ( 0.7693637 0.5000000 0.2306363), wk = 0.0025510 k( 111) = ( 0.7644662 0.5000000 0.2355338), wk = 0.0025510 k( 112) = ( 0.7595686 0.5000000 0.2404314), wk = 0.0025510 k( 113) = ( 0.7546711 0.5000000 0.2453289), wk = 0.0025510 k( 114) = ( 0.7497736 0.5000000 0.2502264), wk = 0.0025510 k( 115) = ( 0.7448761 0.5000000 0.2551239), wk = 0.0025510 k( 116) = ( 0.7399786 0.5000000 0.2600214), wk = 0.0025510 k( 117) = ( 0.7350810 0.5000000 0.2649190), wk = 0.0025510 k( 118) = ( 0.7301835 0.5000000 0.2698165), wk = 0.0025510 k( 119) = ( 0.7252860 0.5000000 0.2747140), wk = 0.0025510 k( 120) = ( 0.7203885 0.5000000 0.2796115), wk = 0.0025510 k( 121) = ( 0.7154909 0.5000000 0.2845090), wk = 0.0025510 k( 122) = ( 0.7105934 0.5000000 0.2894066), wk = 0.0025510 k( 123) = ( 0.7056959 0.5000000 0.2943041), wk = 0.0025510 k( 124) = ( 0.7007984 0.5000000 0.2992016), wk = 0.0025510 k( 125) = ( 0.6959009 0.5000000 0.3040991), wk = 0.0025510 k( 126) = ( 0.6910033 0.5000000 0.3089967), wk = 0.0025510 k( 127) = ( 0.6861058 0.5000000 0.3138942), wk = 0.0025510 k( 128) = ( 0.6812083 0.5000000 0.3187917), wk = 0.0025510 k( 129) = ( 0.6763108 0.5000000 0.3236892), wk = 0.0025510 k( 130) = ( 0.6714133 0.5000000 0.3285867), wk = 0.0025510 k( 131) = ( 0.6665157 0.5000000 0.3334843), wk = 0.0025510 k( 132) = ( 0.6616182 0.5000000 0.3383818), wk = 0.0025510 k( 133) = ( 0.6567207 0.5000000 0.3432793), wk = 0.0025510 k( 134) = ( 0.6518232 0.5000000 0.3481768), wk = 0.0025510 k( 135) = ( 0.6469257 0.5000000 0.3530744), wk = 0.0025510 k( 136) = ( 0.6420281 0.5000000 0.3579719), wk = 0.0025510 k( 137) = ( 0.6371306 0.5000000 0.3628694), wk = 0.0025510 k( 138) = ( 0.6322331 0.5000000 0.3677669), wk = 0.0025510 k( 139) = ( 0.6273356 0.5000000 0.3726644), wk = 0.0025510 k( 140) = ( 0.6224380 0.5000000 0.3775620), wk = 0.0025510 k( 141) = ( 0.6175405 0.5000000 0.3824595), wk = 0.0025510 k( 142) = ( 0.6126430 0.5000000 0.3873570), wk = 0.0025510 k( 143) = ( 0.6077455 0.5000000 0.3922545), wk = 0.0025510 k( 144) = ( 0.6028480 0.5000000 0.3971520), wk = 0.0025510 k( 145) = ( 0.5979504 0.5000000 0.4020496), wk = 0.0025510 k( 146) = ( 0.5930529 0.5000000 0.4069471), wk = 0.0025510 k( 147) = ( 0.5881554 0.5000000 0.4118446), wk = 0.0025510 k( 148) = ( 0.5832579 0.5000000 0.4167421), wk = 0.0025510 k( 149) = ( 0.5783603 0.5000000 0.4216397), wk = 0.0025510 k( 150) = ( 0.5734628 0.5000000 0.4265372), wk = 0.0025510 k( 151) = ( 0.5685653 0.5000000 0.4314347), wk = 0.0025510 k( 152) = ( 0.5636678 0.5000000 0.4363322), wk = 0.0025510 k( 153) = ( 0.5587703 0.5000000 0.4412297), wk = 0.0025510 k( 154) = ( 0.5538727 0.5000000 0.4461273), wk = 0.0025510 k( 155) = ( 0.5489752 0.5000000 0.4510248), wk = 0.0025510 k( 156) = ( 0.5440777 0.5000000 0.4559223), wk = 0.0025510 k( 157) = ( 0.5391802 0.5000000 0.4608198), wk = 0.0025510 k( 158) = ( 0.5342826 0.5000000 0.4657173), wk = 0.0025510 k( 159) = ( 0.5293851 0.5000000 0.4706149), wk = 0.0025510 k( 160) = ( 0.5244876 0.5000000 0.4755124), wk = 0.0025510 k( 161) = ( 0.5195901 0.5000000 0.4804099), wk = 0.0025510 k( 162) = ( 0.5146926 0.5000000 0.4853074), wk = 0.0025510 k( 163) = ( 0.5097950 0.5000000 0.4902050), wk = 0.0025510 k( 164) = ( 0.5048975 0.5000000 0.4951025), wk = 0.0025510 k( 165) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 166) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 167) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0025510 k( 168) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0025510 k( 169) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0025510 k( 170) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0025510 k( 171) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0025510 k( 172) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0025510 k( 173) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0025510 k( 174) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0025510 k( 175) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0025510 k( 176) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0025510 k( 177) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0025510 k( 178) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0025510 k( 179) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0025510 k( 180) = ( 0.2741936 0.2741936 0.2741936), wk = 0.0025510 k( 181) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0025510 k( 182) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0025510 k( 183) = ( 0.2258064 0.2258065 0.2258064), wk = 0.0025510 k( 184) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0025510 k( 185) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0025510 k( 186) = ( 0.1774194 0.1774194 0.1774194), wk = 0.0025510 k( 187) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0025510 k( 188) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0025510 k( 189) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0025510 k( 190) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0025510 k( 191) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0025510 k( 192) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0025510 k( 193) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0025510 k( 194) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0025510 k( 195) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0025510 k( 196) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0025510 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 199) = ( 0.0049040 0.0000000 -0.0049040), wk = 0.0025510 k( 200) = ( 0.0098080 0.0000000 -0.0098080), wk = 0.0025510 k( 201) = ( 0.0147120 0.0000000 -0.0147120), wk = 0.0025510 k( 202) = ( 0.0196160 0.0000000 -0.0196160), wk = 0.0025510 k( 203) = ( 0.0245199 0.0000000 -0.0245199), wk = 0.0025510 k( 204) = ( 0.0294239 0.0000000 -0.0294239), wk = 0.0025510 k( 205) = ( 0.0343279 0.0000000 -0.0343279), wk = 0.0025510 k( 206) = ( 0.0392319 0.0000000 -0.0392319), wk = 0.0025510 k( 207) = ( 0.0441359 0.0000000 -0.0441359), wk = 0.0025510 k( 208) = ( 0.0490399 0.0000000 -0.0490399), wk = 0.0025510 k( 209) = ( 0.0539439 0.0000000 -0.0539439), wk = 0.0025510 k( 210) = ( 0.0588479 0.0000000 -0.0588479), wk = 0.0025510 k( 211) = ( 0.0637519 0.0000000 -0.0637519), wk = 0.0025510 k( 212) = ( 0.0686559 0.0000000 -0.0686559), wk = 0.0025510 k( 213) = ( 0.0735598 0.0000000 -0.0735598), wk = 0.0025510 k( 214) = ( 0.0784638 0.0000000 -0.0784638), wk = 0.0025510 k( 215) = ( 0.0833678 0.0000000 -0.0833678), wk = 0.0025510 k( 216) = ( 0.0882718 0.0000000 -0.0882718), wk = 0.0025510 k( 217) = ( 0.0931758 0.0000000 -0.0931758), wk = 0.0025510 k( 218) = ( 0.0980798 0.0000000 -0.0980798), wk = 0.0025510 k( 219) = ( 0.1029838 0.0000000 -0.1029838), wk = 0.0025510 k( 220) = ( 0.1078878 0.0000000 -0.1078878), wk = 0.0025510 k( 221) = ( 0.1127918 0.0000000 -0.1127918), wk = 0.0025510 k( 222) = ( 0.1176958 0.0000000 -0.1176958), wk = 0.0025510 k( 223) = ( 0.1225997 0.0000000 -0.1225997), wk = 0.0025510 k( 224) = ( 0.1275037 0.0000000 -0.1275037), wk = 0.0025510 k( 225) = ( 0.1324077 0.0000000 -0.1324077), wk = 0.0025510 k( 226) = ( 0.1373117 0.0000000 -0.1373117), wk = 0.0025510 k( 227) = ( 0.1422157 0.0000000 -0.1422157), wk = 0.0025510 k( 228) = ( 0.1471197 0.0000000 -0.1471197), wk = 0.0025510 k( 229) = ( 0.1520237 0.0000000 -0.1520237), wk = 0.0025510 k( 230) = ( 0.1569277 0.0000000 -0.1569277), wk = 0.0025510 k( 231) = ( 0.1618317 0.0000000 -0.1618317), wk = 0.0025510 k( 232) = ( 0.1667357 0.0000000 -0.1667357), wk = 0.0025510 k( 233) = ( 0.1716397 0.0000000 -0.1716396), wk = 0.0025510 k( 234) = ( 0.1765436 0.0000000 -0.1765436), wk = 0.0025510 k( 235) = ( 0.1814476 0.0000000 -0.1814476), wk = 0.0025510 k( 236) = ( 0.1863516 0.0000000 -0.1863516), wk = 0.0025510 k( 237) = ( 0.1912556 0.0000000 -0.1912556), wk = 0.0025510 k( 238) = ( 0.1961596 0.0000000 -0.1961596), wk = 0.0025510 k( 239) = ( 0.2010636 0.0000000 -0.2010636), wk = 0.0025510 k( 240) = ( 0.2059676 0.0000000 -0.2059676), wk = 0.0025510 k( 241) = ( 0.2108716 0.0000000 -0.2108716), wk = 0.0025510 k( 242) = ( 0.2157756 0.0000000 -0.2157756), wk = 0.0025510 k( 243) = ( 0.2206796 0.0000000 -0.2206796), wk = 0.0025510 k( 244) = ( 0.2255835 0.0000000 -0.2255835), wk = 0.0025510 k( 245) = ( 0.2304875 0.0000000 -0.2304875), wk = 0.0025510 k( 246) = ( 0.2353915 0.0000000 -0.2353915), wk = 0.0025510 k( 247) = ( 0.2402955 0.0000000 -0.2402955), wk = 0.0025510 k( 248) = ( 0.2451995 0.0000000 -0.2451995), wk = 0.0025510 k( 249) = ( 0.2501035 0.0000000 -0.2501035), wk = 0.0025510 k( 250) = ( 0.2550075 0.0000000 -0.2550075), wk = 0.0025510 k( 251) = ( 0.2599115 0.0000000 -0.2599115), wk = 0.0025510 k( 252) = ( 0.2648155 0.0000000 -0.2648155), wk = 0.0025510 k( 253) = ( 0.2697195 0.0000000 -0.2697195), wk = 0.0025510 k( 254) = ( 0.2746234 0.0000000 -0.2746234), wk = 0.0025510 k( 255) = ( 0.2795274 0.0000000 -0.2795274), wk = 0.0025510 k( 256) = ( 0.2844314 0.0000000 -0.2844314), wk = 0.0025510 k( 257) = ( 0.2893354 0.0000000 -0.2893354), wk = 0.0025510 k( 258) = ( 0.2942394 0.0000000 -0.2942394), wk = 0.0025510 k( 259) = ( 0.2991434 0.0000000 -0.2991434), wk = 0.0025510 k( 260) = ( 0.3040474 0.0000000 -0.3040474), wk = 0.0025510 k( 261) = ( 0.3089514 0.0000000 -0.3089514), wk = 0.0025510 k( 262) = ( 0.3138554 0.0000000 -0.3138554), wk = 0.0025510 k( 263) = ( 0.3187594 0.0000000 -0.3187594), wk = 0.0025510 k( 264) = ( 0.3236634 0.0000000 -0.3236633), wk = 0.0025510 k( 265) = ( 0.3285673 0.0000000 -0.3285673), wk = 0.0025510 k( 266) = ( 0.3334713 0.0000000 -0.3334713), wk = 0.0025510 k( 267) = ( 0.3383753 0.0000000 -0.3383753), wk = 0.0025510 k( 268) = ( 0.3432793 0.0000000 -0.3432793), wk = 0.0025510 k( 269) = ( 0.6567207 0.3432793 0.0000000), wk = 0.0025510 k( 270) = ( 0.6518232 0.3481768 0.0000000), wk = 0.0025510 k( 271) = ( 0.6469257 0.3530744 0.0000000), wk = 0.0025510 k( 272) = ( 0.6420281 0.3579719 0.0000000), wk = 0.0025510 k( 273) = ( 0.6371306 0.3628694 0.0000000), wk = 0.0025510 k( 274) = ( 0.6322331 0.3677669 0.0000000), wk = 0.0025510 k( 275) = ( 0.6273356 0.3726644 0.0000000), wk = 0.0025510 k( 276) = ( 0.6224380 0.3775620 0.0000000), wk = 0.0025510 k( 277) = ( 0.6175405 0.3824595 0.0000000), wk = 0.0025510 k( 278) = ( 0.6126430 0.3873570 0.0000000), wk = 0.0025510 k( 279) = ( 0.6077455 0.3922545 0.0000000), wk = 0.0025510 k( 280) = ( 0.6028480 0.3971521 0.0000000), wk = 0.0025510 k( 281) = ( 0.5979504 0.4020496 0.0000000), wk = 0.0025510 k( 282) = ( 0.5930529 0.4069471 0.0000000), wk = 0.0025510 k( 283) = ( 0.5881554 0.4118446 0.0000000), wk = 0.0025510 k( 284) = ( 0.5832579 0.4167421 0.0000000), wk = 0.0025510 k( 285) = ( 0.5783603 0.4216397 0.0000000), wk = 0.0025510 k( 286) = ( 0.5734628 0.4265372 0.0000000), wk = 0.0025510 k( 287) = ( 0.5685653 0.4314347 0.0000000), wk = 0.0025510 k( 288) = ( 0.5636678 0.4363322 0.0000000), wk = 0.0025510 k( 289) = ( 0.5587703 0.4412297 0.0000000), wk = 0.0025510 k( 290) = ( 0.5538727 0.4461273 0.0000000), wk = 0.0025510 k( 291) = ( 0.5489752 0.4510248 0.0000000), wk = 0.0025510 k( 292) = ( 0.5440777 0.4559223 0.0000000), wk = 0.0025510 k( 293) = ( 0.5391802 0.4608198 0.0000000), wk = 0.0025510 k( 294) = ( 0.5342826 0.4657174 0.0000000), wk = 0.0025510 k( 295) = ( 0.5293851 0.4706149 0.0000000), wk = 0.0025510 k( 296) = ( 0.5244876 0.4755124 0.0000000), wk = 0.0025510 k( 297) = ( 0.5195901 0.4804099 0.0000000), wk = 0.0025510 k( 298) = ( 0.5146926 0.4853074 0.0000000), wk = 0.0025510 k( 299) = ( 0.5097950 0.4902050 0.0000000), wk = 0.0025510 k( 300) = ( 0.5048975 0.4951025 0.0000000), wk = 0.0025510 k( 301) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 302) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 303) = ( 0.5142473 0.5142473 0.0169599), wk = 0.0025510 k( 304) = ( 0.5284947 0.5284947 0.0339198), wk = 0.0025510 k( 305) = ( 0.5427420 0.5427420 0.0508796), wk = 0.0025510 k( 306) = ( 0.5569893 0.5569893 0.0678395), wk = 0.0025510 k( 307) = ( 0.5712367 0.5712367 0.0847994), wk = 0.0025510 k( 308) = ( 0.5854840 0.5854840 0.1017593), wk = 0.0025510 k( 309) = ( 0.5997313 0.5997314 0.1187191), wk = 0.0025510 k( 310) = ( 0.6139787 0.6139787 0.1356790), wk = 0.0025510 k( 311) = ( 0.6282260 0.6282260 0.1526389), wk = 0.0025510 k( 312) = ( 0.6424734 0.6424734 0.1695987), wk = 0.0025510 k( 313) = ( 0.6567207 0.6567207 0.1865586), wk = 0.0025510 k( 314) = ( 0.6567207 0.6567207 0.1865586), wk = 0.0025510 k( 315) = ( 0.6539221 0.6539221 0.1921558), wk = 0.0025510 k( 316) = ( 0.6511235 0.6511235 0.1977530), wk = 0.0025510 k( 317) = ( 0.6483249 0.6483249 0.2033501), wk = 0.0025510 k( 318) = ( 0.6455264 0.6455264 0.2089473), wk = 0.0025510 k( 319) = ( 0.6427278 0.6427278 0.2145445), wk = 0.0025510 k( 320) = ( 0.6399292 0.6399292 0.2201416), wk = 0.0025510 k( 321) = ( 0.6371306 0.6371306 0.2257388), wk = 0.0025510 k( 322) = ( 0.6343320 0.6343320 0.2313360), wk = 0.0025510 k( 323) = ( 0.6315334 0.6315334 0.2369331), wk = 0.0025510 k( 324) = ( 0.6287348 0.6287349 0.2425303), wk = 0.0025510 k( 325) = ( 0.6259363 0.6259363 0.2481275), wk = 0.0025510 k( 326) = ( 0.6231377 0.6231377 0.2537246), wk = 0.0025510 k( 327) = ( 0.6203391 0.6203391 0.2593218), wk = 0.0025510 k( 328) = ( 0.6175405 0.6175405 0.2649190), wk = 0.0025510 k( 329) = ( 0.6147419 0.6147419 0.2705161), wk = 0.0025510 k( 330) = ( 0.6119433 0.6119433 0.2761133), wk = 0.0025510 k( 331) = ( 0.6091448 0.6091448 0.2817105), wk = 0.0025510 k( 332) = ( 0.6063462 0.6063462 0.2873076), wk = 0.0025510 k( 333) = ( 0.6035476 0.6035476 0.2929048), wk = 0.0025510 k( 334) = ( 0.6007490 0.6007490 0.2985020), wk = 0.0025510 k( 335) = ( 0.5979504 0.5979504 0.3040991), wk = 0.0025510 k( 336) = ( 0.5951519 0.5951519 0.3096963), wk = 0.0025510 k( 337) = ( 0.5923533 0.5923533 0.3152935), wk = 0.0025510 k( 338) = ( 0.5895547 0.5895547 0.3208906), wk = 0.0025510 k( 339) = ( 0.5867561 0.5867561 0.3264878), wk = 0.0025510 k( 340) = ( 0.5839575 0.5839575 0.3320850), wk = 0.0025510 k( 341) = ( 0.5811589 0.5811589 0.3376821), wk = 0.0025510 k( 342) = ( 0.5783603 0.5783603 0.3432793), wk = 0.0025510 k( 343) = ( 0.5755618 0.5755618 0.3488765), wk = 0.0025510 k( 344) = ( 0.5727632 0.5727632 0.3544736), wk = 0.0025510 k( 345) = ( 0.5699646 0.5699646 0.3600708), wk = 0.0025510 k( 346) = ( 0.5671660 0.5671660 0.3656680), wk = 0.0025510 k( 347) = ( 0.5643674 0.5643674 0.3712651), wk = 0.0025510 k( 348) = ( 0.5615688 0.5615688 0.3768623), wk = 0.0025510 k( 349) = ( 0.5587703 0.5587703 0.3824595), wk = 0.0025510 k( 350) = ( 0.5559717 0.5559717 0.3880567), wk = 0.0025510 k( 351) = ( 0.5531731 0.5531731 0.3936538), wk = 0.0025510 k( 352) = ( 0.5503745 0.5503745 0.3992510), wk = 0.0025510 k( 353) = ( 0.5475759 0.5475759 0.4048482), wk = 0.0025510 k( 354) = ( 0.5447773 0.5447773 0.4104453), wk = 0.0025510 k( 355) = ( 0.5419788 0.5419788 0.4160425), wk = 0.0025510 k( 356) = ( 0.5391802 0.5391802 0.4216396), wk = 0.0025510 k( 357) = ( 0.5363816 0.5363816 0.4272368), wk = 0.0025510 k( 358) = ( 0.5335830 0.5335830 0.4328340), wk = 0.0025510 k( 359) = ( 0.5307844 0.5307844 0.4384312), wk = 0.0025510 k( 360) = ( 0.5279858 0.5279858 0.4440283), wk = 0.0025510 k( 361) = ( 0.5251872 0.5251873 0.4496255), wk = 0.0025510 k( 362) = ( 0.5223887 0.5223887 0.4552227), wk = 0.0025510 k( 363) = ( 0.5195901 0.5195901 0.4608198), wk = 0.0025510 k( 364) = ( 0.5167915 0.5167915 0.4664170), wk = 0.0025510 k( 365) = ( 0.5139929 0.5139929 0.4720142), wk = 0.0025510 k( 366) = ( 0.5111943 0.5111943 0.4776113), wk = 0.0025510 k( 367) = ( 0.5083958 0.5083958 0.4832085), wk = 0.0025510 k( 368) = ( 0.5055972 0.5055972 0.4888057), wk = 0.0025510 k( 369) = ( 0.5027986 0.5027986 0.4944028), wk = 0.0025510 k( 370) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 371) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025510 k( 372) = ( 0.5149258 0.0163466 0.0163466), wk = 0.0025510 k( 373) = ( 0.5298516 0.0326933 0.0326933), wk = 0.0025510 k( 374) = ( 0.5447773 0.0490399 0.0490399), wk = 0.0025510 k( 375) = ( 0.5597031 0.0653865 0.0653865), wk = 0.0025510 k( 376) = ( 0.5746289 0.0817332 0.0817332), wk = 0.0025510 k( 377) = ( 0.5895547 0.0980798 0.0980798), wk = 0.0025510 k( 378) = ( 0.6044805 0.1144264 0.1144264), wk = 0.0025510 k( 379) = ( 0.6194062 0.1307731 0.1307731), wk = 0.0025510 k( 380) = ( 0.6343320 0.1471197 0.1471197), wk = 0.0025510 k( 381) = ( 0.6492578 0.1634663 0.1634663), wk = 0.0025510 k( 382) = ( 0.6641836 0.1798130 0.1798130), wk = 0.0025510 k( 383) = ( 0.6791094 0.1961596 0.1961596), wk = 0.0025510 k( 384) = ( 0.6940351 0.2125062 0.2125062), wk = 0.0025510 k( 385) = ( 0.7089609 0.2288529 0.2288529), wk = 0.0025510 k( 386) = ( 0.7238867 0.2451995 0.2451995), wk = 0.0025510 k( 387) = ( 0.7388125 0.2615461 0.2615461), wk = 0.0025510 k( 388) = ( 0.7537383 0.2778928 0.2778928), wk = 0.0025510 k( 389) = ( 0.7686640 0.2942394 0.2942394), wk = 0.0025510 k( 390) = ( 0.7835898 0.3105860 0.3105860), wk = 0.0025510 k( 391) = ( 0.7985156 0.3269327 0.3269327), wk = 0.0025510 k( 392) = ( 0.8134414 0.3432793 0.3432793), wk = 0.0025510 Dense grid: 34025 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 21495 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 164, 46) NL pseudopotentials 0.10 Mb ( 82, 76) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 944) G-vector shells 0.01 Mb ( 767) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 164, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.11 Mb ( 76, 2, 46) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NaRhO2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.8 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.5 secs Computing kpt #: 13 total cpu time spent up to now is 7.9 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 secs Computing kpt #: 15 total cpu time spent up to now is 8.6 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs Computing kpt #: 17 total cpu time spent up to now is 9.4 secs Computing kpt #: 18 total cpu time spent up to now is 9.7 secs Computing kpt #: 19 total cpu time spent up to now is 10.1 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 10.9 secs Computing kpt #: 22 total cpu time spent up to now is 12.0 secs Computing kpt #: 23 total cpu time spent up to now is 12.3 secs Computing kpt #: 24 total cpu time spent up to now is 12.7 secs Computing kpt #: 25 total cpu time spent up to now is 13.1 secs Computing kpt #: 26 total cpu time spent up to now is 13.5 secs Computing kpt #: 27 total cpu time spent up to now is 13.8 secs Computing kpt #: 28 total cpu time spent up to now is 14.2 secs Computing kpt #: 29 total cpu time spent up to now is 14.6 secs Computing kpt #: 30 total cpu time spent up to now is 15.0 secs Computing kpt #: 31 total cpu time spent up to now is 15.4 secs Computing kpt #: 32 total cpu time spent up to now is 15.7 secs Computing kpt #: 33 total cpu time spent up to now is 16.1 secs Computing kpt #: 34 total cpu time spent up to now is 16.5 secs Computing kpt #: 35 total cpu time spent up to now is 16.9 secs Computing kpt #: 36 total cpu time spent up to now is 17.3 secs Computing kpt #: 37 total cpu time spent up to now is 17.6 secs Computing kpt #: 38 total cpu time spent up to now is 18.0 secs Computing kpt #: 39 total cpu time spent up to now is 18.4 secs Computing kpt #: 40 total cpu time spent up to now is 18.8 secs Computing kpt #: 41 total cpu time spent up to now is 19.1 secs Computing kpt #: 42 total cpu time spent up to now is 19.5 secs Computing kpt #: 43 total cpu time spent up to now is 19.9 secs Computing kpt #: 44 total cpu time spent up to now is 20.3 secs Computing kpt #: 45 total cpu time spent up to now is 20.7 secs Computing kpt #: 46 total cpu time spent up to now is 21.1 secs Computing kpt #: 47 total cpu time spent up to now is 21.5 secs Computing kpt #: 48 total cpu time spent up to now is 21.9 secs Computing kpt #: 49 total cpu time spent up to now is 22.3 secs Computing kpt #: 50 total cpu time spent up to now is 22.7 secs Computing kpt #: 51 total cpu time spent up to now is 23.1 secs Computing kpt #: 52 total cpu time spent up to now is 23.5 secs Computing kpt #: 53 total cpu time spent up to now is 23.9 secs Computing kpt #: 54 total cpu time spent up to now is 24.3 secs Computing kpt #: 55 total cpu time spent up to now is 24.8 secs Computing kpt #: 56 total cpu time spent up to now is 25.2 secs Computing kpt #: 57 total cpu time spent up to now is 25.6 secs Computing kpt #: 58 total cpu time spent up to now is 26.0 secs Computing kpt #: 59 total cpu time spent up to now is 26.5 secs Computing kpt #: 60 total cpu time spent up to now is 26.9 secs Computing kpt #: 61 total cpu time spent up to now is 27.3 secs Computing kpt #: 62 total cpu time spent up to now is 27.7 secs Computing kpt #: 63 total cpu time spent up to now is 28.2 secs Computing kpt #: 64 total cpu time spent up to now is 28.6 secs Computing kpt #: 65 total cpu time spent up to now is 29.0 secs Computing kpt #: 66 total cpu time spent up to now is 29.4 secs Computing kpt #: 67 total cpu time spent up to now is 29.8 secs Computing kpt #: 68 total cpu time spent up to now is 30.3 secs Computing kpt #: 69 total cpu time spent up to now is 30.7 secs Computing kpt #: 70 total cpu time spent up to now is 31.1 secs Computing kpt #: 71 total cpu time spent up to now is 31.5 secs Computing kpt #: 72 total cpu time spent up to now is 31.9 secs Computing kpt #: 73 total cpu time spent up to now is 32.3 secs Computing kpt #: 74 total cpu time spent up to now is 32.8 secs Computing kpt #: 75 total cpu time spent up to now is 33.2 secs Computing kpt #: 76 total cpu time spent up to now is 33.6 secs Computing kpt #: 77 total cpu time spent up to now is 34.0 secs Computing kpt #: 78 total cpu time spent up to now is 34.4 secs Computing kpt #: 79 total cpu time spent up to now is 34.8 secs Computing kpt #: 80 total cpu time spent up to now is 35.2 secs Computing kpt #: 81 total cpu time spent up to now is 35.6 secs Computing kpt #: 82 total cpu time spent up to now is 36.0 secs Computing kpt #: 83 total cpu time spent up to now is 36.4 secs Computing kpt #: 84 total cpu time spent up to now is 36.8 secs Computing kpt #: 85 total cpu time spent up to now is 37.2 secs Computing kpt #: 86 total cpu time spent up to now is 37.6 secs Computing kpt #: 87 total cpu time spent up to now is 38.0 secs Computing kpt #: 88 total cpu time spent up to now is 38.4 secs Computing kpt #: 89 total cpu time spent up to now is 38.8 secs Computing kpt #: 90 total cpu time spent up to now is 39.2 secs Computing kpt #: 91 total cpu time spent up to now is 39.6 secs Computing kpt #: 92 total cpu time spent up to now is 39.9 secs Computing kpt #: 93 total cpu time spent up to now is 40.3 secs Computing kpt #: 94 total cpu time spent up to now is 40.7 secs Computing kpt #: 95 total cpu time spent up to now is 41.1 secs Computing kpt #: 96 total cpu time spent up to now is 41.5 secs Computing kpt #: 97 total cpu time spent up to now is 41.9 secs Computing kpt #: 98 total cpu time spent up to now is 42.3 secs Computing kpt #: 99 total cpu time spent up to now is 42.7 secs Computing kpt #: 100 total cpu time spent up to now is 43.1 secs Computing kpt #: 101 total cpu time spent up to now is 43.4 secs Computing kpt #: 102 total cpu time spent up to now is 43.8 secs Computing kpt #: 103 total cpu time spent up to now is 44.2 secs Computing kpt #: 104 total cpu time spent up to now is 44.6 secs Computing kpt #: 105 total cpu time spent up to now is 45.0 secs Computing kpt #: 106 total cpu time spent up to now is 45.4 secs Computing kpt #: 107 total cpu time spent up to now is 45.8 secs Computing kpt #: 108 total cpu time spent up to now is 46.2 secs Computing kpt #: 109 total cpu time spent up to now is 46.6 secs Computing kpt #: 110 total cpu time spent up to now is 47.0 secs Computing kpt #: 111 total cpu time spent up to now is 47.4 secs Computing kpt #: 112 total cpu time spent up to now is 47.8 secs Computing kpt #: 113 total cpu time spent up to now is 48.3 secs Computing kpt #: 114 total cpu time spent up to now is 48.7 secs Computing kpt #: 115 total cpu time spent up to now is 49.1 secs Computing kpt #: 116 total cpu time spent up to now is 49.5 secs Computing kpt #: 117 total cpu time spent up to now is 49.9 secs Computing kpt #: 118 total cpu time spent up to now is 50.3 secs Computing kpt #: 119 total cpu time spent up to now is 50.7 secs Computing kpt #: 120 total cpu time spent up to now is 51.1 secs Computing kpt #: 121 total cpu time spent up to now is 51.5 secs Computing kpt #: 122 total cpu time spent up to now is 51.8 secs Computing kpt #: 123 total cpu time spent up to now is 52.2 secs Computing kpt #: 124 total cpu time spent up to now is 52.6 secs Computing kpt #: 125 total cpu time spent up to now is 53.0 secs Computing kpt #: 126 total cpu time spent up to now is 53.3 secs Computing kpt #: 127 total cpu time spent up to now is 53.7 secs Computing kpt #: 128 total cpu time spent up to now is 54.1 secs Computing kpt #: 129 total cpu time spent up to now is 54.4 secs Computing kpt #: 130 total cpu time spent up to now is 54.8 secs Computing kpt #: 131 total cpu time spent up to now is 55.1 secs Computing kpt #: 132 total cpu time spent up to now is 55.5 secs Computing kpt #: 133 total cpu time spent up to now is 55.9 secs Computing kpt #: 134 total cpu time spent up to now is 56.2 secs Computing kpt #: 135 total cpu time spent up to now is 56.6 secs Computing kpt #: 136 total cpu time spent up to now is 56.9 secs Computing kpt #: 137 total cpu time spent up to now is 57.3 secs Computing kpt #: 138 total cpu time spent up to now is 57.6 secs Computing kpt #: 139 total cpu time spent up to now is 58.0 secs Computing kpt #: 140 total cpu time spent up to now is 58.3 secs Computing kpt #: 141 total cpu time spent up to now is 58.7 secs Computing kpt #: 142 total cpu time spent up to now is 59.0 secs Computing kpt #: 143 total cpu time spent up to now is 59.4 secs Computing kpt #: 144 total cpu time spent up to now is 59.7 secs Computing kpt #: 145 total cpu time spent up to now is 60.1 secs Computing kpt #: 146 total cpu time spent up to now is 60.4 secs Computing kpt #: 147 total cpu time spent up to now is 60.7 secs Computing kpt #: 148 total cpu time spent up to now is 61.1 secs Computing kpt #: 149 total cpu time spent up to now is 61.4 secs Computing kpt #: 150 total cpu time spent up to now is 61.7 secs Computing kpt #: 151 total cpu time spent up to now is 62.1 secs Computing kpt #: 152 total cpu time spent up to now is 62.4 secs Computing kpt #: 153 total cpu time spent up to now is 62.7 secs Computing kpt #: 154 total cpu time spent up to now is 63.0 secs Computing kpt #: 155 total cpu time spent up to now is 63.4 secs Computing kpt #: 156 total cpu time spent up to now is 63.7 secs Computing kpt #: 157 total cpu time spent up to now is 64.0 secs Computing kpt #: 158 total cpu time spent up to now is 64.4 secs Computing kpt #: 159 total cpu time spent up to now is 64.7 secs Computing kpt #: 160 total cpu time spent up to now is 65.0 secs Computing kpt #: 161 total cpu time spent up to now is 65.4 secs Computing kpt #: 162 total cpu time spent up to now is 65.7 secs Computing kpt #: 163 total cpu time spent up to now is 66.0 secs Computing kpt #: 164 total cpu time spent up to now is 66.3 secs Computing kpt #: 165 total cpu time spent up to now is 66.6 secs Computing kpt #: 166 total cpu time spent up to now is 67.0 secs Computing kpt #: 167 total cpu time spent up to now is 67.3 secs Computing kpt #: 168 total cpu time spent up to now is 67.6 secs Computing kpt #: 169 total cpu time spent up to now is 68.0 secs Computing kpt #: 170 total cpu time spent up to now is 68.3 secs Computing kpt #: 171 total cpu time spent up to now is 68.7 secs Computing kpt #: 172 total cpu time spent up to now is 69.0 secs Computing kpt #: 173 total cpu time spent up to now is 69.4 secs Computing kpt #: 174 total cpu time spent up to now is 69.7 secs Computing kpt #: 175 total cpu time spent up to now is 70.1 secs Computing kpt #: 176 total cpu time spent up to now is 70.4 secs Computing kpt #: 177 total cpu time spent up to now is 70.8 secs Computing kpt #: 178 total cpu time spent up to now is 71.1 secs Computing kpt #: 179 total cpu time spent up to now is 71.5 secs Computing kpt #: 180 total cpu time spent up to now is 71.9 secs Computing kpt #: 181 total cpu time spent up to now is 72.2 secs Computing kpt #: 182 total cpu time spent up to now is 72.6 secs Computing kpt #: 183 total cpu time spent up to now is 72.9 secs Computing kpt #: 184 total cpu time spent up to now is 73.3 secs Computing kpt #: 185 total cpu time spent up to now is 73.6 secs Computing kpt #: 186 total cpu time spent up to now is 74.0 secs Computing kpt #: 187 total cpu time spent up to now is 74.3 secs Computing kpt #: 188 total cpu time spent up to now is 74.7 secs Computing kpt #: 189 total cpu time spent up to now is 75.1 secs Computing kpt #: 190 total cpu time spent up to now is 75.4 secs Computing kpt #: 191 total cpu time spent up to now is 75.8 secs Computing kpt #: 192 total cpu time spent up to now is 76.1 secs Computing kpt #: 193 total cpu time spent up to now is 76.5 secs Computing kpt #: 194 total cpu time spent up to now is 76.8 secs Computing kpt #: 195 total cpu time spent up to now is 77.2 secs Computing kpt #: 196 total cpu time spent up to now is 77.6 secs Computing kpt #: 197 total cpu time spent up to now is 77.9 secs Computing kpt #: 198 total cpu time spent up to now is 78.3 secs Computing kpt #: 199 total cpu time spent up to now is 78.6 secs Computing kpt #: 200 total cpu time spent up to now is 79.0 secs Computing kpt #: 201 total cpu time spent up to now is 79.3 secs Computing kpt #: 202 total cpu time spent up to now is 79.7 secs Computing kpt #: 203 total cpu time spent up to now is 80.0 secs Computing kpt #: 204 total cpu time spent up to now is 80.4 secs Computing kpt #: 205 total cpu time spent up to now is 80.8 secs Computing kpt #: 206 total cpu time spent up to now is 81.1 secs Computing kpt #: 207 total cpu time spent up to now is 81.5 secs Computing kpt #: 208 total cpu time spent up to now is 81.8 secs Computing kpt #: 209 total cpu time spent up to now is 82.2 secs Computing kpt #: 210 total cpu time spent up to now is 82.6 secs Computing kpt #: 211 total cpu time spent up to now is 82.9 secs Computing kpt #: 212 total cpu time spent up to now is 83.3 secs Computing kpt #: 213 total cpu time spent up to now is 83.7 secs Computing kpt #: 214 total cpu time spent up to now is 84.0 secs Computing kpt #: 215 total cpu time spent up to now is 84.4 secs Computing kpt #: 216 total cpu time spent up to now is 84.8 secs Computing kpt #: 217 total cpu time spent up to now is 85.2 secs Computing kpt #: 218 total cpu time spent up to now is 85.6 secs Computing kpt #: 219 total cpu time spent up to now is 86.0 secs Computing kpt #: 220 total cpu time spent up to now is 86.3 secs Computing kpt #: 221 total cpu time spent up to now is 86.7 secs Computing kpt #: 222 total cpu time spent up to now is 87.1 secs Computing kpt #: 223 total cpu time spent up to now is 87.5 secs Computing kpt #: 224 total cpu time spent up to now is 87.9 secs Computing kpt #: 225 total cpu time spent up to now is 88.3 secs Computing kpt #: 226 total cpu time spent up to now is 88.7 secs Computing kpt #: 227 total cpu time spent up to now is 89.1 secs Computing kpt #: 228 total cpu time spent up to now is 89.5 secs Computing kpt #: 229 total cpu time spent up to now is 89.9 secs Computing kpt #: 230 total cpu time spent up to now is 90.3 secs Computing kpt #: 231 total cpu time spent up to now is 90.7 secs Computing kpt #: 232 total cpu time spent up to now is 91.1 secs Computing kpt #: 233 total cpu time spent up to now is 91.4 secs Computing kpt #: 234 total cpu time spent up to now is 91.8 secs Computing kpt #: 235 total cpu time spent up to now is 92.2 secs Computing kpt #: 236 total cpu time spent up to now is 92.6 secs Computing kpt #: 237 total cpu time spent up to now is 93.0 secs Computing kpt #: 238 total cpu time spent up to now is 93.4 secs Computing kpt #: 239 total cpu time spent up to now is 93.8 secs Computing kpt #: 240 total cpu time spent up to now is 94.2 secs Computing kpt #: 241 total cpu time spent up to now is 94.6 secs Computing kpt #: 242 total cpu time spent up to now is 95.0 secs Computing kpt #: 243 total cpu time spent up to now is 95.4 secs Computing kpt #: 244 total cpu time spent up to now is 95.8 secs Computing kpt #: 245 total cpu time spent up to now is 96.2 secs Computing kpt #: 246 total cpu time spent up to now is 96.6 secs Computing kpt #: 247 total cpu time spent up to now is 97.0 secs Computing kpt #: 248 total cpu time spent up to now is 97.3 secs Computing kpt #: 249 total cpu time spent up to now is 97.7 secs Computing kpt #: 250 total cpu time spent up to now is 98.1 secs Computing kpt #: 251 total cpu time spent up to now is 98.5 secs Computing kpt #: 252 total cpu time spent up to now is 98.9 secs Computing kpt #: 253 total cpu time spent up to now is 99.3 secs Computing kpt #: 254 total cpu time spent up to now is 99.7 secs Computing kpt #: 255 total cpu time spent up to now is 100.1 secs Computing kpt #: 256 total cpu time spent up to now is 100.5 secs Computing kpt #: 257 total cpu time spent up to now is 100.9 secs Computing kpt #: 258 total cpu time spent up to now is 101.3 secs Computing kpt #: 259 total cpu time spent up to now is 101.7 secs Computing kpt #: 260 total cpu time spent up to now is 102.1 secs Computing kpt #: 261 total cpu time spent up to now is 102.5 secs Computing kpt #: 262 total cpu time spent up to now is 102.9 secs Computing kpt #: 263 total cpu time spent up to now is 103.3 secs Computing kpt #: 264 total cpu time spent up to now is 103.7 secs Computing kpt #: 265 total cpu time spent up to now is 104.1 secs Computing kpt #: 266 total cpu time spent up to now is 104.5 secs Computing kpt #: 267 total cpu time spent up to now is 104.9 secs Computing kpt #: 268 total cpu time spent up to now is 105.3 secs Computing kpt #: 269 total cpu time spent up to now is 105.7 secs Computing kpt #: 270 total cpu time spent up to now is 106.1 secs Computing kpt #: 271 total cpu time spent up to now is 106.5 secs Computing kpt #: 272 total cpu time spent up to now is 106.9 secs Computing kpt #: 273 total cpu time spent up to now is 107.2 secs Computing kpt #: 274 total cpu time spent up to now is 107.6 secs Computing kpt #: 275 total cpu time spent up to now is 108.0 secs Computing kpt #: 276 total cpu time spent up to now is 108.4 secs Computing kpt #: 277 total cpu time spent up to now is 108.8 secs Computing kpt #: 278 total cpu time spent up to now is 109.2 secs Computing kpt #: 279 total cpu time spent up to now is 109.5 secs Computing kpt #: 280 total cpu time spent up to now is 109.9 secs Computing kpt #: 281 total cpu time spent up to now is 110.3 secs Computing kpt #: 282 total cpu time spent up to now is 110.7 secs Computing kpt #: 283 total cpu time spent up to now is 111.1 secs Computing kpt #: 284 total cpu time spent up to now is 111.5 secs Computing kpt #: 285 total cpu time spent up to now is 111.8 secs Computing kpt #: 286 total cpu time spent up to now is 112.2 secs Computing kpt #: 287 total cpu time spent up to now is 112.6 secs Computing kpt #: 288 total cpu time spent up to now is 113.0 secs Computing kpt #: 289 total cpu time spent up to now is 113.3 secs Computing kpt #: 290 total cpu time spent up to now is 113.7 secs Computing kpt #: 291 total cpu time spent up to now is 114.1 secs Computing kpt #: 292 total cpu time spent up to now is 114.5 secs Computing kpt #: 293 total cpu time spent up to now is 114.9 secs Computing kpt #: 294 total cpu time spent up to now is 115.2 secs Computing kpt #: 295 total cpu time spent up to now is 115.6 secs Computing kpt #: 296 total cpu time spent up to now is 116.0 secs Computing kpt #: 297 total cpu time spent up to now is 116.4 secs Computing kpt #: 298 total cpu time spent up to now is 116.8 secs Computing kpt #: 299 total cpu time spent up to now is 117.1 secs Computing kpt #: 300 total cpu time spent up to now is 117.5 secs Computing kpt #: 301 total cpu time spent up to now is 117.9 secs Computing kpt #: 302 total cpu time spent up to now is 118.3 secs Computing kpt #: 303 total cpu time spent up to now is 118.7 secs Computing kpt #: 304 total cpu time spent up to now is 119.1 secs Computing kpt #: 305 total cpu time spent up to now is 119.5 secs Computing kpt #: 306 total cpu time spent up to now is 119.9 secs Computing kpt #: 307 total cpu time spent up to now is 120.3 secs Computing kpt #: 308 total cpu time spent up to now is 120.7 secs Computing kpt #: 309 total cpu time spent up to now is 121.1 secs Computing kpt #: 310 total cpu time spent up to now is 121.5 secs Computing kpt #: 311 total cpu time spent up to now is 121.9 secs Computing kpt #: 312 total cpu time spent up to now is 122.3 secs Computing kpt #: 313 total cpu time spent up to now is 122.7 secs Computing kpt #: 314 total cpu time spent up to now is 123.1 secs Computing kpt #: 315 total cpu time spent up to now is 123.5 secs Computing kpt #: 316 total cpu time spent up to now is 123.9 secs Computing kpt #: 317 total cpu time spent up to now is 124.3 secs Computing kpt #: 318 total cpu time spent up to now is 124.7 secs Computing kpt #: 319 total cpu time spent up to now is 125.1 secs Computing kpt #: 320 total cpu time spent up to now is 125.5 secs Computing kpt #: 321 total cpu time spent up to now is 125.9 secs Computing kpt #: 322 total cpu time spent up to now is 126.3 secs Computing kpt #: 323 total cpu time spent up to now is 126.7 secs Computing kpt #: 324 total cpu time spent up to now is 127.1 secs Computing kpt #: 325 total cpu time spent up to now is 127.4 secs Computing kpt #: 326 total cpu time spent up to now is 127.8 secs Computing kpt #: 327 total cpu time spent up to now is 128.2 secs Computing kpt #: 328 total cpu time spent up to now is 128.6 secs Computing kpt #: 329 total cpu time spent up to now is 129.0 secs Computing kpt #: 330 total cpu time spent up to now is 129.3 secs Computing kpt #: 331 total cpu time spent up to now is 129.7 secs Computing kpt #: 332 total cpu time spent up to now is 130.1 secs Computing kpt #: 333 total cpu time spent up to now is 130.5 secs Computing kpt #: 334 total cpu time spent up to now is 130.8 secs Computing kpt #: 335 total cpu time spent up to now is 131.2 secs Computing kpt #: 336 total cpu time spent up to now is 131.5 secs Computing kpt #: 337 total cpu time spent up to now is 131.9 secs Computing kpt #: 338 total cpu time spent up to now is 132.2 secs Computing kpt #: 339 total cpu time spent up to now is 132.6 secs Computing kpt #: 340 total cpu time spent up to now is 133.0 secs Computing kpt #: 341 total cpu time spent up to now is 133.3 secs Computing kpt #: 342 total cpu time spent up to now is 133.7 secs Computing kpt #: 343 total cpu time spent up to now is 134.0 secs Computing kpt #: 344 total cpu time spent up to now is 134.4 secs Computing kpt #: 345 total cpu time spent up to now is 134.7 secs Computing kpt #: 346 total cpu time spent up to now is 135.0 secs Computing kpt #: 347 total cpu time spent up to now is 135.4 secs Computing kpt #: 348 total cpu time spent up to now is 135.7 secs Computing kpt #: 349 total cpu time spent up to now is 136.1 secs Computing kpt #: 350 total cpu time spent up to now is 136.4 secs Computing kpt #: 351 total cpu time spent up to now is 136.8 secs Computing kpt #: 352 total cpu time spent up to now is 137.1 secs Computing kpt #: 353 total cpu time spent up to now is 137.4 secs Computing kpt #: 354 total cpu time spent up to now is 137.8 secs Computing kpt #: 355 total cpu time spent up to now is 138.1 secs Computing kpt #: 356 total cpu time spent up to now is 138.4 secs Computing kpt #: 357 total cpu time spent up to now is 138.8 secs Computing kpt #: 358 total cpu time spent up to now is 139.1 secs Computing kpt #: 359 total cpu time spent up to now is 139.4 secs Computing kpt #: 360 total cpu time spent up to now is 139.8 secs Computing kpt #: 361 total cpu time spent up to now is 140.1 secs Computing kpt #: 362 total cpu time spent up to now is 140.4 secs Computing kpt #: 363 total cpu time spent up to now is 140.7 secs Computing kpt #: 364 total cpu time spent up to now is 141.1 secs Computing kpt #: 365 total cpu time spent up to now is 141.4 secs Computing kpt #: 366 total cpu time spent up to now is 141.7 secs Computing kpt #: 367 total cpu time spent up to now is 142.1 secs Computing kpt #: 368 total cpu time spent up to now is 142.4 secs Computing kpt #: 369 total cpu time spent up to now is 142.7 secs Computing kpt #: 370 total cpu time spent up to now is 143.0 secs Computing kpt #: 371 total cpu time spent up to now is 143.4 secs Computing kpt #: 372 total cpu time spent up to now is 143.9 secs Computing kpt #: 373 total cpu time spent up to now is 144.3 secs Computing kpt #: 374 total cpu time spent up to now is 144.7 secs Computing kpt #: 375 total cpu time spent up to now is 145.1 secs Computing kpt #: 376 total cpu time spent up to now is 145.5 secs Computing kpt #: 377 total cpu time spent up to now is 145.9 secs Computing kpt #: 378 total cpu time spent up to now is 146.4 secs Computing kpt #: 379 total cpu time spent up to now is 146.8 secs Computing kpt #: 380 total cpu time spent up to now is 147.2 secs Computing kpt #: 381 total cpu time spent up to now is 147.6 secs Computing kpt #: 382 total cpu time spent up to now is 148.0 secs Computing kpt #: 383 total cpu time spent up to now is 148.4 secs Computing kpt #: 384 total cpu time spent up to now is 148.8 secs Computing kpt #: 385 total cpu time spent up to now is 149.2 secs Computing kpt #: 386 total cpu time spent up to now is 149.6 secs Computing kpt #: 387 total cpu time spent up to now is 150.0 secs Computing kpt #: 388 total cpu time spent up to now is 150.4 secs Computing kpt #: 389 total cpu time spent up to now is 150.8 secs Computing kpt #: 390 total cpu time spent up to now is 151.2 secs Computing kpt #: 391 total cpu time spent up to now is 151.6 secs Computing kpt #: 392 total cpu time spent up to now is 152.0 secs ethr = 2.63E-08, avg # of iterations = 14.7 total cpu time spent up to now is 152.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2725 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5421 -33.5421 -33.5013 -33.5013 -11.5333 -11.5333 -11.3485 -11.3485 -11.2806 -11.2806 -7.7560 -7.7560 -6.3068 -6.3068 4.8881 4.8881 5.4274 5.4274 5.4918 5.4918 8.9696 8.9696 9.0090 9.0090 9.0436 9.0436 9.9659 9.9659 9.9906 9.9906 11.5730 11.5730 14.2297 14.2297 14.3205 14.3205 14.8189 14.8189 18.8089 18.8090 k = 0.0083-0.0129-0.0079 ( 2724 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5421 -33.5421 -33.5013 -33.5013 -11.5333 -11.5333 -11.3485 -11.3485 -11.2807 -11.2807 -7.7553 -7.7553 -6.3071 -6.3071 4.8893 4.8893 5.4277 5.4277 5.4921 5.4921 8.9673 8.9673 9.0065 9.0065 9.0382 9.0382 9.9698 9.9698 9.9941 9.9941 11.5732 11.5732 14.2285 14.2285 14.3193 14.3193 14.8222 14.8222 18.8123 18.8123 k = 0.0167-0.0258-0.0158 ( 2718 PWs) bands (ev): -66.8764 -66.8764 -39.4666 -39.4666 -37.4341 -37.4341 -33.5423 -33.5423 -33.5013 -33.5013 -11.5332 -11.5332 -11.3487 -11.3487 -11.2810 -11.2810 -7.7532 -7.7532 -6.3081 -6.3081 4.8927 4.8927 5.4285 5.4285 5.4930 5.4930 8.9580 8.9580 9.0005 9.0005 9.0233 9.0233 9.9813 9.9813 10.0045 10.0045 11.5738 11.5738 14.2245 14.2245 14.3156 14.3156 14.8321 14.8321 18.8224 18.8224 k = 0.0250-0.0387-0.0236 ( 2716 PWs) bands (ev): -66.8763 -66.8763 -39.4666 -39.4666 -37.4342 -37.4342 -33.5427 -33.5427 -33.5013 -33.5013 -11.5331 -11.5331 -11.3489 -11.3489 -11.2814 -11.2814 -7.7496 -7.7496 -6.3098 -6.3098 4.8985 4.8985 5.4298 5.4298 5.4945 5.4945 8.9365 8.9365 8.9917 8.9917 9.0050 9.0050 9.9995 9.9995 10.0211 10.0211 11.5748 11.5748 14.2176 14.2176 14.3098 14.3098 14.8486 14.8486 18.8390 18.8390 k = 0.0333-0.0516-0.0315 ( 2716 PWs) bands (ev): -66.8763 -66.8763 -39.4665 -39.4665 -37.4345 -37.4345 -33.5432 -33.5432 -33.5014 -33.5014 -11.5330 -11.5330 -11.3493 -11.3493 -11.2821 -11.2821 -7.7446 -7.7446 -6.3122 -6.3122 4.9065 4.9065 5.4315 5.4315 5.4968 5.4968 8.9008 8.9008 8.9675 8.9675 8.9999 8.9999 10.0229 10.0229 10.0433 10.0433 11.5761 11.5761 14.2074 14.2074 14.3023 14.3023 14.8719 14.8719 18.8621 18.8621 k = 0.0417-0.0645-0.0394 ( 2712 PWs) bands (ev): -66.8762 -66.8762 -39.4664 -39.4664 -37.4347 -37.4347 -33.5439 -33.5439 -33.5014 -33.5014 -11.5329 -11.5329 -11.3497 -11.3497 -11.2829 -11.2829 -7.7383 -7.7383 -6.3153 -6.3153 4.9167 4.9167 5.4334 5.4334 5.5000 5.5000 8.8526 8.8526 8.9359 8.9359 9.0007 9.0007 10.0498 10.0498 10.0708 10.0708 11.5777 11.5777 14.1931 14.1931 14.2937 14.2937 14.9019 14.9019 18.8913 18.8913 k = 0.0500-0.0774-0.0473 ( 2710 PWs) bands (ev): -66.8761 -66.8761 -39.4663 -39.4663 -37.4350 -37.4350 -33.5447 -33.5447 -33.5015 -33.5015 -11.5328 -11.5328 -11.3503 -11.3503 -11.2839 -11.2839 -7.7305 -7.7305 -6.3190 -6.3190 4.9291 4.9291 5.4354 5.4354 5.5044 5.5044 8.7944 8.7944 8.9008 8.9008 9.0034 9.0034 10.0784 10.0784 10.1031 10.1031 11.5796 11.5796 14.1745 14.1745 14.2846 14.2846 14.9387 14.9387 18.9263 18.9263 k = 0.0583-0.0903-0.0552 ( 2714 PWs) bands (ev): -66.8760 -66.8760 -39.4661 -39.4661 -37.4355 -37.4355 -33.5456 -33.5456 -33.5017 -33.5017 -11.5326 -11.5326 -11.3510 -11.3510 -11.2851 -11.2851 -7.7214 -7.7214 -6.3233 -6.3233 4.9435 4.9435 5.4374 5.4374 5.5099 5.5099 8.7283 8.7283 8.8630 8.8630 9.0070 9.0070 10.1075 10.1075 10.1396 10.1396 11.5818 11.5818 14.1513 14.1513 14.2754 14.2754 14.9820 14.9820 18.9668 18.9668 k = 0.0667-0.1032-0.0631 ( 2712 PWs) bands (ev): -66.8759 -66.8759 -39.4660 -39.4660 -37.4359 -37.4359 -33.5467 -33.5467 -33.5018 -33.5018 -11.5325 -11.5325 -11.3518 -11.3518 -11.2864 -11.2864 -7.7110 -7.7110 -6.3282 -6.3282 4.9601 4.9601 5.4394 5.4394 5.5168 5.5168 8.6557 8.6557 8.8231 8.8231 9.0114 9.0114 10.1366 10.1366 10.1792 10.1792 11.5841 11.5841 14.1236 14.1236 14.2662 14.2662 15.0318 15.0318 19.0124 19.0124 k = 0.0750-0.1161-0.0709 ( 2705 PWs) bands (ev): -66.8757 -66.8757 -39.4658 -39.4658 -37.4364 -37.4364 -33.5479 -33.5479 -33.5019 -33.5019 -11.5323 -11.5323 -11.3527 -11.3527 -11.2878 -11.2878 -7.6992 -7.6992 -6.3337 -6.3337 4.9785 4.9785 5.4414 5.4414 5.5251 5.5251 8.5779 8.5779 8.7814 8.7814 9.0163 9.0163 10.1652 10.1652 10.2212 10.2212 11.5866 11.5866 14.0920 14.0920 14.2572 14.2572 15.0877 15.0877 19.0627 19.0627 k = 0.0833-0.1290-0.0788 ( 2702 PWs) bands (ev): -66.8756 -66.8756 -39.4656 -39.4656 -37.4369 -37.4369 -33.5493 -33.5493 -33.5020 -33.5020 -11.5321 -11.5321 -11.3537 -11.3537 -11.2893 -11.2893 -7.6862 -7.6862 -6.3398 -6.3398 4.9988 4.9988 5.4434 5.4434 5.5348 5.5348 8.4957 8.4957 8.7385 8.7385 9.0216 9.0216 10.1931 10.1931 10.2647 10.2647 11.5891 11.5891 14.0567 14.0567 14.2482 14.2482 15.1495 15.1495 19.1171 19.1171 k = 0.0917-0.1419-0.0867 ( 2704 PWs) bands (ev): -66.8754 -66.8754 -39.4653 -39.4653 -37.4375 -37.4375 -33.5508 -33.5508 -33.5022 -33.5022 -11.5320 -11.5320 -11.3548 -11.3548 -11.2910 -11.2910 -7.6720 -7.6720 -6.3464 -6.3464 5.0207 5.0207 5.4457 5.4457 5.5458 5.5458 8.4100 8.4100 8.6947 8.6947 9.0272 9.0272 10.2201 10.2201 10.3092 10.3092 11.5917 11.5917 14.0184 14.0184 14.2391 14.2391 15.2168 15.2168 19.1752 19.1752 k = 0.1000-0.1549-0.0946 ( 2704 PWs) bands (ev): -66.8752 -66.8752 -39.4651 -39.4651 -37.4382 -37.4382 -33.5525 -33.5525 -33.5023 -33.5023 -11.5318 -11.5318 -11.3561 -11.3561 -11.2927 -11.2927 -7.6566 -7.6566 -6.3536 -6.3536 5.0441 5.0441 5.4485 5.4485 5.5581 5.5581 8.3214 8.3214 8.6505 8.6505 9.0328 9.0328 10.2459 10.2459 10.3543 10.3543 11.5942 11.5942 13.9776 13.9776 14.2300 14.2300 15.2893 15.2893 19.2365 19.2365 k = 0.1083-0.1678-0.1025 ( 2706 PWs) bands (ev): -66.8750 -66.8750 -39.4648 -39.4648 -37.4389 -37.4389 -33.5543 -33.5543 -33.5024 -33.5024 -11.5317 -11.5317 -11.3574 -11.3574 -11.2946 -11.2946 -7.6400 -7.6400 -6.3612 -6.3612 5.0688 5.0688 5.4520 5.4520 5.5716 5.5716 8.2303 8.2303 8.6061 8.6061 9.0383 9.0383 10.2704 10.2704 10.3994 10.3994 11.5967 11.5967 13.9348 13.9348 14.2209 14.2209 15.3666 15.3666 19.3005 19.3005 k = 0.1167-0.1807-0.1104 ( 2705 PWs) bands (ev): -66.8748 -66.8748 -39.4646 -39.4646 -37.4397 -37.4397 -33.5562 -33.5562 -33.5026 -33.5026 -11.5316 -11.5316 -11.3589 -11.3589 -11.2964 -11.2964 -7.6224 -7.6224 -6.3693 -6.3693 5.0943 5.0943 5.4566 5.4566 5.5861 5.5861 8.1372 8.1372 8.5619 8.5619 9.0437 9.0437 10.2935 10.2935 10.4445 10.4445 11.5991 11.5991 13.8906 13.8906 14.2117 14.2117 15.4484 15.4484 19.3666 19.3666 k = 0.1250-0.1936-0.1182 ( 2699 PWs) bands (ev): -66.8746 -66.8746 -39.4642 -39.4642 -37.4405 -37.4405 -33.5582 -33.5582 -33.5027 -33.5027 -11.5316 -11.5316 -11.3604 -11.3604 -11.2983 -11.2983 -7.6037 -7.6037 -6.3777 -6.3777 5.1204 5.1204 5.4627 5.4627 5.6016 5.6016 8.0426 8.0426 8.5180 8.5180 9.0487 9.0487 10.3152 10.3152 10.4891 10.4891 11.6013 11.6013 13.8453 13.8453 14.2025 14.2025 15.5344 15.5344 19.4343 19.4343 k = 0.1333-0.2065-0.1261 ( 2691 PWs) bands (ev): -66.8744 -66.8744 -39.4639 -39.4639 -37.4413 -37.4413 -33.5604 -33.5604 -33.5028 -33.5028 -11.5315 -11.5315 -11.3620 -11.3620 -11.3001 -11.3001 -7.5840 -7.5840 -6.3866 -6.3866 5.1465 5.1465 5.4708 5.4708 5.6181 5.6181 7.9469 7.9469 8.4747 8.4747 9.0531 9.0531 10.3355 10.3355 10.5330 10.5330 11.6034 11.6034 13.7995 13.7995 14.1933 14.1933 15.6242 15.6242 19.5031 19.5031 k = 0.1417-0.2194-0.1340 ( 2692 PWs) bands (ev): -66.8741 -66.8741 -39.4636 -39.4636 -37.4422 -37.4422 -33.5627 -33.5627 -33.5029 -33.5029 -11.5316 -11.5316 -11.3637 -11.3637 -11.3021 -11.3021 -7.5634 -7.5634 -6.3958 -6.3958 5.1721 5.1721 5.4815 5.4815 5.6353 5.6353 7.8504 7.8504 8.4321 8.4321 9.0567 9.0567 10.3542 10.3542 10.5760 10.5760 11.6052 11.6052 13.7535 13.7535 14.1842 14.1842 15.7174 15.7174 19.5724 19.5724 k = 0.1500-0.2323-0.1419 ( 2690 PWs) bands (ev): -66.8738 -66.8738 -39.4633 -39.4633 -37.4431 -37.4431 -33.5650 -33.5650 -33.5031 -33.5031 -11.5318 -11.5318 -11.3655 -11.3655 -11.3039 -11.3039 -7.5419 -7.5419 -6.4053 -6.4053 5.1965 5.1965 5.4953 5.4953 5.6533 5.6533 7.7533 7.7533 8.3905 8.3905 9.0594 9.0594 10.3715 10.3715 10.6178 10.6178 11.6067 11.6067 13.7078 13.7078 14.1753 14.1753 15.8138 15.8138 19.6416 19.6416 k = 0.1583-0.2452-0.1498 ( 2694 PWs) bands (ev): -66.8736 -66.8736 -39.4629 -39.4629 -37.4441 -37.4441 -33.5675 -33.5675 -33.5032 -33.5032 -11.5320 -11.5320 -11.3674 -11.3674 -11.3058 -11.3058 -7.5197 -7.5197 -6.4150 -6.4150 5.2192 5.2192 5.5129 5.5129 5.6718 5.6718 7.6561 7.6561 8.3500 8.3500 9.0609 9.0609 10.3874 10.3874 10.6584 10.6584 11.6080 11.6080 13.6628 13.6628 14.1667 14.1667 15.9130 15.9130 19.7103 19.7103 k = 0.1667-0.2581-0.1576 ( 2697 PWs) bands (ev): -66.8733 -66.8733 -39.4625 -39.4625 -37.4452 -37.4452 -33.5701 -33.5701 -33.5033 -33.5033 -11.5324 -11.5324 -11.3694 -11.3694 -11.3077 -11.3077 -7.4966 -7.4966 -6.4250 -6.4250 5.2397 5.2397 5.5347 5.5347 5.6909 5.6909 7.5590 7.5590 8.3107 8.3107 9.0611 9.0611 10.4019 10.4019 10.6974 10.6974 11.6089 11.6089 13.6188 13.6188 14.1583 14.1583 16.0148 16.0148 19.7778 19.7778 k = 0.1750-0.2710-0.1655 ( 2691 PWs) bands (ev): -66.8730 -66.8730 -39.4622 -39.4622 -37.4462 -37.4462 -33.5728 -33.5728 -33.5034 -33.5034 -11.5328 -11.5328 -11.3713 -11.3713 -11.3094 -11.3094 -7.4729 -7.4729 -6.4351 -6.4351 5.2576 5.2576 5.5609 5.5609 5.7105 5.7105 7.4624 7.4624 8.2728 8.2728 9.0598 9.0598 10.4149 10.4149 10.7349 10.7349 11.6095 11.6095 13.5762 13.5762 14.1504 14.1504 16.1189 16.1189 19.8438 19.8438 k = 0.1833-0.2839-0.1734 ( 2691 PWs) bands (ev): -66.8727 -66.8727 -39.4618 -39.4618 -37.4472 -37.4472 -33.5755 -33.5755 -33.5035 -33.5035 -11.5334 -11.5334 -11.3733 -11.3733 -11.3111 -11.3111 -7.4487 -7.4487 -6.4454 -6.4454 5.2731 5.2731 5.5914 5.5914 5.7304 5.7304 7.3664 7.3664 8.2364 8.2364 9.0566 9.0566 10.4266 10.4266 10.7706 10.7706 11.6096 11.6096 13.5354 13.5354 14.1430 14.1430 16.2250 16.2250 19.9075 19.9075 k = 0.1917-0.2968-0.1813 ( 2689 PWs) bands (ev): -66.8724 -66.8724 -39.4614 -39.4614 -37.4483 -37.4483 -33.5783 -33.5783 -33.5036 -33.5036 -11.5341 -11.5341 -11.3753 -11.3753 -11.3128 -11.3128 -7.4239 -7.4239 -6.4557 -6.4557 5.2862 5.2862 5.6259 5.6259 5.7506 5.7506 7.2715 7.2715 8.2016 8.2016 9.0515 9.0515 10.4370 10.4370 10.8044 10.8044 11.6093 11.6093 13.4966 13.4966 14.1362 14.1362 16.3330 16.3330 19.9687 19.9687 k = 0.2000-0.3097-0.1892 ( 2696 PWs) bands (ev): -66.8721 -66.8721 -39.4610 -39.4610 -37.4495 -37.4495 -33.5812 -33.5812 -33.5037 -33.5037 -11.5350 -11.5350 -11.3773 -11.3773 -11.3144 -11.3144 -7.3986 -7.3986 -6.4661 -6.4661 5.2973 5.2973 5.6636 5.6636 5.7711 5.7711 7.1779 7.1779 8.1686 8.1686 9.0442 9.0442 10.4461 10.4461 10.8362 10.8362 11.6086 11.6086 13.4601 13.4601 14.1300 14.1300 16.4425 16.4425 20.0268 20.0268 k = 0.2083-0.3226-0.1971 ( 2698 PWs) bands (ev): -66.8718 -66.8718 -39.4606 -39.4606 -37.4506 -37.4506 -33.5841 -33.5841 -33.5038 -33.5038 -11.5360 -11.5360 -11.3793 -11.3793 -11.3159 -11.3159 -7.3730 -7.3730 -6.4765 -6.4765 5.3070 5.3070 5.7040 5.7040 5.7921 5.7921 7.0859 7.0859 8.1374 8.1374 9.0345 9.0345 10.4539 10.4539 10.8659 10.8659 11.6073 11.6073 13.4263 13.4263 14.1245 14.1245 16.5533 16.5533 20.0814 20.0814 k = 0.2167-0.3355-0.2049 ( 2698 PWs) bands (ev): -66.8715 -66.8715 -39.4602 -39.4602 -37.4518 -37.4518 -33.5871 -33.5871 -33.5039 -33.5039 -11.5372 -11.5372 -11.3812 -11.3812 -11.3173 -11.3173 -7.3471 -7.3471 -6.4868 -6.4868 5.3154 5.3154 5.7458 5.7458 5.8139 5.8139 6.9959 6.9959 8.1081 8.1081 9.0224 9.0224 10.4605 10.4605 10.8935 10.8935 11.6055 11.6055 13.3954 13.3954 14.1198 14.1198 16.6653 16.6653 20.1322 20.1322 k = 0.2250-0.3484-0.2128 ( 2698 PWs) bands (ev): -66.8712 -66.8712 -39.4597 -39.4597 -37.4530 -37.4530 -33.5901 -33.5901 -33.5039 -33.5039 -11.5386 -11.5386 -11.3831 -11.3831 -11.3186 -11.3186 -7.3210 -7.3210 -6.4971 -6.4971 5.3228 5.3228 5.7870 5.7870 5.8379 5.8379 6.9083 6.9083 8.0809 8.0809 9.0076 9.0076 10.4659 10.4659 10.9188 10.9188 11.6031 11.6031 13.3675 13.3675 14.1160 14.1160 16.7782 16.7782 20.1790 20.1790 k = 0.2333-0.3613-0.2207 ( 2698 PWs) bands (ev): -66.8708 -66.8708 -39.4593 -39.4593 -37.4542 -37.4542 -33.5931 -33.5931 -33.5040 -33.5040 -11.5401 -11.5401 -11.3848 -11.3848 -11.3198 -11.3198 -7.2948 -7.2948 -6.5072 -6.5072 5.3296 5.3296 5.8232 5.8232 5.8678 5.8678 6.8237 6.8237 8.0558 8.0558 8.9901 8.9901 10.4702 10.4702 10.9418 10.9418 11.6000 11.6000 13.3429 13.3429 14.1130 14.1130 16.8918 16.8918 20.2214 20.2214 k = 0.2417-0.3742-0.2286 ( 2700 PWs) bands (ev): -66.8705 -66.8705 -39.4589 -39.4589 -37.4553 -37.4553 -33.5962 -33.5962 -33.5041 -33.5041 -11.5418 -11.5418 -11.3866 -11.3866 -11.3210 -11.3210 -7.2685 -7.2685 -6.5171 -6.5171 5.3356 5.3356 5.8509 5.8509 5.9065 5.9065 6.7425 6.7425 8.0330 8.0330 8.9698 8.9698 10.4733 10.4733 10.9624 10.9624 11.5963 11.5963 13.3217 13.3217 14.1110 14.1110 17.0060 17.0060 20.2594 20.2594 k = 0.2500-0.3871-0.2365 ( 2699 PWs) bands (ev): -66.8702 -66.8702 -39.4584 -39.4584 -37.4565 -37.4565 -33.5993 -33.5993 -33.5041 -33.5041 -11.5437 -11.5437 -11.3882 -11.3882 -11.3220 -11.3220 -7.2424 -7.2424 -6.5267 -6.5267 5.3410 5.3410 5.8727 5.8727 5.9504 5.9504 6.6657 6.6657 8.0123 8.0123 8.9467 8.9467 10.4754 10.4754 10.9807 10.9807 11.5918 11.5918 13.3040 13.3040 14.1099 14.1099 17.1207 17.1207 20.2928 20.2928 k = 0.2583-0.4000-0.2444 ( 2695 PWs) bands (ev): -66.8699 -66.8699 -39.4580 -39.4580 -37.4577 -37.4577 -33.6023 -33.6023 -33.5042 -33.5042 -11.5456 -11.5456 -11.3896 -11.3896 -11.3230 -11.3230 -7.2164 -7.2164 -6.5360 -6.5360 5.3456 5.3456 5.8917 5.8917 5.9953 5.9953 6.5945 6.5945 7.9940 7.9940 8.9208 8.9208 10.4763 10.4763 10.9966 10.9966 11.5866 11.5866 13.2899 13.2899 14.1097 14.1097 17.2355 17.2355 20.3217 20.3217 k = 0.2667-0.4129-0.2522 ( 2693 PWs) bands (ev): -66.8695 -66.8695 -39.4576 -39.4576 -37.4589 -37.4589 -33.6054 -33.6054 -33.5042 -33.5042 -11.5478 -11.5478 -11.3910 -11.3910 -11.3239 -11.3239 -7.1907 -7.1907 -6.5450 -6.5450 5.3493 5.3493 5.9090 5.9090 6.0383 6.0383 6.5307 6.5307 7.9781 7.9781 8.8922 8.8922 10.4762 10.4762 11.0102 11.0102 11.5806 11.5806 13.2795 13.2795 14.1106 14.1106 17.3505 17.3505 20.3461 20.3461 k = 0.2750-0.4258-0.2601 ( 2691 PWs) bands (ev): -66.8692 -66.8692 -39.4571 -39.4571 -37.4601 -37.4601 -33.6084 -33.6084 -33.5042 -33.5042 -11.5501 -11.5501 -11.3923 -11.3923 -11.3247 -11.3247 -7.1653 -7.1653 -6.5536 -6.5536 5.3517 5.3517 5.9250 5.9250 6.0762 6.0762 6.4772 6.4772 7.9644 7.9644 8.8609 8.8609 10.4750 10.4750 11.0214 11.0214 11.5738 11.5738 13.2727 13.2727 14.1123 14.1123 17.4654 17.4654 20.3661 20.3661 k = 0.2833-0.4387-0.2680 ( 2687 PWs) bands (ev): -66.8689 -66.8689 -39.4567 -39.4567 -37.4613 -37.4613 -33.6114 -33.6114 -33.5043 -33.5043 -11.5525 -11.5525 -11.3935 -11.3935 -11.3254 -11.3254 -7.1405 -7.1405 -6.5617 -6.5617 5.3525 5.3525 5.9398 5.9398 6.1044 6.1044 6.4390 6.4390 7.9532 7.9532 8.8270 8.8270 10.4728 10.4728 11.0304 11.0304 11.5662 11.5662 13.2695 13.2695 14.1150 14.1150 17.5801 17.5801 20.3818 20.3818 k = 0.2917-0.4517-0.2759 ( 2686 PWs) bands (ev): -66.8686 -66.8686 -39.4563 -39.4563 -37.4624 -37.4624 -33.6143 -33.6143 -33.5043 -33.5043 -11.5551 -11.5551 -11.3945 -11.3945 -11.3260 -11.3260 -7.1162 -7.1162 -6.5693 -6.5693 5.3512 5.3512 5.9534 5.9534 6.1175 6.1175 6.4218 6.4218 7.9442 7.9442 8.7909 8.7909 10.4695 10.4695 11.0372 11.0372 11.5578 11.5578 13.2698 13.2698 14.1186 14.1186 17.6945 17.6945 20.3934 20.3934 k = 0.3000-0.4646-0.2838 ( 2682 PWs) bands (ev): -66.8683 -66.8683 -39.4559 -39.4559 -37.4636 -37.4636 -33.6173 -33.6173 -33.5043 -33.5043 -11.5577 -11.5577 -11.3955 -11.3955 -11.3266 -11.3266 -7.0926 -7.0926 -6.5762 -6.5762 5.3472 5.3472 5.9660 5.9660 6.1135 6.1135 6.4277 6.4277 7.9376 7.9376 8.7526 8.7526 10.4652 10.4652 11.0418 11.0418 11.5487 11.5487 13.2734 13.2734 14.1229 14.1229 17.8084 17.8084 20.4012 20.4012 k = 0.3083-0.4775-0.2916 ( 2682 PWs) bands (ev): -66.8680 -66.8680 -39.4555 -39.4555 -37.4647 -37.4647 -33.6201 -33.6201 -33.5044 -33.5044 -11.5604 -11.5604 -11.3964 -11.3964 -11.3271 -11.3271 -7.0699 -7.0699 -6.5825 -6.5825 5.3400 5.3400 5.9773 5.9773 6.0977 6.0977 6.4521 6.4521 7.9332 7.9332 8.7124 8.7124 10.4599 10.4599 11.0444 11.0444 11.5388 11.5388 13.2802 13.2802 14.1281 14.1281 17.9219 17.9219 20.4054 20.4054 k = 0.3167-0.4904-0.2995 ( 2684 PWs) bands (ev): -66.8677 -66.8677 -39.4551 -39.4551 -37.4658 -37.4658 -33.6230 -33.6230 -33.5044 -33.5044 -11.5632 -11.5632 -11.3972 -11.3972 -11.3275 -11.3275 -7.0481 -7.0481 -6.5881 -6.5881 5.3291 5.3291 5.9876 5.9876 6.0776 6.0776 6.4877 6.4877 7.9309 7.9309 8.6708 8.6708 10.4536 10.4536 11.0450 11.0450 11.5282 11.5282 13.2900 13.2900 14.1340 14.1340 18.0346 18.0346 20.4063 20.4063 k = 0.3250-0.5033-0.3074 ( 2682 PWs) bands (ev): -66.8674 -66.8674 -39.4547 -39.4547 -37.4669 -37.4669 -33.6257 -33.6257 -33.5044 -33.5044 -11.5660 -11.5660 -11.3980 -11.3980 -11.3278 -11.3278 -7.0273 -7.0273 -6.5929 -6.5929 5.3140 5.3140 5.9968 5.9968 6.0590 6.0590 6.5288 6.5288 7.9306 7.9306 8.6279 8.6279 10.4463 10.4463 11.0439 11.0439 11.5170 11.5170 13.3026 13.3026 14.1404 14.1404 18.1467 18.1467 20.4042 20.4042 k = 0.3333-0.5162-0.3153 ( 2682 PWs) bands (ev): -66.8671 -66.8671 -39.4543 -39.4543 -37.4680 -37.4680 -33.6284 -33.6284 -33.5044 -33.5044 -11.5689 -11.5689 -11.3986 -11.3986 -11.3281 -11.3281 -7.0078 -7.0078 -6.5968 -6.5968 5.2948 5.2948 6.0049 6.0049 6.0448 6.0448 6.5723 6.5723 7.9323 7.9323 8.5843 8.5843 10.4380 10.4380 11.0411 11.0411 11.5053 11.5053 13.3176 13.3176 14.1475 14.1475 18.2579 18.2579 20.3994 20.3994 k = 0.3417-0.5291-0.3232 ( 2682 PWs) bands (ev): -66.8668 -66.8668 -39.4539 -39.4539 -37.4690 -37.4690 -33.6310 -33.6310 -33.5045 -33.5045 -11.5718 -11.5718 -11.3992 -11.3992 -11.3283 -11.3283 -6.9895 -6.9895 -6.5998 -6.5998 5.2717 5.2717 6.0120 6.0120 6.0367 6.0367 6.6161 6.6161 7.9356 7.9356 8.5404 8.5404 10.4287 10.4287 11.0368 11.0368 11.4932 11.4932 13.3348 13.3348 14.1550 14.1550 18.3682 18.3682 20.3922 20.3922 k = 0.3500-0.5420-0.3311 ( 2680 PWs) bands (ev): -66.8665 -66.8665 -39.4536 -39.4536 -37.4700 -37.4700 -33.6335 -33.6335 -33.5045 -33.5045 -11.5746 -11.5746 -11.3998 -11.3998 -11.3284 -11.3284 -6.9726 -6.9726 -6.6018 -6.6018 5.2451 5.2451 6.0176 6.0176 6.0354 6.0354 6.6590 6.6590 7.9406 7.9406 8.4966 8.4966 10.4185 10.4185 11.0312 11.0312 11.4809 11.4809 13.3538 13.3538 14.1628 14.1628 18.4775 18.4775 20.3831 20.3831 k = 0.3583-0.5549-0.3389 ( 2678 PWs) bands (ev): -66.8663 -66.8663 -39.4532 -39.4532 -37.4709 -37.4709 -33.6359 -33.6359 -33.5045 -33.5045 -11.5774 -11.5774 -11.4002 -11.4002 -11.3285 -11.3285 -6.9571 -6.9571 -6.6029 -6.6029 5.2157 5.2157 6.0217 6.0217 6.0409 6.0409 6.6998 6.6998 7.9469 7.9469 8.4535 8.4535 10.4075 10.4075 11.0244 11.0244 11.4683 11.4683 13.3744 13.3744 14.1710 14.1710 18.5859 18.5859 20.3722 20.3722 k = 0.3667-0.5678-0.3468 ( 2676 PWs) bands (ev): -66.8660 -66.8660 -39.4529 -39.4529 -37.4718 -37.4718 -33.6383 -33.6383 -33.5045 -33.5045 -11.5801 -11.5801 -11.4007 -11.4007 -11.3285 -11.3285 -6.9432 -6.9432 -6.6029 -6.6029 5.1843 5.1843 6.0252 6.0252 6.0521 6.0521 6.7379 6.7379 7.9544 7.9544 8.4116 8.4116 10.3956 10.3956 11.0166 11.0166 11.4558 11.4558 13.3962 13.3962 14.1793 14.1793 18.6931 18.6931 20.3599 20.3599 k = 0.3750-0.5807-0.3547 ( 2672 PWs) bands (ev): -66.8658 -66.8658 -39.4526 -39.4526 -37.4727 -37.4727 -33.6404 -33.6404 -33.5045 -33.5045 -11.5827 -11.5827 -11.4011 -11.4011 -11.3285 -11.3285 -6.9308 -6.9308 -6.6020 -6.6020 5.1518 5.1518 6.0282 6.0282 6.0682 6.0682 6.7723 6.7723 7.9629 7.9629 8.3715 8.3715 10.3830 10.3830 11.0081 11.0081 11.4433 11.4433 13.4189 13.4189 14.1876 14.1876 18.7993 18.7993 20.3466 20.3466 k = 0.3833-0.5936-0.3626 ( 2674 PWs) bands (ev): -66.8656 -66.8656 -39.4523 -39.4523 -37.4735 -37.4735 -33.6426 -33.6426 -33.5045 -33.5045 -11.5853 -11.5853 -11.4014 -11.4014 -11.3285 -11.3285 -6.9200 -6.9200 -6.6001 -6.6001 5.1188 5.1188 6.0307 6.0307 6.0888 6.0888 6.8024 6.8024 7.9720 7.9720 8.3338 8.3338 10.3697 10.3697 10.9990 10.9990 11.4310 11.4310 13.4420 13.4420 14.1960 14.1960 18.9043 18.9043 20.3325 20.3325 k = 0.3917-0.6065-0.3705 ( 2674 PWs) bands (ev): -66.8654 -66.8654 -39.4520 -39.4520 -37.4743 -37.4743 -33.6445 -33.6445 -33.5045 -33.5045 -11.5878 -11.5878 -11.4018 -11.4018 -11.3284 -11.3284 -6.9106 -6.9106 -6.5974 -6.5974 5.0861 5.0861 6.0327 6.0327 6.1135 6.1135 6.8275 6.8275 7.9817 7.9817 8.2991 8.2991 10.3559 10.3559 10.9895 10.9895 11.4191 11.4191 13.4654 13.4654 14.2042 14.2042 19.0082 19.0082 20.3180 20.3180 k = 0.4000-0.6194-0.3784 ( 2675 PWs) bands (ev): -66.8652 -66.8652 -39.4517 -39.4517 -37.4751 -37.4751 -33.6464 -33.6464 -33.5045 -33.5045 -11.5902 -11.5902 -11.4021 -11.4021 -11.3283 -11.3283 -6.9026 -6.9026 -6.5940 -6.5940 5.0542 5.0542 6.0341 6.0341 6.1418 6.1418 6.8470 6.8470 7.9916 7.9916 8.2679 8.2679 10.3418 10.3418 10.9797 10.9797 11.4076 11.4076 13.4885 13.4885 14.2122 14.2122 19.1109 19.1109 20.3034 20.3034 k = 0.4083-0.6323-0.3862 ( 2674 PWs) bands (ev): -66.8650 -66.8650 -39.4515 -39.4515 -37.4758 -37.4758 -33.6481 -33.6481 -33.5045 -33.5045 -11.5924 -11.5924 -11.4023 -11.4023 -11.3282 -11.3282 -6.8960 -6.8960 -6.5901 -6.5901 5.0237 5.0237 6.0351 6.0351 6.1732 6.1732 6.8604 6.8604 8.0015 8.0015 8.2406 8.2406 10.3276 10.3276 10.9699 10.9699 11.3966 11.3966 13.5112 13.5112 14.2199 14.2199 19.2123 19.2123 20.2888 20.2888 k = 0.4167-0.6452-0.3941 ( 2680 PWs) bands (ev): -66.8648 -66.8648 -39.4513 -39.4513 -37.4764 -37.4764 -33.6497 -33.6497 -33.5045 -33.5045 -11.5945 -11.5945 -11.4026 -11.4026 -11.3281 -11.3281 -6.8905 -6.8905 -6.5858 -6.5858 4.9947 4.9947 6.0357 6.0357 6.2073 6.2073 6.8672 6.8672 8.0111 8.0111 8.2176 8.2176 10.3133 10.3133 10.9603 10.9603 11.3863 11.3863 13.5331 13.5331 14.2272 14.2272 19.3124 19.3124 20.2745 20.2745 k = 0.4250-0.6581-0.4020 ( 2678 PWs) bands (ev): -66.8646 -66.8646 -39.4511 -39.4511 -37.4770 -37.4770 -33.6512 -33.6512 -33.5045 -33.5045 -11.5964 -11.5964 -11.4028 -11.4028 -11.3280 -11.3280 -6.8860 -6.8860 -6.5812 -6.5812 4.9679 4.9679 6.0360 6.0360 6.2439 6.2439 6.8674 6.8674 8.0203 8.0203 8.1989 8.1989 10.2993 10.2993 10.9510 10.9510 11.3768 11.3768 13.5539 13.5539 14.2341 14.2341 19.4112 19.4112 20.2608 20.2608 k = 0.4333-0.6710-0.4099 ( 2675 PWs) bands (ev): -66.8645 -66.8645 -39.4509 -39.4509 -37.4775 -37.4775 -33.6525 -33.6525 -33.5045 -33.5045 -11.5981 -11.5981 -11.4030 -11.4030 -11.3279 -11.3279 -6.8824 -6.8824 -6.5767 -6.5767 4.9432 4.9432 6.0360 6.0360 6.2825 6.2825 6.8609 6.8609 8.0289 8.0289 8.1845 8.1845 10.2858 10.2858 10.9422 10.9422 11.3681 11.3681 13.5733 13.5733 14.2405 14.2405 19.5085 19.5085 20.2478 20.2478 k = 0.4417-0.6839-0.4178 ( 2681 PWs) bands (ev): -66.8644 -66.8644 -39.4507 -39.4507 -37.4780 -37.4780 -33.6537 -33.6537 -33.5046 -33.5046 -11.5997 -11.5997 -11.4032 -11.4032 -11.3278 -11.3278 -6.8796 -6.8796 -6.5723 -6.5723 4.9211 4.9211 6.0359 6.0359 6.3228 6.3228 6.8480 6.8480 8.0366 8.0366 8.1740 8.1740 10.2731 10.2731 10.9340 10.9340 11.3603 11.3603 13.5911 13.5911 14.2463 14.2463 19.6041 19.6041 20.2356 20.2356 k = 0.4500-0.6968-0.4257 ( 2677 PWs) bands (ev): -66.8643 -66.8643 -39.4506 -39.4506 -37.4784 -37.4784 -33.6547 -33.6547 -33.5045 -33.5045 -11.6010 -11.6010 -11.4034 -11.4034 -11.3276 -11.3276 -6.8774 -6.8774 -6.5681 -6.5681 4.9016 4.9016 6.0357 6.0357 6.3645 6.3645 6.8292 6.8292 8.0435 8.0435 8.1668 8.1668 10.2614 10.2614 10.9267 10.9267 11.3534 11.3534 13.6070 13.6070 14.2514 14.2514 19.6977 19.6977 20.2244 20.2244 k = 0.4583-0.7097-0.4335 ( 2674 PWs) bands (ev): -66.8642 -66.8642 -39.4504 -39.4504 -37.4787 -37.4787 -33.6555 -33.6555 -33.5045 -33.5045 -11.6022 -11.6022 -11.4035 -11.4035 -11.3275 -11.3275 -6.8757 -6.8757 -6.5644 -6.5644 4.8849 4.8849 6.0354 6.0354 6.4072 6.4072 6.8049 6.8049 8.0495 8.0495 8.1624 8.1624 10.2509 10.2509 10.9202 10.9202 11.3475 11.3475 13.6208 13.6208 14.2558 14.2558 19.7885 19.7885 20.2141 20.2141 k = 0.4667-0.7226-0.4414 ( 2676 PWs) bands (ev): -66.8641 -66.8641 -39.4504 -39.4504 -37.4790 -37.4790 -33.6562 -33.6562 -33.5045 -33.5045 -11.6031 -11.6031 -11.4036 -11.4036 -11.3274 -11.3274 -6.8744 -6.8744 -6.5612 -6.5612 4.8711 4.8711 6.0351 6.0351 6.4507 6.4507 6.7759 6.7759 8.0544 8.0544 8.1599 8.1599 10.2420 10.2420 10.9148 10.9148 11.3426 11.3426 13.6323 13.6323 14.2595 14.2595 19.8757 19.8757 20.2043 20.2043 k = 0.4750-0.7355-0.4493 ( 2673 PWs) bands (ev): -66.8640 -66.8640 -39.4503 -39.4503 -37.4792 -37.4792 -33.6568 -33.6568 -33.5045 -33.5045 -11.6039 -11.6039 -11.4036 -11.4036 -11.3273 -11.3273 -6.8735 -6.8735 -6.5586 -6.5586 4.8603 4.8603 6.0349 6.0349 6.4945 6.4945 6.7429 6.7429 8.0583 8.0583 8.1588 8.1588 10.2348 10.2348 10.9105 10.9105 11.3388 11.3388 13.6415 13.6415 14.2624 14.2624 19.9573 19.9573 20.1946 20.1946 k = 0.4833-0.7485-0.4572 ( 2677 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4794 -37.4794 -33.6572 -33.6572 -33.5045 -33.5045 -11.6045 -11.6045 -11.4037 -11.4037 -11.3273 -11.3273 -6.8729 -6.8729 -6.5567 -6.5567 4.8525 4.8525 6.0347 6.0347 6.5381 6.5381 6.7068 6.7068 8.0612 8.0612 8.1584 8.1584 10.2295 10.2295 10.9073 10.9073 11.3360 11.3360 13.6481 13.6481 14.2645 14.2645 20.0303 20.0303 20.1834 20.1834 k = 0.4917-0.7614-0.4651 ( 2677 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6574 -33.6574 -33.5045 -33.5045 -11.6048 -11.6048 -11.4038 -11.4038 -11.3272 -11.3272 -6.8726 -6.8726 -6.5555 -6.5555 4.8478 4.8478 6.0345 6.0345 6.5806 6.5806 6.6686 6.6686 8.0629 8.0629 8.1584 8.1584 10.2263 10.2263 10.9054 10.9054 11.3343 11.3343 13.6521 13.6521 14.2658 14.2658 20.0898 20.0898 20.1678 20.1678 k = 0.5000-0.7743-0.4729 ( 2680 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6575 -33.6575 -33.5045 -33.5045 -11.6049 -11.6049 -11.4038 -11.4038 -11.3272 -11.3272 -6.8725 -6.8725 -6.5551 -6.5551 4.8462 4.8462 6.0345 6.0345 6.6118 6.6118 6.6388 6.6388 8.0635 8.0635 8.1584 8.1584 10.2252 10.2252 10.9048 10.9048 11.3338 11.3338 13.6535 13.6535 14.2662 14.2662 20.1223 20.1223 20.1517 20.1517 k = 0.5000-0.7743-0.4729 ( 2680 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6575 -33.6575 -33.5045 -33.5045 -11.6049 -11.6049 -11.4038 -11.4038 -11.3272 -11.3272 -6.8725 -6.8725 -6.5551 -6.5551 4.8462 4.8462 6.0345 6.0345 6.6118 6.6118 6.6388 6.6388 8.0635 8.0635 8.1584 8.1584 10.2252 10.2252 10.9048 10.9048 11.3338 11.3338 13.6535 13.6535 14.2662 14.2662 20.1223 20.1223 20.1517 20.1517 k = 0.5000-0.7652-0.4878 ( 2676 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6575 -33.6575 -33.5046 -33.5046 -11.6049 -11.6049 -11.4038 -11.4038 -11.3273 -11.3273 -6.8722 -6.8722 -6.5553 -6.5553 4.8475 4.8475 6.0321 6.0321 6.6121 6.6121 6.6418 6.6418 8.0601 8.0601 8.1572 8.1572 10.2269 10.2269 10.9055 10.9055 11.3340 11.3340 13.6536 13.6536 14.2644 14.2644 20.1233 20.1233 20.1523 20.1523 k = 0.5000-0.7562-0.5026 ( 2674 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4796 -37.4796 -33.6575 -33.6575 -33.5046 -33.5046 -11.6047 -11.6047 -11.4038 -11.4038 -11.3275 -11.3275 -6.8713 -6.8713 -6.5557 -6.5557 4.8513 4.8513 6.0251 6.0251 6.6132 6.6132 6.6504 6.6504 8.0498 8.0498 8.1539 8.1539 10.2321 10.2321 10.9076 10.9076 11.3347 11.3347 13.6540 13.6540 14.2591 14.2591 20.1262 20.1262 20.1544 20.1544 k = 0.5000-0.7471-0.5174 ( 2680 PWs) bands (ev): -66.8639 -66.8639 -39.4501 -39.4501 -37.4796 -37.4796 -33.6575 -33.6575 -33.5048 -33.5048 -11.6044 -11.6044 -11.4040 -11.4040 -11.3279 -11.3279 -6.8698 -6.8698 -6.5565 -6.5565 4.8576 4.8576 6.0138 6.0138 6.6152 6.6152 6.6640 6.6640 8.0323 8.0323 8.1489 8.1489 10.2405 10.2405 10.9112 10.9112 11.3358 11.3358 13.6546 13.6546 14.2504 14.2504 20.1309 20.1309 20.1577 20.1577 k = 0.5000-0.7381-0.5322 ( 2684 PWs) bands (ev): -66.8639 -66.8639 -39.4501 -39.4501 -37.4797 -37.4797 -33.6576 -33.6576 -33.5050 -33.5050 -11.6041 -11.6041 -11.4041 -11.4041 -11.3284 -11.3284 -6.8677 -6.8677 -6.5575 -6.5575 4.8665 4.8665 5.9990 5.9990 6.6181 6.6181 6.6820 6.6820 8.0076 8.0076 8.1426 8.1426 10.2516 10.2516 10.9162 10.9162 11.3375 11.3375 13.6555 13.6555 14.2384 14.2384 20.1373 20.1373 20.1624 20.1624 k = 0.5000-0.7290-0.5470 ( 2690 PWs) bands (ev): -66.8639 -66.8639 -39.4501 -39.4501 -37.4798 -37.4798 -33.6576 -33.6576 -33.5052 -33.5052 -11.6037 -11.6037 -11.4043 -11.4043 -11.3290 -11.3290 -6.8651 -6.8651 -6.5589 -6.5589 4.8778 4.8778 5.9813 5.9813 6.6220 6.6220 6.7037 6.7037 7.9759 7.9759 8.1354 8.1354 10.2650 10.2650 10.9225 10.9225 11.3397 11.3397 13.6566 13.6566 14.2232 14.2232 20.1450 20.1450 20.1685 20.1685 k = 0.5000-0.7200-0.5618 ( 2686 PWs) bands (ev): -66.8639 -66.8639 -39.4500 -39.4500 -37.4799 -37.4799 -33.6577 -33.6577 -33.5055 -33.5055 -11.6031 -11.6031 -11.4045 -11.4045 -11.3297 -11.3297 -6.8619 -6.8619 -6.5605 -6.5605 4.8916 4.8916 5.9614 5.9614 6.6268 6.6268 6.7283 6.7283 7.9377 7.9377 8.1274 8.1274 10.2801 10.2801 10.9302 10.9302 11.3425 11.3425 13.6580 13.6580 14.2052 14.2052 20.1539 20.1539 20.1759 20.1759 k = 0.5000-0.7109-0.5767 ( 2684 PWs) bands (ev): -66.8638 -66.8638 -39.4500 -39.4500 -37.4800 -37.4800 -33.6577 -33.6577 -33.5058 -33.5058 -11.6024 -11.6024 -11.4048 -11.4048 -11.3305 -11.3305 -6.8581 -6.8581 -6.5624 -6.5624 4.9078 4.9078 5.9399 5.9399 6.6323 6.6323 6.7553 6.7553 7.8937 7.8937 8.1185 8.1185 10.2964 10.2964 10.9393 10.9393 11.3460 11.3460 13.6596 13.6596 14.1846 14.1846 20.1638 20.1638 20.1846 20.1846 k = 0.5000-0.7019-0.5915 ( 2684 PWs) bands (ev): -66.8638 -66.8638 -39.4499 -39.4499 -37.4802 -37.4802 -33.6578 -33.6578 -33.5062 -33.5062 -11.6017 -11.6017 -11.4051 -11.4051 -11.3314 -11.3314 -6.8538 -6.8538 -6.5646 -6.5646 4.9263 4.9263 5.9173 5.9173 6.6387 6.6387 6.7840 6.7840 7.8445 7.8445 8.1088 8.1088 10.3131 10.3131 10.9496 10.9496 11.3502 11.3502 13.6615 13.6615 14.1617 14.1617 20.1743 20.1743 20.1947 20.1947 k = 0.5000-0.6928-0.6063 ( 2686 PWs) bands (ev): -66.8637 -66.8637 -39.4499 -39.4499 -37.4803 -37.4803 -33.6578 -33.6578 -33.5066 -33.5066 -11.6008 -11.6008 -11.4055 -11.4055 -11.3325 -11.3325 -6.8491 -6.8491 -6.5670 -6.5670 4.9472 4.9472 5.8940 5.8940 6.6456 6.6456 6.8140 6.8140 7.7910 7.7910 8.0981 8.0981 10.3297 10.3297 10.9611 10.9611 11.3552 11.3552 13.6636 13.6636 14.1368 14.1368 20.1854 20.1854 20.2060 20.2060 k = 0.5000-0.6838-0.6211 ( 2686 PWs) bands (ev): -66.8637 -66.8637 -39.4498 -39.4498 -37.4805 -37.4805 -33.6579 -33.6579 -33.5071 -33.5071 -11.6000 -11.6000 -11.4060 -11.4060 -11.3335 -11.3335 -6.8438 -6.8438 -6.5697 -6.5697 4.9704 4.9704 5.8706 5.8706 6.6532 6.6532 6.8449 6.8449 7.7338 7.7338 8.0865 8.0865 10.3457 10.3457 10.9738 10.9738 11.3610 11.3610 13.6659 13.6659 14.1103 14.1103 20.1969 20.1969 20.2187 20.2187 k = 0.5000-0.6747-0.6359 ( 2686 PWs) bands (ev): -66.8636 -66.8636 -39.4497 -39.4497 -37.4807 -37.4807 -33.6580 -33.6580 -33.5075 -33.5075 -11.5990 -11.5990 -11.4065 -11.4065 -11.3346 -11.3346 -6.8381 -6.8381 -6.5727 -6.5727 4.9957 4.9957 5.8472 5.8472 6.6611 6.6611 6.8762 6.8762 7.6737 7.6737 8.0740 8.0740 10.3605 10.3605 10.9876 10.9876 11.3676 11.3676 13.6684 13.6684 14.0824 14.0824 20.2085 20.2085 20.2326 20.2326 k = 0.5000-0.6657-0.6507 ( 2684 PWs) bands (ev): -66.8636 -66.8636 -39.4497 -39.4497 -37.4809 -37.4809 -33.6581 -33.6581 -33.5080 -33.5080 -11.5979 -11.5979 -11.4071 -11.4071 -11.3357 -11.3357 -6.8320 -6.8320 -6.5759 -6.5759 5.0232 5.0232 5.8241 5.8241 6.6694 6.6694 6.9078 6.9078 7.6114 7.6114 8.0606 8.0606 10.3737 10.3737 11.0024 11.0024 11.3750 11.3750 13.6710 13.6710 14.0537 14.0537 20.2203 20.2203 20.2478 20.2478 k = 0.5000-0.6566-0.6655 ( 2688 PWs) bands (ev): -66.8635 -66.8635 -39.4496 -39.4496 -37.4811 -37.4811 -33.6582 -33.6582 -33.5085 -33.5085 -11.5969 -11.5969 -11.4078 -11.4078 -11.3369 -11.3369 -6.8255 -6.8255 -6.5792 -6.5792 5.0527 5.0527 5.8016 5.8016 6.6777 6.6777 6.9392 6.9392 7.5476 7.5476 8.0463 8.0463 10.3851 10.3851 11.0181 11.0181 11.3831 11.3831 13.6739 13.6739 14.0243 14.0243 20.2320 20.2320 20.2644 20.2644 k = 0.5000-0.6476-0.6804 ( 2686 PWs) bands (ev): -66.8634 -66.8634 -39.4495 -39.4495 -37.4813 -37.4813 -33.6583 -33.6583 -33.5091 -33.5091 -11.5957 -11.5957 -11.4085 -11.4085 -11.3380 -11.3380 -6.8186 -6.8186 -6.5829 -6.5829 5.0841 5.0841 5.7798 5.7798 6.6857 6.6857 6.9702 6.9702 7.4832 7.4832 8.0312 8.0312 10.3945 10.3945 11.0346 11.0346 11.3919 11.3919 13.6769 13.6769 13.9948 13.9948 20.2435 20.2435 20.2822 20.2822 k = 0.5000-0.6385-0.6952 ( 2690 PWs) bands (ev): -66.8634 -66.8634 -39.4494 -39.4494 -37.4815 -37.4815 -33.6585 -33.6585 -33.5096 -33.5096 -11.5946 -11.5946 -11.4094 -11.4094 -11.3391 -11.3391 -6.8114 -6.8114 -6.5866 -6.5866 5.1174 5.1174 5.7588 5.7588 6.6930 6.6930 7.0007 7.0007 7.4189 7.4189 8.0153 8.0153 10.4015 10.4015 11.0518 11.0518 11.4012 11.4012 13.6801 13.6801 13.9654 13.9654 20.2546 20.2546 20.3014 20.3014 k = 0.5000-0.6295-0.7100 ( 2688 PWs) bands (ev): -66.8633 -66.8633 -39.4493 -39.4493 -37.4818 -37.4818 -33.6586 -33.6586 -33.5102 -33.5102 -11.5934 -11.5934 -11.4103 -11.4103 -11.3402 -11.3402 -6.8039 -6.8039 -6.5906 -6.5906 5.1524 5.1524 5.7388 5.7388 6.6991 6.6991 7.0302 7.0302 7.3557 7.3557 7.9988 7.9988 10.4063 10.4063 11.0696 11.0696 11.4108 11.4108 13.6834 13.6834 13.9364 13.9364 20.2651 20.2651 20.3219 20.3219 k = 0.5000-0.6204-0.7248 ( 2688 PWs) bands (ev): -66.8632 -66.8632 -39.4492 -39.4492 -37.4820 -37.4820 -33.6588 -33.6588 -33.5107 -33.5107 -11.5922 -11.5922 -11.4113 -11.4113 -11.3412 -11.3412 -6.7962 -6.7962 -6.5947 -6.5947 5.1889 5.1889 5.7200 5.7200 6.7031 6.7031 7.0586 7.0586 7.2950 7.2950 7.9817 7.9817 10.4089 10.4089 11.0877 11.0877 11.4207 11.4207 13.6867 13.6867 13.9083 13.9083 20.2750 20.2750 20.3438 20.3438 k = 0.5000-0.6114-0.7396 ( 2686 PWs) bands (ev): -66.8632 -66.8632 -39.4491 -39.4491 -37.4822 -37.4822 -33.6590 -33.6590 -33.5112 -33.5112 -11.5909 -11.5909 -11.4124 -11.4124 -11.3422 -11.3422 -6.7884 -6.7884 -6.5990 -6.5990 5.2268 5.2268 5.7023 5.7023 6.7039 6.7039 7.0852 7.0852 7.2385 7.2385 7.9641 7.9641 10.4092 10.4092 11.1062 11.1062 11.4306 11.4306 13.6902 13.6902 13.8812 13.8812 20.2839 20.2839 20.3669 20.3669 k = 0.5000-0.6023-0.7544 ( 2682 PWs) bands (ev): -66.8631 -66.8631 -39.4490 -39.4490 -37.4825 -37.4825 -33.6591 -33.6591 -33.5118 -33.5118 -11.5897 -11.5897 -11.4135 -11.4135 -11.3431 -11.3431 -6.7803 -6.7803 -6.6034 -6.6034 5.2660 5.2660 5.6858 5.6858 6.7000 6.7000 7.1087 7.1087 7.1893 7.1893 7.9464 7.9464 10.4075 10.4075 11.1248 11.1248 11.4403 11.4403 13.6936 13.6936 13.8555 13.8555 20.2917 20.2917 20.3914 20.3914 k = 0.5000-0.5933-0.7693 ( 2682 PWs) bands (ev): -66.8630 -66.8630 -39.4489 -39.4489 -37.4827 -37.4827 -33.6594 -33.6594 -33.5123 -33.5123 -11.5885 -11.5885 -11.4147 -11.4147 -11.3439 -11.3439 -6.7722 -6.7722 -6.6079 -6.6079 5.3062 5.3062 5.6707 5.6707 6.6898 6.6898 7.1187 7.1187 7.1594 7.1594 7.9286 7.9286 10.4038 10.4038 11.1433 11.1433 11.4496 11.4496 13.6968 13.6968 13.8315 13.8315 20.2982 20.2982 20.4172 20.4172 k = 0.5000-0.5842-0.7841 ( 2682 PWs) bands (ev): -66.8630 -66.8630 -39.4488 -39.4488 -37.4829 -37.4829 -33.6596 -33.6596 -33.5128 -33.5128 -11.5873 -11.5873 -11.4160 -11.4160 -11.3446 -11.3446 -6.7640 -6.7640 -6.6124 -6.6124 5.3472 5.3472 5.6569 5.6569 6.6715 6.6715 7.0978 7.0978 7.1679 7.1679 7.9111 7.9111 10.3985 10.3985 11.1617 11.1617 11.4583 11.4583 13.6999 13.6999 13.8096 13.8096 20.3032 20.3032 20.4444 20.4444 k = 0.5000-0.5752-0.7989 ( 2686 PWs) bands (ev): -66.8629 -66.8629 -39.4487 -39.4487 -37.4832 -37.4832 -33.6598 -33.6598 -33.5132 -33.5132 -11.5862 -11.5862 -11.4173 -11.4173 -11.3452 -11.3452 -6.7559 -6.7559 -6.6170 -6.6170 5.3886 5.3886 5.6446 5.6446 6.6443 6.6443 7.0758 7.0758 7.1857 7.1857 7.8941 7.8941 10.3917 10.3917 11.1796 11.1796 11.4663 11.4663 13.7024 13.7024 13.7901 13.7901 20.3063 20.3063 20.4729 20.4729 k = 0.5000-0.5661-0.8137 ( 2684 PWs) bands (ev): -66.8628 -66.8628 -39.4487 -39.4487 -37.4834 -37.4834 -33.6600 -33.6600 -33.5137 -33.5137 -11.5851 -11.5851 -11.4185 -11.4185 -11.3458 -11.3458 -6.7478 -6.7478 -6.6217 -6.6217 5.4301 5.4301 5.6339 5.6339 6.6090 6.6090 7.0623 7.0623 7.2026 7.2026 7.8782 7.8782 10.3836 10.3836 11.1971 11.1971 11.4734 11.4734 13.7039 13.7039 13.7735 13.7735 20.3073 20.3073 20.5027 20.5027 k = 0.5000-0.5571-0.8285 ( 2684 PWs) bands (ev): -66.8628 -66.8628 -39.4486 -39.4486 -37.4836 -37.4836 -33.6602 -33.6602 -33.5141 -33.5141 -11.5841 -11.5841 -11.4198 -11.4198 -11.3463 -11.3463 -6.7399 -6.7399 -6.6264 -6.6264 5.4711 5.4711 5.6251 5.6251 6.5672 6.5672 7.0570 7.0570 7.2171 7.2171 7.8637 7.8637 10.3746 10.3746 11.2138 11.2138 11.4795 11.4795 13.7037 13.7037 13.7608 13.7608 20.3061 20.3061 20.5338 20.5338 k = 0.5000-0.5480-0.8433 ( 2682 PWs) bands (ev): -66.8627 -66.8627 -39.4485 -39.4485 -37.4838 -37.4838 -33.6604 -33.6604 -33.5145 -33.5145 -11.5831 -11.5831 -11.4210 -11.4210 -11.3467 -11.3467 -6.7321 -6.7321 -6.6310 -6.6310 5.5103 5.5103 5.6190 5.6190 6.5211 6.5211 7.0585 7.0585 7.2285 7.2285 7.8511 7.8511 10.3648 10.3648 11.2297 11.2297 11.4844 11.4844 13.7012 13.7012 13.7526 13.7526 20.3022 20.3022 20.5663 20.5663 k = 0.5000-0.5390-0.8581 ( 2682 PWs) bands (ev): -66.8626 -66.8626 -39.4484 -39.4484 -37.4840 -37.4840 -33.6606 -33.6606 -33.5148 -33.5148 -11.5822 -11.5822 -11.4222 -11.4222 -11.3470 -11.3470 -6.7246 -6.7246 -6.6356 -6.6356 5.5450 5.5450 5.6179 5.6179 6.4729 6.4729 7.0649 7.0649 7.2363 7.2363 7.8409 7.8409 10.3545 10.3545 11.2445 11.2445 11.4882 11.4882 13.6963 13.6963 13.7489 13.7489 20.2954 20.2954 20.6001 20.6001 k = 0.5000-0.5299-0.8730 ( 2682 PWs) bands (ev): -66.8626 -66.8626 -39.4483 -39.4483 -37.4842 -37.4842 -33.6608 -33.6608 -33.5151 -33.5151 -11.5815 -11.5815 -11.4232 -11.4232 -11.3473 -11.3473 -6.7174 -6.7174 -6.6400 -6.6400 5.5682 5.5682 5.6281 5.6281 6.4246 6.4246 7.0748 7.0748 7.2401 7.2401 7.8337 7.8337 10.3440 10.3440 11.2581 11.2581 11.4908 11.4908 13.6901 13.6901 13.7485 13.7485 20.2855 20.2855 20.6352 20.6352 k = 0.5000-0.5209-0.8878 ( 2682 PWs) bands (ev): -66.8625 -66.8625 -39.4483 -39.4483 -37.4844 -37.4844 -33.6610 -33.6610 -33.5154 -33.5154 -11.5808 -11.5808 -11.4242 -11.4242 -11.3475 -11.3475 -6.7106 -6.7106 -6.6443 -6.6443 5.5762 5.5762 5.6524 5.6524 6.3779 6.3779 7.0873 7.0873 7.2397 7.2397 7.8297 7.8297 10.3335 10.3335 11.2702 11.2702 11.4922 11.4922 13.6840 13.6840 13.7501 13.7501 20.2722 20.2722 20.6717 20.6717 k = 0.5000-0.5118-0.9026 ( 2678 PWs) bands (ev): -66.8625 -66.8625 -39.4482 -39.4482 -37.4845 -37.4845 -33.6612 -33.6612 -33.5156 -33.5156 -11.5802 -11.5802 -11.4250 -11.4250 -11.3476 -11.3476 -6.7044 -6.7044 -6.6484 -6.6484 5.5772 5.5772 5.6817 5.6817 6.3344 6.3344 7.1014 7.1014 7.2351 7.2351 7.8293 7.8293 10.3233 10.3233 11.2807 11.2807 11.4926 11.4926 13.6788 13.6788 13.7529 13.7529 20.2553 20.2553 20.7095 20.7095 k = 0.5000-0.5028-0.9174 ( 2674 PWs) bands (ev): -66.8625 -66.8625 -39.4482 -39.4482 -37.4846 -37.4846 -33.6614 -33.6614 -33.5158 -33.5158 -11.5797 -11.5797 -11.4257 -11.4257 -11.3477 -11.3477 -6.6988 -6.6988 -6.6522 -6.6522 5.5764 5.5764 5.7092 5.7092 6.2960 6.2960 7.1164 7.1164 7.2266 7.2266 7.8326 7.8326 10.3137 10.3137 11.2893 11.2893 11.4919 11.4919 13.6747 13.6747 13.7562 13.7562 20.2347 20.2347 20.7486 20.7486 k = 0.5000-0.4937-0.9322 ( 2674 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4847 -37.4847 -33.6615 -33.6615 -33.5159 -33.5159 -11.5793 -11.5793 -11.4263 -11.4263 -11.3478 -11.3478 -6.6941 -6.6941 -6.6554 -6.6554 5.5757 5.5757 5.7316 5.7316 6.2645 6.2645 7.1312 7.1312 7.2148 7.2148 7.8395 7.8395 10.3048 10.3048 11.2958 11.2958 11.4905 11.4905 13.6718 13.6718 13.7598 13.7598 20.2103 20.2103 20.7891 20.7891 k = 0.5000-0.4847-0.9470 ( 2674 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4848 -37.4848 -33.6616 -33.6616 -33.5160 -33.5160 -11.5790 -11.5790 -11.4267 -11.4267 -11.3478 -11.3478 -6.6905 -6.6905 -6.6580 -6.6580 5.5753 5.5753 5.7467 5.7467 6.2416 6.2416 7.1438 7.1438 7.2020 7.2020 7.8498 7.8498 10.2970 10.2970 11.3002 11.3002 11.4883 11.4883 13.6702 13.6702 13.7636 13.7636 20.1820 20.1820 20.8309 20.8309 k = 0.5000-0.4756-0.9619 ( 2680 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4849 -37.4849 -33.6617 -33.6617 -33.5161 -33.5161 -11.5789 -11.5789 -11.4270 -11.4270 -11.3478 -11.3478 -6.6883 -6.6883 -6.6595 -6.6595 5.5754 5.5754 5.7531 5.7531 6.2287 6.2287 7.1480 7.1480 7.1946 7.1946 7.8633 7.8633 10.2905 10.2905 11.3020 11.3020 11.4857 11.4857 13.6697 13.6697 13.7674 13.7674 20.1498 20.1498 20.8741 20.8741 k = 0.5000-0.4666-0.9767 ( 2672 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4848 -37.4848 -33.6617 -33.6617 -33.5161 -33.5161 -11.5788 -11.5788 -11.4270 -11.4270 -11.3478 -11.3478 -6.6876 -6.6876 -6.6600 -6.6600 5.5761 5.5761 5.7504 5.7504 6.2262 6.2262 7.1364 7.1364 7.2003 7.2003 7.8797 7.8797 10.2855 10.2855 11.3013 11.3013 11.4828 11.4828 13.6702 13.6702 13.7713 13.7713 20.1139 20.1139 20.9186 20.9186 k = 0.5000-0.4575-0.9915 ( 2668 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4848 -37.4848 -33.6616 -33.6616 -33.5161 -33.5161 -11.5787 -11.5787 -11.4268 -11.4268 -11.3478 -11.3478 -6.6883 -6.6883 -6.6596 -6.6596 5.5771 5.5771 5.7397 5.7397 6.2329 6.2329 7.1151 7.1151 7.2131 7.2131 7.8986 7.8986 10.2821 10.2821 11.2980 11.2980 11.4797 11.4797 13.6714 13.6714 13.7750 13.7750 20.0743 20.0743 20.9645 20.9645 k = 0.5000-0.4485-1.0063 ( 2664 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4847 -37.4847 -33.6615 -33.6615 -33.5160 -33.5160 -11.5788 -11.5788 -11.4265 -11.4265 -11.3478 -11.3478 -6.6900 -6.6900 -6.6587 -6.6587 5.5784 5.5784 5.7229 5.7229 6.2471 6.2471 7.0900 7.0900 7.2278 7.2278 7.9198 7.9198 10.2807 10.2807 11.2921 11.2921 11.4765 11.4765 13.6730 13.6730 13.7786 13.7786 20.0313 20.0313 21.0117 21.0117 k = 0.5000-0.4394-1.0211 ( 2664 PWs) bands (ev): -66.8625 -66.8625 -39.4481 -39.4481 -37.4846 -37.4846 -33.6614 -33.6614 -33.5159 -33.5159 -11.5789 -11.5789 -11.4260 -11.4260 -11.3477 -11.3477 -6.6922 -6.6922 -6.6579 -6.6579 5.5794 5.5794 5.7022 5.7022 6.2663 6.2663 7.0629 7.0629 7.2426 7.2426 7.9429 7.9429 10.2814 10.2814 11.2837 11.2837 11.4731 11.4731 13.6749 13.6749 13.7821 13.7821 19.9853 19.9853 21.0603 21.0603 k = 0.5000-0.4304-1.0359 ( 2658 PWs) bands (ev): -66.8625 -66.8625 -39.4481 -39.4481 -37.4845 -37.4845 -33.6612 -33.6612 -33.5158 -33.5158 -11.5790 -11.5790 -11.4253 -11.4253 -11.3477 -11.3477 -6.6946 -6.6946 -6.6574 -6.6574 5.5799 5.5799 5.6801 5.6801 6.2887 6.2887 7.0350 7.0350 7.2570 7.2570 7.9679 7.9679 10.2843 10.2843 11.2729 11.2729 11.4696 11.4696 13.6768 13.6768 13.7853 13.7853 19.9364 19.9364 21.1103 21.1103 k = 0.8134-0.3380-0.8558 ( 2658 PWs) bands (ev): -66.8625 -66.8625 -39.4481 -39.4481 -37.4845 -37.4845 -33.6612 -33.6612 -33.5158 -33.5158 -11.5790 -11.5790 -11.4253 -11.4253 -11.3477 -11.3477 -6.6946 -6.6946 -6.6574 -6.6574 5.5799 5.5799 5.6801 5.6801 6.2887 6.2887 7.0350 7.0350 7.2570 7.2570 7.9679 7.9679 10.2843 10.2843 11.2729 11.2729 11.4696 11.4696 13.6768 13.6768 13.7853 13.7853 19.9364 19.9364 21.1103 21.1103 k = 0.8085-0.3304-0.8411 ( 2662 PWs) bands (ev): -66.8625 -66.8625 -39.4482 -39.4482 -37.4844 -37.4844 -33.6609 -33.6609 -33.5156 -33.5156 -11.5792 -11.5792 -11.4246 -11.4246 -11.3477 -11.3477 -6.6971 -6.6971 -6.6573 -6.6573 5.5790 5.5790 5.6586 5.6586 6.3126 6.3126 7.0068 7.0068 7.2705 7.2705 7.9944 7.9944 10.2896 10.2896 11.2602 11.2602 11.4659 11.4659 13.6784 13.6784 13.7884 13.7884 19.8853 19.8853 21.1615 21.1615 k = 0.8036-0.3228-0.8263 ( 2662 PWs) bands (ev): -66.8626 -66.8626 -39.4483 -39.4483 -37.4842 -37.4842 -33.6606 -33.6606 -33.5154 -33.5154 -11.5794 -11.5794 -11.4237 -11.4237 -11.3477 -11.3477 -6.6996 -6.6996 -6.6580 -6.6580 5.5751 5.5751 5.6401 5.6401 6.3369 6.3369 6.9789 6.9789 7.2830 7.2830 8.0223 8.0223 10.2973 10.2973 11.2457 11.2457 11.4617 11.4617 13.6795 13.6795 13.7912 13.7912 19.8321 19.8321 21.2141 21.2141 k = 0.7987-0.3152-0.8115 ( 2668 PWs) bands (ev): -66.8627 -66.8627 -39.4484 -39.4484 -37.4839 -37.4839 -33.6602 -33.6602 -33.5152 -33.5152 -11.5796 -11.5796 -11.4227 -11.4227 -11.3477 -11.3477 -6.7019 -6.7019 -6.6593 -6.6593 5.5667 5.5667 5.6268 5.6268 6.3607 6.3607 6.9518 6.9518 7.2943 7.2943 8.0516 8.0516 10.3075 10.3075 11.2298 11.2298 11.4571 11.4571 13.6798 13.6798 13.7938 13.7938 19.7773 19.7773 21.2681 21.2681 k = 0.7939-0.3076-0.7967 ( 2668 PWs) bands (ev): -66.8627 -66.8627 -39.4485 -39.4485 -37.4837 -37.4837 -33.6597 -33.6597 -33.5150 -33.5150 -11.5798 -11.5798 -11.4216 -11.4216 -11.3477 -11.3477 -6.7041 -6.7041 -6.6614 -6.6614 5.5538 5.5538 5.6191 5.6191 6.3833 6.3833 6.9259 6.9259 7.3043 7.3043 8.0820 8.0820 10.3202 10.3202 11.2127 11.2127 11.4519 11.4519 13.6790 13.6790 13.7961 13.7961 19.7211 19.7211 21.3235 21.3235 k = 0.7890-0.3000-0.7819 ( 2676 PWs) bands (ev): -66.8628 -66.8628 -39.4486 -39.4486 -37.4834 -37.4834 -33.6591 -33.6591 -33.5147 -33.5147 -11.5799 -11.5799 -11.4203 -11.4203 -11.3477 -11.3477 -6.7062 -6.7062 -6.6644 -6.6644 5.5386 5.5386 5.6148 5.6148 6.4043 6.4043 6.9017 6.9017 7.3128 7.3128 8.1135 8.1135 10.3353 10.3353 11.1949 11.1949 11.4460 11.4460 13.6771 13.6771 13.7981 13.7981 19.6640 19.6640 21.3802 21.3802 k = 0.7841-0.2925-0.7672 ( 2684 PWs) bands (ev): -66.8629 -66.8629 -39.4488 -39.4488 -37.4830 -37.4830 -33.6584 -33.6584 -33.5144 -33.5144 -11.5800 -11.5800 -11.4191 -11.4191 -11.3478 -11.3478 -6.7081 -6.7081 -6.6681 -6.6681 5.5234 5.5234 5.6119 5.6119 6.4233 6.4233 6.8794 6.8794 7.3199 7.3199 8.1460 8.1460 10.3527 10.3527 11.1767 11.1767 11.4394 11.4394 13.6738 13.6738 13.7999 13.7999 19.6064 19.6064 21.4382 21.4382 k = 0.7792-0.2849-0.7524 ( 2680 PWs) bands (ev): -66.8630 -66.8630 -39.4489 -39.4489 -37.4826 -37.4826 -33.6576 -33.6576 -33.5141 -33.5141 -11.5799 -11.5799 -11.4177 -11.4177 -11.3478 -11.3478 -6.7099 -6.7099 -6.6726 -6.6726 5.5095 5.5095 5.6090 5.6090 6.4400 6.4400 6.8596 6.8596 7.3253 7.3253 8.1794 8.1794 10.3723 10.3723 11.1583 11.1583 11.4321 11.4321 13.6688 13.6688 13.8015 13.8015 19.5484 19.5484 21.4975 21.4975 k = 0.7743-0.2773-0.7376 ( 2680 PWs) bands (ev): -66.8632 -66.8632 -39.4491 -39.4491 -37.4822 -37.4822 -33.6568 -33.6568 -33.5138 -33.5138 -11.5798 -11.5798 -11.4162 -11.4162 -11.3478 -11.3478 -6.7116 -6.7116 -6.6778 -6.6778 5.4976 5.4976 5.6055 5.6055 6.4543 6.4543 6.8426 6.8426 7.3292 7.3292 8.2135 8.2135 10.3939 10.3939 11.1402 11.1402 11.4240 11.4240 13.6622 13.6622 13.8028 13.8028 19.4905 19.4905 21.5580 21.5580 k = 0.7694-0.2697-0.7228 ( 2678 PWs) bands (ev): -66.8633 -66.8633 -39.4493 -39.4493 -37.4817 -37.4817 -33.6558 -33.6558 -33.5134 -33.5134 -11.5796 -11.5796 -11.4148 -11.4148 -11.3478 -11.3478 -6.7135 -6.7135 -6.6836 -6.6836 5.4881 5.4881 5.6009 5.6009 6.4659 6.4659 6.8286 6.8286 7.3314 7.3314 8.2483 8.2483 10.4172 10.4172 11.1227 11.1227 11.4151 11.4151 13.6536 13.6536 13.8040 13.8040 19.4328 19.4328 21.6192 21.6192 k = 0.7645-0.2621-0.7081 ( 2678 PWs) bands (ev): -66.8635 -66.8635 -39.4495 -39.4495 -37.4811 -37.4811 -33.6547 -33.6547 -33.5131 -33.5131 -11.5792 -11.5792 -11.4133 -11.4133 -11.3477 -11.3477 -6.7159 -6.7159 -6.6895 -6.6895 5.4810 5.4810 5.5949 5.5949 6.4748 6.4748 6.8179 6.8179 7.3319 7.3319 8.2837 8.2837 10.4417 10.4417 11.1062 11.1062 11.4055 11.4055 13.6431 13.6431 13.8051 13.8051 19.3756 19.3756 21.6799 21.6799 k = 0.7596-0.2545-0.6933 ( 2674 PWs) bands (ev): -66.8636 -66.8636 -39.4497 -39.4497 -37.4805 -37.4805 -33.6535 -33.6535 -33.5127 -33.5127 -11.5787 -11.5787 -11.4118 -11.4118 -11.3477 -11.3477 -6.7195 -6.7195 -6.6950 -6.6950 5.4767 5.4767 5.5874 5.5874 6.4810 6.4810 6.8107 6.8107 7.3308 7.3308 8.3195 8.3195 10.4670 10.4670 11.0911 11.0911 11.3952 11.3952 13.6306 13.6306 13.8062 13.8062 19.3190 19.3190 21.7348 21.7348 k = 0.7547-0.2470-0.6785 ( 2672 PWs) bands (ev): -66.8638 -66.8638 -39.4499 -39.4499 -37.4799 -37.4799 -33.6522 -33.6522 -33.5123 -33.5123 -11.5781 -11.5781 -11.4103 -11.4103 -11.3476 -11.3476 -6.7250 -6.7250 -6.6991 -6.6991 5.4750 5.4750 5.5784 5.5784 6.4844 6.4844 6.8072 6.8072 7.3280 7.3280 8.3556 8.3556 10.4925 10.4925 11.0779 11.0779 11.3843 11.3843 13.6160 13.6160 13.8072 13.8072 19.2632 19.2632 21.7424 21.7424 k = 0.7498-0.2394-0.6637 ( 2680 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4792 -37.4792 -33.6508 -33.6508 -33.5119 -33.5119 -11.5775 -11.5775 -11.4089 -11.4089 -11.3475 -11.3475 -6.7330 -6.7330 -6.7014 -6.7014 5.4759 5.4759 5.5678 5.5678 6.4851 6.4851 6.8074 6.8074 7.3236 7.3236 8.3919 8.3919 10.5176 10.5176 11.0671 11.0671 11.3728 11.3728 13.5994 13.5994 13.8084 13.8084 19.2083 19.2083 21.6572 21.6572 k = 0.7449-0.2318-0.6489 ( 2676 PWs) bands (ev): -66.8642 -66.8642 -39.4504 -39.4504 -37.4785 -37.4785 -33.6493 -33.6493 -33.5115 -33.5115 -11.5766 -11.5766 -11.4074 -11.4074 -11.3474 -11.3474 -6.7430 -6.7430 -6.7024 -6.7024 5.4792 5.4792 5.5559 5.5559 6.4832 6.4832 6.8114 6.8114 7.3177 7.3177 8.4282 8.4282 10.5417 10.5417 11.0591 11.0591 11.3608 11.3608 13.5808 13.5808 13.8097 13.8097 19.1544 19.1544 21.5491 21.5491 k = 0.7400-0.2242-0.6342 ( 2678 PWs) bands (ev): -66.8644 -66.8644 -39.4507 -39.4507 -37.4777 -37.4777 -33.6477 -33.6477 -33.5112 -33.5112 -11.5757 -11.5757 -11.4061 -11.4061 -11.3472 -11.3472 -6.7546 -6.7546 -6.7023 -6.7023 5.4845 5.4845 5.5433 5.5433 6.4787 6.4787 6.8191 6.8191 7.3103 7.3103 8.4643 8.4643 10.5638 10.5638 11.0545 11.0545 11.3487 11.3487 13.5604 13.5604 13.8113 13.8113 19.1014 19.1014 21.4370 21.4370 k = 0.7351-0.2166-0.6194 ( 2676 PWs) bands (ev): -66.8646 -66.8646 -39.4510 -39.4510 -37.4769 -37.4769 -33.6459 -33.6459 -33.5108 -33.5108 -11.5745 -11.5745 -11.4047 -11.4047 -11.3470 -11.3470 -6.7674 -6.7674 -6.7016 -6.7016 5.4902 5.4902 5.5316 5.5316 6.4718 6.4718 6.8305 6.8305 7.3015 7.3015 8.5001 8.5001 10.5834 10.5834 11.0535 11.0535 11.3365 11.3365 13.5382 13.5382 13.8132 13.8132 19.0495 19.0495 21.3238 21.3238 k = 0.7302-0.2090-0.6046 ( 2678 PWs) bands (ev): -66.8648 -66.8648 -39.4513 -39.4513 -37.4761 -37.4761 -33.6441 -33.6441 -33.5104 -33.5104 -11.5733 -11.5733 -11.4035 -11.4035 -11.3467 -11.3467 -6.7814 -6.7814 -6.7004 -6.7004 5.4907 5.4907 5.5263 5.5263 6.4625 6.4625 6.8454 6.8454 7.2915 7.2915 8.5353 8.5353 10.5998 10.5998 11.0563 11.0563 11.3246 11.3246 13.5145 13.5145 13.8155 13.8155 18.9985 18.9985 21.2102 21.2102 k = 0.7253-0.2014-0.5898 ( 2678 PWs) bands (ev): -66.8651 -66.8651 -39.4516 -39.4516 -37.4752 -37.4752 -33.6422 -33.6422 -33.5100 -33.5100 -11.5720 -11.5720 -11.4023 -11.4023 -11.3463 -11.3463 -6.7963 -6.7963 -6.6987 -6.6987 5.4807 5.4807 5.5331 5.5331 6.4511 6.4511 6.8637 6.8637 7.2803 7.2803 8.5697 8.5697 10.6127 10.6127 11.0625 11.0625 11.3136 11.3136 13.4894 13.4894 13.8183 13.8183 18.9486 18.9486 21.0964 21.0964 k = 0.7204-0.1939-0.5750 ( 2678 PWs) bands (ev): -66.8653 -66.8653 -39.4520 -39.4520 -37.4742 -37.4742 -33.6401 -33.6401 -33.5097 -33.5097 -11.5705 -11.5705 -11.4012 -11.4012 -11.3458 -11.3458 -6.8122 -6.8122 -6.6967 -6.6967 5.4650 5.4650 5.5470 5.5470 6.4377 6.4377 6.8851 6.8851 7.2682 7.2682 8.6031 8.6031 10.6219 10.6219 11.0712 11.0712 11.3042 11.3042 13.4633 13.4633 13.8216 13.8216 18.8995 18.8995 20.9826 20.9826 k = 0.7155-0.1863-0.5603 ( 2672 PWs) bands (ev): -66.8656 -66.8656 -39.4523 -39.4523 -37.4733 -37.4733 -33.6380 -33.6380 -33.5093 -33.5093 -11.5689 -11.5689 -11.4002 -11.4002 -11.3452 -11.3452 -6.8289 -6.8289 -6.6943 -6.6943 5.4472 5.4472 5.5645 5.5645 6.4225 6.4225 6.9095 6.9095 7.2554 7.2554 8.6353 8.6353 10.6278 10.6278 11.0809 11.0809 11.2975 11.2975 13.4365 13.4365 13.8256 13.8256 18.8513 18.8513 20.8688 20.8688 k = 0.7106-0.1787-0.5455 ( 2672 PWs) bands (ev): -66.8659 -66.8659 -39.4527 -39.4527 -37.4723 -37.4723 -33.6357 -33.6357 -33.5089 -33.5089 -11.5672 -11.5672 -11.3993 -11.3993 -11.3446 -11.3446 -6.8463 -6.8463 -6.6916 -6.6916 5.4286 5.4286 5.5844 5.5844 6.4057 6.4057 6.9366 6.9366 7.2422 7.2422 8.6660 8.6660 10.6306 10.6306 11.0896 11.0896 11.2950 11.2950 13.4092 13.4092 13.8302 13.8302 18.8039 18.8039 20.7550 20.7550 k = 0.7057-0.1711-0.5307 ( 2678 PWs) bands (ev): -66.8661 -66.8661 -39.4531 -39.4531 -37.4713 -37.4713 -33.6334 -33.6334 -33.5086 -33.5086 -11.5655 -11.5655 -11.3985 -11.3985 -11.3439 -11.3439 -6.8645 -6.8645 -6.6887 -6.6887 5.4095 5.4095 5.6061 5.6061 6.3874 6.3874 6.9662 6.9662 7.2290 7.2290 8.6949 8.6949 10.6311 10.6311 11.0950 11.0950 11.2980 11.2980 13.3818 13.3818 13.8356 13.8356 18.7571 18.7571 20.6412 20.6412 k = 0.7008-0.1635-0.5159 ( 2684 PWs) bands (ev): -66.8664 -66.8664 -39.4535 -39.4535 -37.4702 -37.4702 -33.6310 -33.6310 -33.5082 -33.5082 -11.5638 -11.5638 -11.3977 -11.3977 -11.3430 -11.3430 -6.8833 -6.8833 -6.6854 -6.6854 5.3905 5.3905 5.6291 5.6291 6.3679 6.3679 6.9977 6.9977 7.2164 7.2164 8.7216 8.7216 10.6295 10.6295 11.0956 11.0956 11.3074 11.3074 13.3547 13.3547 13.8419 13.8419 18.7109 18.7109 20.5274 20.5274 k = 0.6959-0.1559-0.5011 ( 2686 PWs) bands (ev): -66.8667 -66.8667 -39.4539 -39.4539 -37.4691 -37.4691 -33.6285 -33.6285 -33.5079 -33.5079 -11.5619 -11.5619 -11.3970 -11.3970 -11.3421 -11.3421 -6.9028 -6.9028 -6.6820 -6.6820 5.3718 5.3718 5.6530 5.6530 6.3473 6.3473 7.0307 7.0307 7.2051 7.2051 8.7461 8.7461 10.6265 10.6265 11.0910 11.0910 11.3230 11.3230 13.3283 13.3283 13.8490 13.8490 18.6652 18.6652 20.4137 20.4137 k = 0.6910-0.1484-0.4864 ( 2684 PWs) bands (ev): -66.8670 -66.8670 -39.4543 -39.4543 -37.4680 -37.4680 -33.6259 -33.6259 -33.5076 -33.5076 -11.5600 -11.5600 -11.3963 -11.3963 -11.3411 -11.3411 -6.9228 -6.9228 -6.6783 -6.6783 5.3535 5.3535 5.6774 5.6774 6.3258 6.3258 7.0640 7.0640 7.1967 7.1967 8.7679 8.7679 10.6225 10.6225 11.0817 11.0817 11.3435 11.3435 13.3030 13.3030 13.8571 13.8571 18.6199 18.6199 20.3002 20.3002 k = 0.6861-0.1408-0.4716 ( 2688 PWs) bands (ev): -66.8674 -66.8674 -39.4547 -39.4547 -37.4669 -37.4669 -33.6233 -33.6233 -33.5073 -33.5073 -11.5581 -11.5581 -11.3957 -11.3957 -11.3400 -11.3400 -6.9433 -6.9433 -6.6743 -6.6743 5.3360 5.3360 5.7016 5.7016 6.3037 6.3037 7.0947 7.0947 7.1941 7.1941 8.7868 8.7868 10.6176 10.6176 11.0689 11.0689 11.3672 11.3672 13.2792 13.2792 13.8661 13.8661 18.5749 18.5749 20.1867 20.1867 k = 0.6812-0.1332-0.4568 ( 2692 PWs) bands (ev): -66.8677 -66.8677 -39.4551 -39.4551 -37.4657 -37.4657 -33.6206 -33.6206 -33.5070 -33.5070 -11.5563 -11.5563 -11.3951 -11.3951 -11.3388 -11.3388 -6.9643 -6.9643 -6.6702 -6.6702 5.3192 5.3192 5.7253 5.7253 6.2812 6.2812 7.1173 7.1173 7.2036 7.2036 8.8025 8.8025 10.6122 10.6122 11.0533 11.0533 11.3928 11.3928 13.2574 13.2574 13.8760 13.8760 18.5300 18.5300 20.0734 20.0734 k = 0.6763-0.1256-0.4420 ( 2690 PWs) bands (ev): -66.8680 -66.8680 -39.4555 -39.4555 -37.4645 -37.4645 -33.6178 -33.6178 -33.5067 -33.5067 -11.5544 -11.5544 -11.3944 -11.3944 -11.3375 -11.3375 -6.9856 -6.9856 -6.6659 -6.6659 5.3035 5.3035 5.7476 5.7476 6.2584 6.2584 7.1281 7.1281 7.2292 7.2292 8.8148 8.8148 10.6063 10.6063 11.0358 11.0358 11.4193 11.4193 13.2380 13.2380 13.8870 13.8870 18.4851 18.4851 19.9604 19.9604 k = 0.6714-0.1180-0.4272 ( 2686 PWs) bands (ev): -66.8683 -66.8683 -39.4560 -39.4560 -37.4633 -37.4633 -33.6149 -33.6149 -33.5064 -33.5064 -11.5525 -11.5525 -11.3937 -11.3937 -11.3361 -11.3361 -7.0072 -7.0072 -6.6615 -6.6615 5.2888 5.2888 5.7682 5.7682 6.2354 6.2354 7.1325 7.1325 7.2660 7.2660 8.8235 8.8235 10.6001 10.6001 11.0167 11.0167 11.4459 11.4459 13.2214 13.2214 13.8990 13.8990 18.4403 18.4403 19.8477 19.8477 k = 0.6665-0.1104-0.4125 ( 2688 PWs) bands (ev): -66.8686 -66.8686 -39.4564 -39.4564 -37.4621 -37.4621 -33.6120 -33.6120 -33.5061 -33.5061 -11.5508 -11.5508 -11.3930 -11.3930 -11.3346 -11.3346 -7.0291 -7.0291 -6.6569 -6.6569 5.2755 5.2755 5.7861 5.7861 6.2125 6.2125 7.1366 7.1366 7.3085 7.3085 8.8283 8.8283 10.5936 10.5936 10.9963 10.9963 11.4720 11.4720 13.2079 13.2079 13.9119 13.9119 18.3953 18.3953 19.7354 19.7354 k = 0.6616-0.1029-0.3977 ( 2686 PWs) bands (ev): -66.8690 -66.8690 -39.4569 -39.4569 -37.4609 -37.4609 -33.6091 -33.6091 -33.5059 -33.5059 -11.5491 -11.5491 -11.3923 -11.3923 -11.3331 -11.3331 -7.0512 -7.0512 -6.6522 -6.6522 5.2634 5.2634 5.8010 5.8010 6.1897 6.1897 7.1433 7.1433 7.3542 7.3542 8.8292 8.8292 10.5868 10.5868 10.9747 10.9747 11.4972 11.4972 13.1981 13.1981 13.9257 13.9257 18.3501 18.3501 19.6237 19.6237 k = 0.6567-0.0953-0.3829 ( 2686 PWs) bands (ev): -66.8693 -66.8693 -39.4573 -39.4573 -37.4596 -37.4596 -33.6061 -33.6061 -33.5056 -33.5056 -11.5476 -11.5476 -11.3915 -11.3915 -11.3315 -11.3315 -7.0735 -7.0735 -6.6474 -6.6474 5.2528 5.2528 5.8124 5.8124 6.1671 6.1671 7.1543 7.1543 7.4020 7.4020 8.8259 8.8259 10.5797 10.5797 10.9520 10.9520 11.5212 11.5212 13.1921 13.1921 13.9404 13.9404 18.3046 18.3046 19.5125 19.5125 k = 0.6518-0.0877-0.3681 ( 2690 PWs) bands (ev): -66.8697 -66.8697 -39.4578 -39.4578 -37.4584 -37.4584 -33.6031 -33.6031 -33.5054 -33.5054 -11.5462 -11.5462 -11.3906 -11.3906 -11.3299 -11.3299 -7.0958 -7.0958 -6.6425 -6.6425 5.2436 5.2436 5.8198 5.8198 6.1446 6.1446 7.1704 7.1704 7.4515 7.4515 8.8186 8.8186 10.5723 10.5723 10.9283 10.9283 11.5437 11.5437 13.1904 13.1904 13.9559 13.9559 18.2588 18.2588 19.4020 19.4020 k = 0.6469-0.0801-0.3533 ( 2686 PWs) bands (ev): -66.8700 -66.8700 -39.4582 -39.4582 -37.4572 -37.4572 -33.6001 -33.6001 -33.5052 -33.5052 -11.5449 -11.5449 -11.3896 -11.3896 -11.3282 -11.3282 -7.1181 -7.1181 -6.6375 -6.6375 5.2360 5.2360 5.8231 5.8231 6.1223 6.1223 7.1921 7.1921 7.5024 7.5024 8.8071 8.8071 10.5645 10.5645 10.9035 10.9035 11.5646 11.5646 13.1930 13.1930 13.9721 13.9721 18.2126 18.2126 19.2925 19.2925 k = 0.6420-0.0725-0.3386 ( 2688 PWs) bands (ev): -66.8703 -66.8703 -39.4587 -39.4587 -37.4559 -37.4559 -33.5971 -33.5971 -33.5050 -33.5050 -11.5438 -11.5438 -11.3885 -11.3885 -11.3265 -11.3265 -7.1404 -7.1404 -6.6325 -6.6325 5.2300 5.2300 5.8224 5.8224 6.1000 6.1000 7.2198 7.2198 7.5544 7.5544 8.7916 8.7916 10.5562 10.5562 10.8777 10.8777 11.5837 11.5837 13.2003 13.2003 13.9890 13.9890 18.1659 18.1659 19.1839 19.1839 k = 0.6371-0.0649-0.3238 ( 2686 PWs) bands (ev): -66.8707 -66.8707 -39.4591 -39.4591 -37.4547 -37.4547 -33.5940 -33.5940 -33.5048 -33.5048 -11.5428 -11.5428 -11.3873 -11.3873 -11.3246 -11.3246 -7.1625 -7.1625 -6.6275 -6.6275 5.2257 5.2257 5.8180 5.8180 6.0775 6.0775 7.2536 7.2536 7.6072 7.6072 8.7722 8.7722 10.5475 10.5475 10.8508 10.8508 11.6010 11.6010 13.2122 13.2122 14.0064 14.0064 18.1187 18.1187 19.0766 19.0766 k = 0.6322-0.0574-0.3090 ( 2690 PWs) bands (ev): -66.8710 -66.8710 -39.4596 -39.4596 -37.4535 -37.4535 -33.5910 -33.5910 -33.5046 -33.5046 -11.5420 -11.5420 -11.3861 -11.3861 -11.3228 -11.3228 -7.1845 -7.1845 -6.6224 -6.6224 5.2230 5.2230 5.8102 5.8102 6.0545 6.0545 7.2933 7.2933 7.6608 7.6608 8.7491 8.7491 10.5381 10.5381 10.8228 10.8228 11.6164 11.6164 13.2290 13.2290 14.0243 14.0243 18.0709 18.0709 18.9705 18.9705 k = 0.6273-0.0498-0.2942 ( 2694 PWs) bands (ev): -66.8713 -66.8713 -39.4600 -39.4600 -37.4523 -37.4523 -33.5881 -33.5881 -33.5044 -33.5044 -11.5415 -11.5415 -11.3847 -11.3847 -11.3210 -11.3210 -7.2063 -7.2063 -6.6174 -6.6174 5.2219 5.2219 5.7996 5.7996 6.0311 6.0311 7.3387 7.3387 7.7149 7.7149 8.7224 8.7224 10.5280 10.5280 10.7936 10.7936 11.6299 11.6299 13.2504 13.2504 14.0425 14.0425 18.0225 18.0225 18.8660 18.8660 k = 0.6224-0.0422-0.2794 ( 2696 PWs) bands (ev): -66.8717 -66.8717 -39.4605 -39.4605 -37.4511 -37.4511 -33.5851 -33.5851 -33.5042 -33.5042 -11.5410 -11.5410 -11.3833 -11.3833 -11.3191 -11.3191 -7.2278 -7.2278 -6.6124 -6.6124 5.2225 5.2225 5.7868 5.7868 6.0071 6.0071 7.3894 7.3894 7.7694 7.7694 8.6927 8.6927 10.5172 10.5172 10.7633 10.7633 11.6415 11.6415 13.2765 13.2765 14.0609 14.0609 17.9736 17.9736 18.7632 18.7632 k = 0.6175-0.0346-0.2647 ( 2698 PWs) bands (ev): -66.8720 -66.8720 -39.4609 -39.4609 -37.4499 -37.4499 -33.5822 -33.5822 -33.5040 -33.5040 -11.5407 -11.5407 -11.3818 -11.3818 -11.3171 -11.3171 -7.2489 -7.2489 -6.6074 -6.6074 5.2248 5.2248 5.7721 5.7721 5.9825 5.9825 7.4450 7.4450 7.8240 7.8240 8.6601 8.6601 10.5055 10.5055 10.7319 10.7319 11.6511 11.6511 13.3071 13.3071 14.0794 14.0794 17.9241 17.9241 18.6624 18.6624 k = 0.6126-0.0270-0.2499 ( 2694 PWs) bands (ev): -66.8723 -66.8723 -39.4613 -39.4613 -37.4488 -37.4488 -33.5793 -33.5793 -33.5039 -33.5039 -11.5406 -11.5406 -11.3801 -11.3801 -11.3151 -11.3151 -7.2697 -7.2697 -6.6026 -6.6026 5.2287 5.2287 5.7562 5.7562 5.9573 5.9573 7.5050 7.5050 7.8784 7.8784 8.6254 8.6254 10.4929 10.4929 10.6995 10.6995 11.6590 11.6590 13.3420 13.3420 14.0979 14.0979 17.8740 17.8740 18.5636 18.5636 k = 0.6077-0.0194-0.2351 ( 2690 PWs) bands (ev): -66.8726 -66.8726 -39.4617 -39.4617 -37.4476 -37.4476 -33.5764 -33.5764 -33.5037 -33.5037 -11.5406 -11.5406 -11.3785 -11.3785 -11.3131 -11.3131 -7.2900 -7.2900 -6.5977 -6.5977 5.2341 5.2341 5.7394 5.7394 5.9318 5.9318 7.5690 7.5690 7.9321 7.9321 8.5889 8.5889 10.4792 10.4792 10.6660 10.6660 11.6650 11.6650 13.3809 13.3809 14.1163 14.1163 17.8233 17.8233 18.4671 18.4671 k = 0.6028-0.0119-0.2203 ( 2684 PWs) bands (ev): -66.8729 -66.8729 -39.4621 -39.4621 -37.4465 -37.4465 -33.5736 -33.5736 -33.5035 -33.5035 -11.5407 -11.5407 -11.3768 -11.3768 -11.3110 -11.3110 -7.3097 -7.3097 -6.5930 -6.5930 5.2411 5.2411 5.7221 5.7221 5.9059 5.9059 7.6363 7.6363 7.9847 7.9847 8.5516 8.5516 10.4645 10.4645 10.6316 10.6316 11.6693 11.6693 13.4236 13.4236 14.1345 14.1345 17.7721 17.7721 18.3732 18.3732 k = 0.5980-0.0043-0.2055 ( 2684 PWs) bands (ev): -66.8732 -66.8732 -39.4625 -39.4625 -37.4454 -37.4454 -33.5709 -33.5709 -33.5033 -33.5033 -11.5410 -11.5410 -11.3751 -11.3751 -11.3090 -11.3090 -7.3289 -7.3289 -6.5884 -6.5884 5.2495 5.2495 5.7045 5.7045 5.8800 5.8800 7.7066 7.7066 8.0350 8.0350 8.5148 8.5148 10.4486 10.4486 10.5962 10.5962 11.6719 11.6719 13.4696 13.4696 14.1524 14.1524 17.7204 17.7204 18.2819 18.2819 k = 0.5931 0.0033-0.1908 ( 2684 PWs) bands (ev): -66.8735 -66.8735 -39.4629 -39.4629 -37.4444 -37.4444 -33.5683 -33.5683 -33.5032 -33.5032 -11.5414 -11.5414 -11.3734 -11.3734 -11.3069 -11.3069 -7.3475 -7.3475 -6.5840 -6.5840 5.2592 5.2592 5.6868 5.6868 5.8541 5.8541 7.7793 7.7793 8.0814 8.0814 8.4804 8.4804 10.4313 10.4313 10.5601 10.5601 11.6729 11.6729 13.5186 13.5186 14.1699 14.1699 17.6683 17.6683 18.1936 18.1936 k = 0.5882 0.0109-0.1760 ( 2684 PWs) bands (ev): -66.8738 -66.8738 -39.4633 -39.4633 -37.4433 -37.4433 -33.5658 -33.5658 -33.5030 -33.5030 -11.5419 -11.5419 -11.3717 -11.3717 -11.3048 -11.3048 -7.3655 -7.3655 -6.5796 -6.5796 5.2703 5.2703 5.6693 5.6693 5.8285 5.8285 7.8539 7.8539 8.1208 8.1208 8.4517 8.4517 10.4128 10.4128 10.5233 10.5233 11.6725 11.6725 13.5701 13.5701 14.1868 14.1868 17.6160 17.6160 18.1085 18.1085 k = 0.5833 0.0185-0.1612 ( 2686 PWs) bands (ev): -66.8740 -66.8740 -39.4636 -39.4636 -37.4424 -37.4424 -33.5633 -33.5633 -33.5028 -33.5028 -11.5425 -11.5425 -11.3701 -11.3701 -11.3028 -11.3028 -7.3827 -7.3827 -6.5755 -6.5755 5.2824 5.2824 5.6522 5.6522 5.8034 5.8034 7.9299 7.9299 8.1481 8.1481 8.4342 8.4342 10.3928 10.3928 10.4860 10.4860 11.6708 11.6708 13.6238 13.6238 14.2032 14.2032 17.5634 17.5634 18.0267 18.0267 k = 0.5784 0.0261-0.1464 ( 2686 PWs) bands (ev): -66.8743 -66.8743 -39.4640 -39.4640 -37.4414 -37.4414 -33.5610 -33.5610 -33.5027 -33.5027 -11.5431 -11.5431 -11.3685 -11.3685 -11.3007 -11.3007 -7.3992 -7.3992 -6.5715 -6.5715 5.2955 5.2955 5.6355 5.6355 5.7789 5.7789 8.0064 8.0064 8.1579 8.1579 8.4340 8.4340 10.3714 10.3714 10.4483 10.4483 11.6679 11.6679 13.6792 13.6792 14.2189 14.2189 17.5109 17.5109 17.9484 17.9484 k = 0.5735 0.0337-0.1316 ( 2680 PWs) bands (ev): -66.8745 -66.8745 -39.4643 -39.4643 -37.4405 -37.4405 -33.5588 -33.5588 -33.5025 -33.5025 -11.5438 -11.5438 -11.3670 -11.3670 -11.2986 -11.2986 -7.4149 -7.4149 -6.5676 -6.5676 5.3095 5.3095 5.6194 5.6194 5.7552 5.7552 8.0803 8.0803 8.1517 8.1517 8.4526 8.4526 10.3484 10.3484 10.4103 10.4103 11.6639 11.6639 13.7357 13.7357 14.2340 14.2340 17.4585 17.4585 17.8739 17.8739 k = 0.5686 0.0412-0.1169 ( 2682 PWs) bands (ev): -66.8748 -66.8748 -39.4646 -39.4646 -37.4397 -37.4397 -33.5567 -33.5567 -33.5024 -33.5024 -11.5445 -11.5445 -11.3655 -11.3655 -11.2967 -11.2967 -7.4298 -7.4298 -6.5640 -6.5640 5.3241 5.3241 5.6040 5.6040 5.7325 5.7325 8.1101 8.1101 8.1752 8.1752 8.4852 8.4852 10.3238 10.3238 10.3722 10.3722 11.6591 11.6591 13.7929 13.7929 14.2483 14.2483 17.4065 17.4065 17.8033 17.8033 k = 0.5637 0.0488-0.1021 ( 2678 PWs) bands (ev): -66.8750 -66.8750 -39.4649 -39.4649 -37.4389 -37.4389 -33.5547 -33.5547 -33.5022 -33.5022 -11.5452 -11.5452 -11.3641 -11.3641 -11.2947 -11.2947 -7.4439 -7.4439 -6.5606 -6.5606 5.3392 5.3392 5.5895 5.5895 5.7110 5.7110 8.0826 8.0826 8.2479 8.2479 8.5258 8.5258 10.2976 10.2976 10.3344 10.3344 11.6535 11.6535 13.8501 13.8501 14.2618 14.2618 17.3551 17.3551 17.7368 17.7368 k = 0.5588 0.0564-0.0873 ( 2682 PWs) bands (ev): -66.8752 -66.8752 -39.4652 -39.4652 -37.4382 -37.4382 -33.5528 -33.5528 -33.5021 -33.5021 -11.5460 -11.5460 -11.3629 -11.3629 -11.2929 -11.2929 -7.4570 -7.4570 -6.5574 -6.5574 5.3545 5.3545 5.5758 5.5758 5.6906 5.6906 8.0468 8.0468 8.3244 8.3244 8.5701 8.5701 10.2697 10.2697 10.2971 10.2971 11.6473 11.6473 13.9068 13.9068 14.2746 14.2746 17.3047 17.3047 17.6746 17.6746 k = 0.5539 0.0640-0.0725 ( 2678 PWs) bands (ev): -66.8754 -66.8754 -39.4654 -39.4654 -37.4374 -37.4374 -33.5511 -33.5511 -33.5019 -33.5019 -11.5467 -11.5467 -11.3617 -11.3617 -11.2911 -11.2911 -7.4692 -7.4692 -6.5544 -6.5544 5.3697 5.3697 5.5631 5.5631 5.6717 5.6717 8.0090 8.0090 8.4003 8.4003 8.6160 8.6160 10.2400 10.2400 10.2609 10.2609 11.6408 11.6408 13.9624 13.9624 14.2866 14.2866 17.2556 17.2556 17.6169 17.6169 k = 0.5490 0.0716-0.0578 ( 2676 PWs) bands (ev): -66.8755 -66.8755 -39.4656 -39.4656 -37.4368 -37.4368 -33.5495 -33.5495 -33.5017 -33.5017 -11.5475 -11.5475 -11.3606 -11.3606 -11.2894 -11.2894 -7.4804 -7.4804 -6.5516 -6.5516 5.3846 5.3846 5.5515 5.5515 5.6542 5.6542 7.9711 7.9711 8.4747 8.4747 8.6619 8.6619 10.2085 10.2085 10.2261 10.2261 11.6341 11.6341 14.0161 14.0161 14.2979 14.2979 17.2082 17.2082 17.5637 17.5637 k = 0.5441 0.0792-0.0430 ( 2676 PWs) bands (ev): -66.8757 -66.8757 -39.4659 -39.4659 -37.4362 -37.4362 -33.5481 -33.5481 -33.5016 -33.5016 -11.5482 -11.5482 -11.3596 -11.3596 -11.2878 -11.2878 -7.4906 -7.4906 -6.5491 -6.5491 5.3989 5.3989 5.5410 5.5410 5.6383 5.6383 7.9344 7.9344 8.5468 8.5468 8.7070 8.7070 10.1756 10.1756 10.1929 10.1929 11.6274 11.6274 14.0672 14.0672 14.3086 14.3086 17.1629 17.1629 17.5152 17.5152 k = 0.5392 0.0867-0.0282 ( 2672 PWs) bands (ev): -66.8758 -66.8758 -39.4660 -39.4660 -37.4357 -37.4357 -33.5468 -33.5468 -33.5015 -33.5015 -11.5488 -11.5488 -11.3587 -11.3587 -11.2863 -11.2863 -7.4999 -7.4999 -6.5469 -6.5469 5.4121 5.4121 5.5319 5.5319 5.6240 5.6240 7.8997 7.8997 8.6157 8.6157 8.7504 8.7504 10.1427 10.1427 10.1609 10.1609 11.6208 11.6208 14.1150 14.1150 14.3187 14.3187 17.1202 17.1202 17.4715 17.4715 k = 0.5343 0.0943-0.0134 ( 2672 PWs) bands (ev): -66.8760 -66.8760 -39.4662 -39.4662 -37.4352 -37.4352 -33.5457 -33.5457 -33.5013 -33.5013 -11.5494 -11.5494 -11.3579 -11.3579 -11.2850 -11.2850 -7.5081 -7.5081 -6.5448 -6.5448 5.4240 5.4240 5.5243 5.5243 5.6114 5.6114 7.8676 7.8676 8.6803 8.6803 8.7916 8.7916 10.1105 10.1105 10.1299 10.1299 11.6146 11.6146 14.1584 14.1584 14.3286 14.3286 17.0807 17.0807 17.4327 17.4327 k = 0.5294 0.1019 0.0014 ( 2672 PWs) bands (ev): -66.8761 -66.8761 -39.4664 -39.4664 -37.4348 -37.4348 -33.5447 -33.5447 -33.5012 -33.5012 -11.5499 -11.5499 -11.3572 -11.3572 -11.2838 -11.2838 -7.5152 -7.5152 -6.5431 -6.5431 5.4341 5.4341 5.5183 5.5183 5.6006 5.6006 7.8387 7.8387 8.7397 8.7397 8.8301 8.8301 10.0801 10.0801 10.1003 10.1003 11.6088 11.6088 14.1967 14.1967 14.3384 14.3384 17.0449 17.0449 17.3989 17.3989 k = 0.5245 0.1095 0.0161 ( 2668 PWs) bands (ev): -66.8762 -66.8762 -39.4665 -39.4665 -37.4344 -37.4344 -33.5438 -33.5438 -33.5011 -33.5011 -11.5503 -11.5503 -11.3566 -11.3566 -11.2828 -11.2828 -7.5213 -7.5213 -6.5416 -6.5416 5.4420 5.4420 5.5141 5.5141 5.5915 5.5915 7.8135 7.8135 8.7925 8.7925 8.8655 8.8655 10.0522 10.0522 10.0730 10.0730 11.6037 11.6037 14.2287 14.2287 14.3484 14.3484 17.0134 17.0134 17.3702 17.3702 k = 0.5196 0.1171 0.0309 ( 2674 PWs) bands (ev): -66.8763 -66.8763 -39.4666 -39.4666 -37.4342 -37.4342 -33.5432 -33.5432 -33.5010 -33.5010 -11.5507 -11.5507 -11.3562 -11.3562 -11.2820 -11.2820 -7.5263 -7.5263 -6.5404 -6.5404 5.4477 5.4477 5.5116 5.5116 5.5843 5.5843 7.7923 7.7923 8.8369 8.8369 8.8973 8.8973 10.0272 10.0272 10.0488 10.0488 11.5993 11.5993 14.2539 14.2539 14.3587 14.3587 16.9866 16.9866 17.3467 17.3467 k = 0.5147 0.1247 0.0457 ( 2674 PWs) bands (ev): -66.8763 -66.8763 -39.4667 -39.4667 -37.4340 -37.4340 -33.5426 -33.5426 -33.5010 -33.5010 -11.5510 -11.5510 -11.3558 -11.3558 -11.2814 -11.2814 -7.5302 -7.5302 -6.5394 -6.5394 5.4513 5.4513 5.5105 5.5105 5.5788 5.5788 7.7754 7.7754 8.8717 8.8717 8.9249 8.9249 10.0062 10.0062 10.0288 10.0288 11.5958 11.5958 14.2721 14.2721 14.3688 14.3688 16.9652 16.9652 17.3283 17.3283 k = 0.5098 0.1322 0.0605 ( 2674 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4338 -37.4338 -33.5422 -33.5422 -33.5009 -33.5009 -11.5513 -11.5513 -11.3555 -11.3555 -11.2809 -11.2809 -7.5330 -7.5330 -6.5387 -6.5387 5.4533 5.4533 5.5103 5.5103 5.5750 5.5750 7.7632 7.7632 8.8962 8.8962 8.9469 8.9469 9.9901 9.9901 10.0139 10.0139 11.5933 11.5933 14.2840 14.2840 14.3774 14.3774 16.9496 16.9496 17.3152 17.3152 k = 0.5049 0.1398 0.0753 ( 2674 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5420 -33.5420 -33.5009 -33.5009 -11.5514 -11.5514 -11.3554 -11.3554 -11.2806 -11.2806 -7.5347 -7.5347 -6.5383 -6.5383 5.4542 5.4542 5.5104 5.5104 5.5728 5.5728 7.7558 7.7558 8.9106 8.9106 8.9612 8.9612 9.9799 9.9799 10.0047 10.0047 11.5917 11.5917 14.2906 14.2906 14.3833 14.3833 16.9400 16.9400 17.3073 17.3073 k = 0.5000 0.1474 0.0900 ( 2678 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5420 -33.5420 -33.5009 -33.5009 -11.5515 -11.5515 -11.3554 -11.3554 -11.2805 -11.2805 -7.5352 -7.5352 -6.5382 -6.5382 5.4544 5.4544 5.5105 5.5105 5.5721 5.5721 7.7533 7.7533 8.9153 8.9153 8.9662 8.9662 9.9764 9.9764 10.0016 10.0016 11.5912 11.5912 14.2927 14.2927 14.3854 14.3854 16.9368 16.9368 17.3046 17.3046 k = 0.5000 0.1474 0.0900 ( 2678 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5420 -33.5420 -33.5009 -33.5009 -11.5515 -11.5515 -11.3554 -11.3554 -11.2805 -11.2805 -7.5352 -7.5352 -6.5382 -6.5382 5.4544 5.4544 5.5105 5.5105 5.5721 5.5721 7.7533 7.7533 8.9153 8.9153 8.9662 8.9662 9.9764 9.9764 10.0016 10.0016 11.5912 11.5912 14.2927 14.2927 14.3854 14.3854 16.9368 16.9368 17.3046 17.3046 k = 0.4839 0.1427 0.0871 ( 2678 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5420 -33.5420 -33.5009 -33.5009 -11.5514 -11.5514 -11.3553 -11.3553 -11.2805 -11.2805 -7.5359 -7.5359 -6.5375 -6.5375 5.4544 5.4544 5.5101 5.5101 5.5700 5.5700 7.7569 7.7569 8.9155 8.9155 8.9664 8.9664 9.9764 9.9764 10.0015 10.0015 11.5912 11.5912 14.2926 14.2926 14.3853 14.3853 16.9098 16.9098 17.3306 17.3306 k = 0.4677 0.1379 0.0842 ( 2678 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5419 -33.5419 -33.5009 -33.5009 -11.5513 -11.5513 -11.3553 -11.3553 -11.2805 -11.2805 -7.5380 -7.5380 -6.5353 -6.5353 5.4542 5.4542 5.5087 5.5087 5.5638 5.5638 7.7678 7.7678 8.9161 8.9161 8.9670 8.9670 9.9763 9.9763 10.0015 10.0015 11.5913 11.5913 14.2921 14.2921 14.3848 14.3848 16.8438 16.8438 17.3935 17.3935 k = 0.4516 0.1331 0.0813 ( 2678 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5419 -33.5419 -33.5009 -33.5009 -11.5511 -11.5511 -11.3552 -11.3552 -11.2805 -11.2805 -7.5413 -7.5413 -6.5318 -6.5318 5.4538 5.4538 5.5058 5.5058 5.5543 5.5543 7.7857 7.7857 8.9170 8.9170 8.9680 8.9680 9.9762 9.9762 10.0013 10.0013 11.5915 11.5915 14.2913 14.2913 14.3840 14.3840 16.7593 16.7593 17.4728 17.4728 k = 0.4355 0.1284 0.0784 ( 2678 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5419 -33.5419 -33.5009 -33.5009 -11.5507 -11.5507 -11.3551 -11.3551 -11.2805 -11.2805 -7.5460 -7.5460 -6.5270 -6.5270 5.4533 5.4533 5.5000 5.5000 5.5433 5.5433 7.8102 7.8102 8.9184 8.9184 8.9693 8.9693 9.9761 9.9761 10.0011 10.0011 11.5918 11.5918 14.2902 14.2902 14.3828 14.3828 16.6663 16.6663 17.5583 17.5583 k = 0.4194 0.1236 0.0755 ( 2678 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5419 -33.5419 -33.5009 -33.5009 -11.5503 -11.5503 -11.3549 -11.3549 -11.2805 -11.2805 -7.5518 -7.5518 -6.5209 -6.5209 5.4527 5.4527 5.4891 5.4891 5.5333 5.5333 7.8409 7.8409 8.9201 8.9201 8.9711 8.9711 9.9759 9.9759 10.0009 10.0009 11.5922 11.5922 14.2888 14.2888 14.3814 14.3814 16.5693 16.5693 17.6459 17.6459 k = 0.4032 0.1189 0.0726 ( 2678 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5419 -33.5419 -33.5009 -33.5009 -11.5498 -11.5498 -11.3548 -11.3548 -11.2805 -11.2805 -7.5588 -7.5588 -6.5137 -6.5137 5.4520 5.4520 5.4713 5.4713 5.5265 5.5265 7.8773 7.8773 8.9221 8.9221 8.9731 8.9731 9.9756 9.9756 10.0006 10.0006 11.5926 11.5926 14.2871 14.2871 14.3797 14.3797 16.4703 16.4703 17.7332 17.7332 k = 0.3871 0.1141 0.0697 ( 2678 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5419 -33.5419 -33.5009 -33.5009 -11.5492 -11.5492 -11.3546 -11.3546 -11.2805 -11.2805 -7.5666 -7.5666 -6.5055 -6.5055 5.4479 5.4479 5.4511 5.4511 5.5223 5.5223 7.9188 7.9188 8.9245 8.9245 8.9755 8.9755 9.9753 9.9753 10.0003 10.0003 11.5930 11.5930 14.2852 14.2852 14.3777 14.3777 16.3705 16.3705 17.8193 17.8193 k = 0.3710 0.1094 0.0668 ( 2672 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5419 -33.5419 -33.5009 -33.5009 -11.5485 -11.5485 -11.3543 -11.3543 -11.2805 -11.2805 -7.5754 -7.5754 -6.4963 -6.4963 5.4205 5.4205 5.4502 5.4502 5.5195 5.5195 7.9649 7.9649 8.9272 8.9272 8.9782 8.9782 9.9750 9.9750 9.9999 9.9999 11.5934 11.5934 14.2830 14.2830 14.3755 14.3755 16.2706 16.2706 17.9033 17.9033 k = 0.3548 0.1046 0.0639 ( 2672 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5419 -33.5419 -33.5009 -33.5009 -11.5478 -11.5478 -11.3540 -11.3540 -11.2804 -11.2804 -7.5849 -7.5849 -6.4864 -6.4864 5.3905 5.3905 5.4492 5.4492 5.5173 5.5173 8.0147 8.0147 8.9302 8.9302 8.9812 8.9812 9.9747 9.9747 9.9995 9.9995 11.5938 11.5938 14.2806 14.2806 14.3730 14.3730 16.1711 16.1711 17.9846 17.9846 k = 0.3387 0.0999 0.0610 ( 2687 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4338 -37.4338 -33.5419 -33.5419 -33.5010 -33.5010 -11.5472 -11.5472 -11.3538 -11.3538 -11.2805 -11.2805 -7.5950 -7.5950 -6.4759 -6.4759 5.3586 5.3586 5.4480 5.4480 5.5154 5.5154 8.0678 8.0678 8.9334 8.9334 8.9844 8.9844 9.9743 9.9743 9.9991 9.9991 11.5940 11.5940 14.2780 14.2780 14.3703 14.3703 16.0726 16.0726 18.0629 18.0629 k = 0.3226 0.0951 0.0581 ( 2687 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4338 -37.4338 -33.5419 -33.5419 -33.5010 -33.5010 -11.5464 -11.5464 -11.3535 -11.3535 -11.2805 -11.2805 -7.6055 -7.6055 -6.4649 -6.4649 5.3255 5.3255 5.4468 5.4468 5.5136 5.5136 8.1235 8.1235 8.9368 8.9368 8.9878 8.9878 9.9738 9.9738 9.9986 9.9986 11.5943 11.5943 14.2752 14.2752 14.3674 14.3674 15.9754 15.9754 18.1378 18.1378 k = 0.3065 0.0903 0.0552 ( 2693 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4338 -37.4338 -33.5420 -33.5420 -33.5010 -33.5010 -11.5455 -11.5455 -11.3533 -11.3533 -11.2805 -11.2805 -7.6164 -7.6164 -6.4536 -6.4536 5.2917 5.2917 5.4456 5.4456 5.5119 5.5119 8.1814 8.1814 8.9403 8.9403 8.9913 8.9913 9.9734 9.9734 9.9981 9.9981 11.5944 11.5944 14.2723 14.2723 14.3644 14.3644 15.8798 15.8798 18.2090 18.2090 k = 0.2903 0.0856 0.0523 ( 2705 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4338 -37.4338 -33.5420 -33.5420 -33.5011 -33.5011 -11.5447 -11.5447 -11.3530 -11.3530 -11.2805 -11.2805 -7.6275 -7.6275 -6.4420 -6.4420 5.2576 5.2576 5.4442 5.4442 5.5103 5.5103 8.2407 8.2407 8.9441 8.9441 8.9950 8.9950 9.9729 9.9729 9.9976 9.9976 11.5943 11.5943 14.2692 14.2692 14.3613 14.3613 15.7862 15.7862 18.2763 18.2763 k = 0.2742 0.0808 0.0494 ( 2711 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4339 -37.4339 -33.5420 -33.5420 -33.5011 -33.5011 -11.5438 -11.5438 -11.3527 -11.3527 -11.2806 -11.2806 -7.6387 -7.6387 -6.4303 -6.4303 5.2237 5.2237 5.4429 5.4429 5.5087 5.5087 8.3009 8.3009 8.9479 8.9479 8.9989 8.9989 9.9724 9.9724 9.9971 9.9971 11.5941 11.5941 14.2661 14.2661 14.3581 14.3581 15.6950 15.6950 18.3395 18.3395 k = 0.2581 0.0761 0.0465 ( 2714 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4339 -37.4339 -33.5420 -33.5420 -33.5011 -33.5011 -11.5429 -11.5429 -11.3524 -11.3524 -11.2806 -11.2806 -7.6498 -7.6498 -6.4186 -6.4186 5.1902 5.1902 5.4415 5.4415 5.5071 5.5071 8.3616 8.3616 8.9518 8.9518 9.0028 9.0028 9.9719 9.9719 9.9965 9.9965 11.5937 11.5937 14.2629 14.2629 14.3548 14.3548 15.6065 15.6065 18.3985 18.3985 k = 0.2419 0.0713 0.0436 ( 2713 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4339 -37.4339 -33.5420 -33.5420 -33.5011 -33.5011 -11.5420 -11.5420 -11.3520 -11.3520 -11.2806 -11.2806 -7.6608 -7.6608 -6.4071 -6.4071 5.1576 5.1576 5.4402 5.4402 5.5056 5.5056 8.4221 8.4221 8.9558 8.9558 9.0067 9.0067 9.9714 9.9714 9.9960 9.9960 11.5931 11.5931 14.2597 14.2597 14.3515 14.3515 15.5210 15.5210 18.4532 18.4532 k = 0.2258 0.0666 0.0407 ( 2719 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4339 -37.4339 -33.5420 -33.5420 -33.5012 -33.5012 -11.5411 -11.5411 -11.3517 -11.3517 -11.2806 -11.2806 -7.6716 -7.6716 -6.3958 -6.3958 5.1260 5.1260 5.4388 5.4388 5.5041 5.5041 8.4820 8.4820 8.9597 8.9597 9.0106 9.0106 9.9709 9.9709 9.9954 9.9954 11.5923 11.5923 14.2566 14.2566 14.3483 14.3483 15.4388 15.4388 18.5036 18.5036 k = 0.2097 0.0618 0.0378 ( 2719 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4339 -37.4339 -33.5420 -33.5420 -33.5012 -33.5012 -11.5402 -11.5402 -11.3513 -11.3513 -11.2806 -11.2806 -7.6820 -7.6820 -6.3848 -6.3848 5.0957 5.0957 5.4375 5.4375 5.5026 5.5026 8.5407 8.5407 8.9636 8.9636 9.0144 9.0144 9.9704 9.9704 9.9949 9.9949 11.5912 11.5912 14.2534 14.2534 14.3450 14.3450 15.3603 15.3603 18.5496 18.5496 k = 0.1935 0.0571 0.0349 ( 2716 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4339 -37.4339 -33.5420 -33.5420 -33.5012 -33.5012 -11.5393 -11.5393 -11.3509 -11.3509 -11.2806 -11.2806 -7.6920 -7.6920 -6.3743 -6.3743 5.0669 5.0669 5.4362 5.4362 5.5012 5.5012 8.5977 8.5977 8.9675 8.9675 9.0182 9.0182 9.9698 9.9698 9.9943 9.9943 11.5899 11.5899 14.2504 14.2504 14.3419 14.3419 15.2859 15.2859 18.5913 18.5913 k = 0.1774 0.0523 0.0320 ( 2719 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4339 -37.4339 -33.5420 -33.5420 -33.5012 -33.5012 -11.5384 -11.5384 -11.3506 -11.3506 -11.2806 -11.2806 -7.7015 -7.7015 -6.3643 -6.3643 5.0398 5.0398 5.4349 5.4349 5.4998 5.4998 8.6525 8.6525 8.9712 8.9712 9.0218 9.0218 9.9693 9.9693 9.9938 9.9938 11.5885 11.5885 14.2474 14.2474 14.3389 14.3389 15.2158 15.2158 18.6289 18.6289 k = 0.1613 0.0476 0.0290 ( 2725 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5420 -33.5420 -33.5012 -33.5012 -11.5377 -11.5377 -11.3503 -11.3503 -11.2806 -11.2806 -7.7104 -7.7104 -6.3549 -6.3549 5.0146 5.0146 5.4337 5.4337 5.4985 5.4985 8.7046 8.7046 8.9748 8.9748 9.0253 9.0253 9.9688 9.9688 9.9933 9.9933 11.5868 11.5868 14.2446 14.2446 14.3360 14.3360 15.1504 15.1504 18.6623 18.6623 k = 0.1452 0.0428 0.0261 ( 2725 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5420 -33.5420 -33.5012 -33.5012 -11.5369 -11.5369 -11.3500 -11.3500 -11.2806 -11.2806 -7.7187 -7.7187 -6.3462 -6.3462 4.9914 4.9914 5.4326 5.4326 5.4974 5.4974 8.7535 8.7535 8.9783 8.9783 9.0284 9.0284 9.9683 9.9683 9.9928 9.9928 11.5850 11.5850 14.2420 14.2420 14.3333 14.3333 15.0901 15.0901 18.6919 18.6919 k = 0.1290 0.0380 0.0232 ( 2731 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5421 -33.5421 -33.5012 -33.5012 -11.5362 -11.5362 -11.3498 -11.3498 -11.2807 -11.2807 -7.7262 -7.7262 -6.3382 -6.3382 4.9702 4.9702 5.4316 5.4316 5.4962 5.4962 8.7987 8.7987 8.9816 8.9816 9.0314 9.0314 9.9679 9.9679 9.9924 9.9924 11.5831 11.5831 14.2396 14.2396 14.3307 14.3307 15.0351 15.0351 18.7178 18.7178 k = 0.1129 0.0333 0.0203 ( 2731 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5421 -33.5421 -33.5012 -33.5012 -11.5355 -11.5355 -11.3495 -11.3495 -11.2807 -11.2807 -7.7330 -7.7330 -6.3311 -6.3311 4.9513 4.9513 5.4306 5.4306 5.4952 5.4952 8.8396 8.8396 8.9849 8.9849 9.0341 9.0341 9.9674 9.9674 9.9920 9.9920 11.5812 11.5812 14.2374 14.2374 14.3284 14.3284 14.9858 14.9858 18.7400 18.7400 k = 0.0968 0.0285 0.0174 ( 2731 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5421 -33.5421 -33.5012 -33.5012 -11.5350 -11.5350 -11.3492 -11.3492 -11.2807 -11.2807 -7.7390 -7.7390 -6.3248 -6.3248 4.9348 4.9348 5.4298 5.4298 5.4943 5.4943 8.8758 8.8758 8.9881 8.9881 9.0366 9.0366 9.9670 9.9670 9.9916 9.9916 11.5793 11.5793 14.2354 14.2354 14.3264 14.3264 14.9424 14.9424 18.7589 18.7589 k = 0.0806 0.0238 0.0145 ( 2725 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5421 -33.5421 -33.5012 -33.5012 -11.5344 -11.5344 -11.3490 -11.3490 -11.2807 -11.2807 -7.7441 -7.7441 -6.3193 -6.3193 4.9207 4.9207 5.4291 5.4291 5.4936 5.4936 8.9066 8.9066 8.9914 8.9914 9.0387 9.0387 9.9667 9.9667 9.9913 9.9913 11.5776 11.5776 14.2337 14.2337 14.3247 14.3247 14.9052 14.9052 18.7746 18.7746 k = 0.0645 0.0190 0.0116 ( 2722 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5421 -33.5421 -33.5012 -33.5012 -11.5340 -11.5340 -11.3488 -11.3488 -11.2806 -11.2806 -7.7484 -7.7484 -6.3149 -6.3149 4.9090 4.9090 5.4285 5.4285 5.4930 5.4930 8.9315 8.9315 8.9951 8.9951 9.0404 9.0404 9.9664 9.9664 9.9911 9.9911 11.5761 11.5761 14.2323 14.2323 14.3232 14.3232 14.8744 14.8744 18.7871 18.7871 k = 0.0484 0.0143 0.0087 ( 2722 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5421 -33.5421 -33.5012 -33.5012 -11.5337 -11.5337 -11.3487 -11.3487 -11.2806 -11.2806 -7.7517 -7.7517 -6.3113 -6.3113 4.8999 4.8999 5.4280 5.4280 5.4925 5.4925 8.9498 8.9498 8.9993 8.9993 9.0418 9.0418 9.9662 9.9662 9.9909 9.9909 11.5748 11.5748 14.2312 14.2312 14.3220 14.3220 14.8503 14.8503 18.7968 18.7968 k = 0.0323 0.0095 0.0058 ( 2716 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5420 -33.5420 -33.5012 -33.5012 -11.5334 -11.5334 -11.3485 -11.3485 -11.2806 -11.2806 -7.7541 -7.7541 -6.3088 -6.3088 4.8934 4.8934 5.4277 5.4277 5.4921 5.4921 8.9616 8.9616 9.0039 9.0039 9.0428 9.0428 9.9660 9.9660 9.9908 9.9908 11.5738 11.5738 14.2304 14.2304 14.3212 14.3212 14.8329 14.8329 18.8036 18.8036 k = 0.0161 0.0048 0.0029 ( 2716 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5420 -33.5420 -33.5012 -33.5012 -11.5333 -11.5333 -11.3485 -11.3485 -11.2806 -11.2806 -7.7556 -7.7556 -6.3073 -6.3073 4.8895 4.8895 5.4275 5.4275 5.4919 5.4919 8.9678 8.9678 9.0076 9.0076 9.0434 9.0434 9.9659 9.9659 9.9907 9.9907 11.5732 11.5732 14.2299 14.2299 14.3207 14.3207 14.8224 14.8224 18.8076 18.8076 k = 0.0000 0.0000 0.0000 ( 2725 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5421 -33.5421 -33.5013 -33.5013 -11.5333 -11.5333 -11.3485 -11.3485 -11.2806 -11.2806 -7.7560 -7.7560 -6.3068 -6.3068 4.8881 4.8881 5.4274 5.4274 5.4918 5.4918 8.9696 8.9696 9.0090 9.0090 9.0436 9.0436 9.9659 9.9659 9.9906 9.9906 11.5730 11.5730 14.2297 14.2297 14.3205 14.3205 14.8189 14.8189 18.8089 18.8089 k = 0.0000 0.0000 0.0000 ( 2725 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5421 -33.5421 -33.5013 -33.5013 -11.5333 -11.5333 -11.3485 -11.3485 -11.2806 -11.2806 -7.7560 -7.7560 -6.3068 -6.3068 4.8881 4.8881 5.4274 5.4274 5.4918 5.4918 8.9696 8.9696 9.0090 9.0090 9.0436 9.0436 9.9659 9.9659 9.9906 9.9906 11.5730 11.5730 14.2297 14.2297 14.3205 14.3205 14.8189 14.8189 18.8089 18.8089 k = 0.0049-0.0076-0.0148 ( 2725 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4340 -37.4340 -33.5421 -33.5421 -33.5013 -33.5013 -11.5333 -11.5333 -11.3486 -11.3486 -11.2807 -11.2807 -7.7553 -7.7553 -6.3071 -6.3071 4.8893 4.8893 5.4277 5.4277 5.4921 5.4921 8.9672 8.9672 9.0064 9.0064 9.0380 9.0380 9.9700 9.9700 9.9943 9.9943 11.5732 11.5732 14.2284 14.2284 14.3192 14.3192 14.8222 14.8222 18.8125 18.8125 k = 0.0098-0.0152-0.0296 ( 2719 PWs) bands (ev): -66.8764 -66.8764 -39.4666 -39.4666 -37.4341 -37.4341 -33.5424 -33.5424 -33.5013 -33.5013 -11.5332 -11.5332 -11.3487 -11.3487 -11.2810 -11.2810 -7.7531 -7.7531 -6.3081 -6.3081 4.8928 4.8928 5.4286 5.4286 5.4930 5.4930 8.9575 8.9575 9.0002 9.0002 9.0230 9.0230 9.9819 9.9819 10.0050 10.0050 11.5738 11.5738 14.2243 14.2243 14.3154 14.3154 14.8321 14.8321 18.8231 18.8231 k = 0.0147-0.0228-0.0444 ( 2717 PWs) bands (ev): -66.8763 -66.8763 -39.4666 -39.4666 -37.4343 -37.4343 -33.5427 -33.5427 -33.5013 -33.5013 -11.5331 -11.5331 -11.3489 -11.3489 -11.2815 -11.2815 -7.7495 -7.7495 -6.3098 -6.3098 4.8985 4.8985 5.4299 5.4299 5.4946 5.4946 8.9354 8.9354 8.9869 8.9869 9.0086 9.0086 10.0008 10.0008 10.0221 10.0221 11.5748 11.5748 14.2172 14.2172 14.3094 14.3094 14.8487 14.8487 18.8406 18.8406 k = 0.0196-0.0304-0.0592 ( 2715 PWs) bands (ev): -66.8763 -66.8763 -39.4665 -39.4665 -37.4345 -37.4345 -33.5433 -33.5433 -33.5014 -33.5014 -11.5330 -11.5330 -11.3493 -11.3493 -11.2822 -11.2822 -7.7444 -7.7444 -6.3122 -6.3122 4.9066 4.9066 5.4315 5.4315 5.4970 5.4970 8.8996 8.8996 8.9577 8.9577 9.0070 9.0070 10.0255 10.0255 10.0445 10.0445 11.5761 11.5761 14.2068 14.2068 14.3017 14.3017 14.8718 14.8718 18.8648 18.8648 k = 0.0245-0.0380-0.0740 ( 2709 PWs) bands (ev): -66.8762 -66.8762 -39.4664 -39.4664 -37.4347 -37.4347 -33.5439 -33.5439 -33.5014 -33.5014 -11.5328 -11.5328 -11.3498 -11.3498 -11.2830 -11.2830 -7.7379 -7.7379 -6.3152 -6.3152 4.9169 4.9169 5.4334 5.4334 5.5004 5.5004 8.8519 8.8519 8.9211 8.9211 9.0108 9.0108 10.0546 10.0546 10.0713 10.0713 11.5777 11.5777 14.1926 14.1926 14.2926 14.2926 14.9015 14.9015 18.8956 18.8956 k = 0.0294-0.0456-0.0888 ( 2705 PWs) bands (ev): -66.8761 -66.8761 -39.4662 -39.4662 -37.4351 -37.4351 -33.5447 -33.5447 -33.5015 -33.5015 -11.5327 -11.5327 -11.3503 -11.3503 -11.2840 -11.2840 -7.7300 -7.7300 -6.3189 -6.3189 4.9295 4.9295 5.4354 5.4354 5.5049 5.5049 8.7946 8.7946 8.8799 8.8799 9.0168 9.0168 10.0869 10.0869 10.1017 10.1017 11.5795 11.5795 14.1747 14.1747 14.2825 14.2825 14.9378 14.9378 18.9325 18.9325 k = 0.0343-0.0532-0.1036 ( 2709 PWs) bands (ev): -66.8760 -66.8760 -39.4661 -39.4661 -37.4355 -37.4355 -33.5457 -33.5457 -33.5017 -33.5017 -11.5325 -11.5325 -11.3511 -11.3511 -11.2852 -11.2852 -7.7207 -7.7207 -6.3232 -6.3232 4.9442 4.9442 5.4372 5.4372 5.5107 5.5107 8.7298 8.7298 8.8351 8.8351 9.0242 9.0242 10.1207 10.1207 10.1351 10.1351 11.5815 11.5815 14.1531 14.1531 14.2716 14.2716 14.9805 14.9805 18.9753 18.9753 k = 0.0392-0.0608-0.1184 ( 2705 PWs) bands (ev): -66.8759 -66.8759 -39.4659 -39.4659 -37.4359 -37.4359 -33.5469 -33.5469 -33.5018 -33.5018 -11.5323 -11.5323 -11.3519 -11.3519 -11.2866 -11.2866 -7.7101 -7.7101 -6.3282 -6.3282 4.9612 4.9612 5.4389 5.4389 5.5180 5.5180 8.6591 8.6591 8.7872 8.7872 9.0326 9.0326 10.1545 10.1545 10.1718 10.1718 11.5836 11.5836 14.1280 14.1280 14.2599 14.2599 15.0293 15.0293 19.0235 19.0235 k = 0.0441-0.0683-0.1332 ( 2703 PWs) bands (ev): -66.8757 -66.8757 -39.4657 -39.4657 -37.4365 -37.4365 -33.5481 -33.5481 -33.5019 -33.5019 -11.5321 -11.5321 -11.3528 -11.3528 -11.2880 -11.2880 -7.6981 -7.6981 -6.3337 -6.3337 4.9803 4.9803 5.4404 5.4404 5.5267 5.5267 8.5837 8.5837 8.7367 8.7367 9.0419 9.0419 10.1875 10.1875 10.2110 10.2110 11.5858 11.5858 14.1001 14.1001 14.2473 14.2473 15.0842 15.0842 19.0767 19.0767 k = 0.0490-0.0759-0.1480 ( 2701 PWs) bands (ev): -66.8755 -66.8755 -39.4655 -39.4655 -37.4370 -37.4370 -33.5496 -33.5496 -33.5020 -33.5020 -11.5319 -11.5319 -11.3538 -11.3538 -11.2896 -11.2896 -7.6848 -7.6848 -6.3398 -6.3398 5.0015 5.0015 5.4418 5.4418 5.5368 5.5368 8.5047 8.5047 8.6839 8.6839 9.0516 9.0516 10.2197 10.2197 10.2521 10.2521 11.5880 11.5880 14.0697 14.0697 14.2337 14.2337 15.1448 15.1448 19.1346 19.1346 k = 0.0539-0.0835-0.1628 ( 2701 PWs) bands (ev): -66.8754 -66.8754 -39.4653 -39.4653 -37.4377 -37.4377 -33.5512 -33.5512 -33.5022 -33.5022 -11.5318 -11.5318 -11.3550 -11.3550 -11.2914 -11.2914 -7.6702 -7.6702 -6.3465 -6.3465 5.0247 5.0247 5.4430 5.4430 5.5483 5.5483 8.4227 8.4227 8.6294 8.6294 9.0616 9.0616 10.2509 10.2509 10.2943 10.2943 11.5900 11.5900 14.0376 14.0376 14.2191 14.2191 15.2108 15.2108 19.1965 19.1965 k = 0.0588-0.0911-0.1776 ( 2699 PWs) bands (ev): -66.8752 -66.8752 -39.4650 -39.4650 -37.4384 -37.4384 -33.5529 -33.5529 -33.5023 -33.5023 -11.5316 -11.5316 -11.3562 -11.3562 -11.2932 -11.2932 -7.6544 -7.6544 -6.3538 -6.3538 5.0500 5.0500 5.4443 5.4443 5.5611 5.5611 8.3386 8.3386 8.5733 8.5733 9.0715 9.0715 10.2811 10.2811 10.3373 10.3373 11.5919 11.5919 14.0041 14.0041 14.2033 14.2033 15.2819 15.2819 19.2621 19.2621 k = 0.0638-0.0987-0.1924 ( 2697 PWs) bands (ev): -66.8750 -66.8750 -39.4647 -39.4647 -37.4391 -37.4391 -33.5547 -33.5547 -33.5025 -33.5025 -11.5315 -11.5315 -11.3576 -11.3576 -11.2951 -11.2951 -7.6374 -7.6374 -6.3615 -6.3615 5.0771 5.0771 5.4458 5.4458 5.5751 5.5751 8.2528 8.2528 8.5161 8.5161 9.0812 9.0812 10.3101 10.3101 10.3806 10.3806 11.5936 11.5936 13.9699 13.9699 14.1864 14.1864 15.3577 15.3577 19.3310 19.3310 k = 0.0687-0.1063-0.2072 ( 2701 PWs) bands (ev): -66.8748 -66.8748 -39.4645 -39.4645 -37.4399 -37.4399 -33.5567 -33.5567 -33.5026 -33.5026 -11.5314 -11.5314 -11.3591 -11.3591 -11.2970 -11.2970 -7.6193 -7.6193 -6.3697 -6.3697 5.1062 5.1062 5.4474 5.4474 5.5901 5.5901 8.1659 8.1659 8.4580 8.4580 9.0904 9.0904 10.3379 10.3379 10.4241 10.4241 11.5949 11.5949 13.9354 13.9354 14.1683 14.1683 15.4379 15.4379 19.4025 19.4025 k = 0.0736-0.1139-0.2220 ( 2695 PWs) bands (ev): -66.8745 -66.8745 -39.4641 -39.4641 -37.4407 -37.4407 -33.5588 -33.5588 -33.5028 -33.5028 -11.5313 -11.5313 -11.3606 -11.3606 -11.2990 -11.2990 -7.6001 -7.6001 -6.3784 -6.3784 5.1370 5.1370 5.4494 5.4494 5.6060 5.6060 8.0784 8.0784 8.3992 8.3992 9.0988 9.0988 10.3645 10.3645 10.4675 10.4675 11.5959 11.5959 13.9011 13.9011 14.1491 14.1491 15.5221 15.5221 19.4763 19.4763 k = 0.0785-0.1215-0.2368 ( 2699 PWs) bands (ev): -66.8743 -66.8743 -39.4638 -39.4638 -37.4416 -37.4416 -33.5610 -33.5610 -33.5029 -33.5029 -11.5313 -11.5313 -11.3622 -11.3622 -11.3010 -11.3010 -7.5798 -7.5798 -6.3875 -6.3875 5.1695 5.1695 5.4518 5.4518 5.6228 5.6228 7.9906 7.9906 8.3399 8.3399 9.1062 9.1062 10.3899 10.3899 10.5107 10.5107 11.5965 11.5965 13.8674 13.8674 14.1289 14.1289 15.6100 15.6100 19.5520 19.5520 k = 0.0834-0.1291-0.2516 ( 2695 PWs) bands (ev): -66.8740 -66.8740 -39.4635 -39.4635 -37.4425 -37.4425 -33.5634 -33.5634 -33.5031 -33.5031 -11.5314 -11.5314 -11.3639 -11.3639 -11.3031 -11.3031 -7.5585 -7.5585 -6.3971 -6.3971 5.2037 5.2037 5.4548 5.4548 5.6402 5.6402 7.9030 7.9030 8.2803 8.2803 9.1124 9.1124 10.4140 10.4140 10.5536 10.5536 11.5966 11.5966 13.8347 13.8347 14.1077 14.1077 15.7013 15.7013 19.6290 19.6290 k = 0.0883-0.1367-0.2664 ( 2697 PWs) bands (ev): -66.8738 -66.8738 -39.4631 -39.4631 -37.4435 -37.4435 -33.5658 -33.5658 -33.5032 -33.5032 -11.5316 -11.5316 -11.3657 -11.3657 -11.3051 -11.3051 -7.5363 -7.5363 -6.4069 -6.4069 5.2394 5.2394 5.4583 5.4583 5.6580 5.6580 7.8160 7.8160 8.2205 8.2205 9.1170 9.1170 10.4369 10.4369 10.5960 10.5960 11.5962 11.5962 13.8033 13.8033 14.0855 14.0855 15.7956 15.7956 19.7069 19.7069 k = 0.0932-0.1443-0.2812 ( 2701 PWs) bands (ev): -66.8735 -66.8735 -39.4628 -39.4628 -37.4445 -37.4445 -33.5684 -33.5684 -33.5034 -33.5034 -11.5318 -11.5318 -11.3675 -11.3675 -11.3072 -11.3072 -7.5132 -7.5132 -6.4171 -6.4171 5.2765 5.2765 5.4625 5.4625 5.6762 5.6762 7.7299 7.7299 8.1607 8.1607 9.1199 9.1199 10.4585 10.4585 10.6379 10.6379 11.5951 11.5951 13.7737 13.7737 14.0625 14.0625 15.8927 15.8927 19.7853 19.7853 k = 0.0981-0.1519-0.2960 ( 2701 PWs) bands (ev): -66.8732 -66.8732 -39.4624 -39.4624 -37.4456 -37.4456 -33.5710 -33.5710 -33.5035 -33.5035 -11.5322 -11.5322 -11.3694 -11.3694 -11.3092 -11.3092 -7.4893 -7.4893 -6.4276 -6.4276 5.3150 5.3150 5.4675 5.4675 5.6945 5.6945 7.6452 7.6452 8.1011 8.1011 9.1209 9.1209 10.4791 10.4791 10.6792 10.6792 11.5934 11.5934 13.7460 13.7460 14.0387 14.0387 15.9921 15.9921 19.8637 19.8637 k = 0.1030-0.1595-0.3108 ( 2699 PWs) bands (ev): -66.8729 -66.8729 -39.4620 -39.4620 -37.4467 -37.4467 -33.5737 -33.5737 -33.5037 -33.5037 -11.5326 -11.5326 -11.3712 -11.3712 -11.3112 -11.3112 -7.4646 -7.4646 -6.4384 -6.4384 5.3546 5.3546 5.4733 5.4733 5.7127 5.7127 7.5623 7.5623 8.0417 8.0417 9.1197 9.1197 10.4985 10.4985 10.7197 10.7197 11.5909 11.5909 13.7206 13.7206 14.0143 14.0143 16.0937 16.0937 19.9417 19.9417 k = 0.1079-0.1671-0.3256 ( 2703 PWs) bands (ev): -66.8726 -66.8726 -39.4616 -39.4616 -37.4478 -37.4478 -33.5765 -33.5765 -33.5039 -33.5039 -11.5332 -11.5332 -11.3731 -11.3731 -11.3132 -11.3132 -7.4392 -7.4392 -6.4494 -6.4494 5.3951 5.3951 5.4802 5.4802 5.7306 5.7306 7.4816 7.4816 7.9827 7.9827 9.1163 9.1163 10.5168 10.5168 10.7595 10.7595 11.5877 11.5877 13.6976 13.6976 13.9894 13.9894 16.1972 16.1972 20.0188 20.0188 k = 0.1128-0.1747-0.3404 ( 2703 PWs) bands (ev): -66.8723 -66.8723 -39.4612 -39.4612 -37.4489 -37.4489 -33.5793 -33.5793 -33.5040 -33.5040 -11.5339 -11.5339 -11.3749 -11.3749 -11.3151 -11.3151 -7.4132 -7.4132 -6.4605 -6.4605 5.4359 5.4359 5.4886 5.4886 5.7478 5.7478 7.4034 7.4034 7.9242 7.9242 9.1104 9.1104 10.5341 10.5341 10.7984 10.7984 11.5835 11.5835 13.6772 13.6772 13.9641 13.9641 16.3024 16.3024 20.0947 20.0947 k = 0.1177-0.1823-0.3552 ( 2709 PWs) bands (ev): -66.8720 -66.8720 -39.4608 -39.4608 -37.4501 -37.4501 -33.5823 -33.5823 -33.5042 -33.5042 -11.5348 -11.5348 -11.3768 -11.3768 -11.3170 -11.3170 -7.3867 -7.3867 -6.4718 -6.4718 5.4739 5.4739 5.5015 5.5015 5.7642 5.7642 7.3282 7.3282 7.8663 7.8663 9.1019 9.1019 10.5505 10.5505 10.8364 10.8364 11.5785 11.5785 13.6594 13.6594 13.9385 13.9385 16.4090 16.4090 20.1688 20.1688 k = 0.1226-0.1898-0.3700 ( 2709 PWs) bands (ev): -66.8716 -66.8716 -39.4604 -39.4604 -37.4513 -37.4513 -33.5852 -33.5852 -33.5044 -33.5044 -11.5358 -11.5358 -11.3785 -11.3785 -11.3189 -11.3189 -7.3596 -7.3596 -6.4832 -6.4832 5.4969 5.4969 5.5310 5.5310 5.7793 5.7793 7.2566 7.2566 7.8092 7.8092 9.0909 9.0909 10.5659 10.5659 10.8734 10.8734 11.5724 11.5724 13.6445 13.6445 13.9129 13.9129 16.5168 16.5168 20.2409 20.2409 k = 0.1275-0.1974-0.3848 ( 2709 PWs) bands (ev): -66.8713 -66.8713 -39.4599 -39.4599 -37.4525 -37.4525 -33.5882 -33.5882 -33.5046 -33.5046 -11.5369 -11.5369 -11.3802 -11.3802 -11.3207 -11.3207 -7.3322 -7.3322 -6.4947 -6.4947 5.5095 5.5095 5.5721 5.5721 5.7930 5.7930 7.1890 7.1890 7.7528 7.7528 9.0772 9.0772 10.5805 10.5805 10.9094 10.9094 11.5652 11.5652 13.6323 13.6323 13.8873 13.8873 16.6256 16.6256 20.3104 20.3104 k = 0.1324-0.2050-0.3996 ( 2707 PWs) bands (ev): -66.8710 -66.8710 -39.4595 -39.4595 -37.4537 -37.4537 -33.5912 -33.5912 -33.5047 -33.5047 -11.5382 -11.5382 -11.3818 -11.3818 -11.3225 -11.3225 -7.3044 -7.3044 -6.5062 -6.5062 5.5211 5.5211 5.6152 5.6152 5.8051 5.8051 7.1258 7.1258 7.6974 7.6974 9.0608 9.0608 10.5942 10.5942 10.9442 10.9442 11.5569 11.5569 13.6230 13.6230 13.8620 13.8620 16.7353 16.7353 20.3770 20.3770 k = 0.1373-0.2126-0.4144 ( 2709 PWs) bands (ev): -66.8707 -66.8707 -39.4591 -39.4591 -37.4549 -37.4549 -33.5942 -33.5942 -33.5049 -33.5049 -11.5396 -11.5396 -11.3834 -11.3834 -11.3242 -11.3242 -7.2764 -7.2764 -6.5177 -6.5177 5.5330 5.5330 5.6580 5.6580 5.8158 5.8158 7.0677 7.0677 7.6431 7.6431 9.0417 9.0417 10.6073 10.6073 10.9779 10.9779 11.5473 11.5473 13.6163 13.6163 13.8370 13.8370 16.8457 16.8457 20.4402 20.4402 k = 0.1422-0.2202-0.4292 ( 2701 PWs) bands (ev): -66.8703 -66.8703 -39.4586 -39.4586 -37.4561 -37.4561 -33.5972 -33.5972 -33.5051 -33.5051 -11.5411 -11.5411 -11.3848 -11.3848 -11.3259 -11.3259 -7.2481 -7.2481 -6.5291 -6.5291 5.5456 5.5456 5.6989 5.6989 5.8260 5.8260 7.0150 7.0150 7.5899 7.5899 9.0200 9.0200 10.6196 10.6196 11.0103 11.0103 11.5366 11.5366 13.6123 13.6123 13.8127 13.8127 16.9566 16.9566 20.4998 20.4998 k = 0.1471-0.2278-0.4440 ( 2707 PWs) bands (ev): -66.8700 -66.8700 -39.4582 -39.4582 -37.4573 -37.4573 -33.6002 -33.6002 -33.5053 -33.5053 -11.5427 -11.5427 -11.3862 -11.3862 -11.3276 -11.3276 -7.2198 -7.2198 -6.5405 -6.5405 5.5588 5.5588 5.7342 5.7342 5.8385 5.8385 6.9681 6.9681 7.5379 7.5379 8.9957 8.9957 10.6314 10.6314 11.0413 11.0413 11.5245 11.5245 13.6107 13.6107 13.7892 13.7892 17.0680 17.0680 20.5554 20.5554 k = 0.1520-0.2354-0.4588 ( 2707 PWs) bands (ev): -66.8696 -66.8696 -39.4577 -39.4577 -37.4586 -37.4586 -33.6033 -33.6033 -33.5056 -33.5056 -11.5445 -11.5445 -11.3875 -11.3875 -11.3292 -11.3292 -7.1914 -7.1914 -6.5517 -6.5517 5.5728 5.5728 5.7579 5.7579 5.8591 5.8591 6.9275 6.9275 7.4873 7.4873 8.9689 8.9689 10.6426 10.6426 11.0707 11.0707 11.5113 11.5113 13.6114 13.6114 13.7667 13.7667 17.1797 17.1797 20.6066 20.6066 k = 0.1569-0.2430-0.4736 ( 2705 PWs) bands (ev): -66.8693 -66.8693 -39.4573 -39.4573 -37.4598 -37.4598 -33.6062 -33.6062 -33.5058 -33.5058 -11.5463 -11.5463 -11.3886 -11.3886 -11.3307 -11.3307 -7.1631 -7.1631 -6.5628 -6.5628 5.5873 5.5873 5.7664 5.7664 5.8911 5.8911 6.8931 6.8931 7.4383 7.4383 8.9398 8.9398 10.6533 10.6533 11.0984 11.0984 11.4970 11.4970 13.6140 13.6140 13.7454 13.7454 17.2916 17.2916 20.6532 20.6532 k = 0.1618-0.2506-0.4884 ( 2705 PWs) bands (ev): -66.8690 -66.8690 -39.4568 -39.4568 -37.4610 -37.4610 -33.6092 -33.6092 -33.5060 -33.5060 -11.5483 -11.5483 -11.3897 -11.3897 -11.3322 -11.3322 -7.1349 -7.1349 -6.5737 -6.5737 5.6024 5.6024 5.7630 5.7630 5.9310 5.9310 6.8651 6.8651 7.3908 7.3908 8.9085 8.9085 10.6637 10.6637 11.1241 11.1241 11.4817 11.4817 13.6181 13.6181 13.7258 13.7258 17.4036 17.4036 20.6950 20.6950 k = 0.1667-0.2582-0.5032 ( 2701 PWs) bands (ev): -66.8686 -66.8686 -39.4564 -39.4564 -37.4622 -37.4622 -33.6121 -33.6121 -33.5063 -33.5063 -11.5502 -11.5502 -11.3908 -11.3908 -11.3337 -11.3337 -7.1070 -7.1070 -6.5844 -6.5844 5.6178 5.6178 5.7521 5.7521 5.9747 5.9747 6.8431 6.8431 7.3451 7.3451 8.8752 8.8752 10.6736 10.6736 11.1475 11.1475 11.4659 11.4659 13.6233 13.6233 13.7083 13.7083 17.5157 17.5157 20.7318 20.7318 k = 0.1716-0.2658-0.5180 ( 2699 PWs) bands (ev): -66.8683 -66.8683 -39.4559 -39.4559 -37.4634 -37.4634 -33.6150 -33.6150 -33.5065 -33.5065 -11.5523 -11.5523 -11.3918 -11.3918 -11.3351 -11.3351 -7.0793 -7.0793 -6.5948 -6.5948 5.6331 5.6331 5.7363 5.7363 6.0200 6.0200 6.8268 6.8268 7.3013 7.3013 8.8399 8.8399 10.6833 10.6833 11.1679 11.1679 11.4500 11.4500 13.6281 13.6281 13.6940 13.6940 17.6277 17.6277 20.7635 20.7635 k = 0.1765-0.2734-0.5328 ( 2705 PWs) bands (ev): -66.8680 -66.8680 -39.4555 -39.4555 -37.4647 -37.4647 -33.6179 -33.6179 -33.5068 -33.5068 -11.5544 -11.5544 -11.3927 -11.3927 -11.3364 -11.3364 -7.0519 -7.0519 -6.6049 -6.6049 5.6474 5.6474 5.7178 5.7178 6.0660 6.0660 6.8155 6.8155 7.2595 7.2595 8.8029 8.8029 10.6927 10.6927 11.1846 11.1846 11.4350 11.4350 13.6307 13.6307 13.6848 13.6848 17.7396 17.7396 20.7901 20.7901 k = 0.1814-0.2810-0.5476 ( 2697 PWs) bands (ev): -66.8677 -66.8677 -39.4551 -39.4551 -37.4658 -37.4658 -33.6207 -33.6207 -33.5071 -33.5071 -11.5564 -11.5564 -11.3936 -11.3936 -11.3376 -11.3376 -7.0250 -7.0250 -6.6147 -6.6147 5.6568 5.6568 5.7015 5.7015 6.1120 6.1120 6.8086 6.8086 7.2199 7.2199 8.7644 8.7644 10.7018 10.7018 11.1966 11.1966 11.4219 11.4219 13.6284 13.6284 13.6830 13.6830 17.8515 17.8515 20.8116 20.8116 k = 0.1864-0.2886-0.5624 ( 2695 PWs) bands (ev): -66.8673 -66.8673 -39.4546 -39.4546 -37.4670 -37.4670 -33.6234 -33.6234 -33.5074 -33.5074 -11.5585 -11.5585 -11.3945 -11.3945 -11.3388 -11.3388 -6.9986 -6.9986 -6.6241 -6.6241 5.6497 5.6497 5.6996 5.6996 6.1578 6.1578 6.8054 6.8054 7.1826 7.1826 8.7245 8.7245 10.7106 10.7106 11.2025 11.2025 11.4124 11.4124 13.6217 13.6217 13.6881 13.6881 17.9631 17.9631 20.8281 20.8281 k = 0.1913-0.2962-0.5772 ( 2694 PWs) bands (ev): -66.8670 -66.8670 -39.4542 -39.4542 -37.4681 -37.4681 -33.6260 -33.6260 -33.5077 -33.5077 -11.5606 -11.5606 -11.3954 -11.3954 -11.3399 -11.3399 -6.9728 -6.9728 -6.6331 -6.6331 5.6282 5.6282 5.7109 5.7109 6.2030 6.2030 6.8052 6.8052 7.1479 7.1479 8.6834 8.6834 10.7190 10.7190 11.2012 11.2012 11.4075 11.4075 13.6132 13.6132 13.6971 13.6971 18.0746 18.0746 20.8397 20.8397 k = 0.1962-0.3038-0.5920 ( 2694 PWs) bands (ev): -66.8667 -66.8667 -39.4538 -39.4538 -37.4692 -37.4692 -33.6286 -33.6286 -33.5080 -33.5080 -11.5626 -11.5626 -11.3964 -11.3964 -11.3409 -11.3409 -6.9477 -6.9477 -6.6418 -6.6418 5.6024 5.6024 5.7256 5.7256 6.2473 6.2473 6.8073 6.8073 7.1159 7.1159 8.6414 8.6414 10.7269 10.7269 11.1929 11.1929 11.4077 11.4077 13.6047 13.6047 13.7081 13.7081 18.1857 18.1857 20.8467 20.8467 k = 0.2011-0.3114-0.6068 ( 2686 PWs) bands (ev): -66.8664 -66.8664 -39.4534 -39.4534 -37.4703 -37.4703 -33.6311 -33.6311 -33.5083 -33.5083 -11.5645 -11.5645 -11.3973 -11.3973 -11.3418 -11.3418 -6.9233 -6.9233 -6.6500 -6.6500 5.5756 5.5756 5.7408 5.7408 6.2904 6.2904 6.8112 6.8112 7.0868 7.0868 8.5986 8.5986 10.7340 10.7340 11.1787 11.1787 11.4123 11.4123 13.5970 13.5970 13.7199 13.7199 18.2967 18.2967 20.8493 20.8493 k = 0.2060-0.3189-0.6216 ( 2690 PWs) bands (ev): -66.8661 -66.8661 -39.4530 -39.4530 -37.4714 -37.4714 -33.6335 -33.6335 -33.5087 -33.5087 -11.5664 -11.5664 -11.3983 -11.3983 -11.3427 -11.3427 -6.8997 -6.8997 -6.6577 -6.6577 5.5489 5.5489 5.7558 5.7558 6.3320 6.3320 6.8164 6.8164 7.0608 7.0608 8.5551 8.5551 10.7399 10.7399 11.1605 11.1605 11.4199 11.4199 13.5903 13.5903 13.7321 13.7321 18.4073 18.4073 20.8477 20.8477 k = 0.2109-0.3265-0.6364 ( 2690 PWs) bands (ev): -66.8659 -66.8659 -39.4527 -39.4527 -37.4724 -37.4724 -33.6359 -33.6359 -33.5090 -33.5090 -11.5682 -11.5682 -11.3993 -11.3993 -11.3435 -11.3435 -6.8769 -6.8769 -6.6650 -6.6650 5.5232 5.5232 5.7700 5.7700 6.3716 6.3716 6.8228 6.8228 7.0381 7.0381 8.5113 8.5113 10.7442 10.7442 11.1402 11.1402 11.4293 11.4293 13.5849 13.5849 13.7442 13.7442 18.5175 18.5175 20.8424 20.8424 k = 0.2158-0.3341-0.6512 ( 2686 PWs) bands (ev): -66.8656 -66.8656 -39.4523 -39.4523 -37.4734 -37.4734 -33.6381 -33.6381 -33.5094 -33.5094 -11.5699 -11.5699 -11.4004 -11.4004 -11.3442 -11.3442 -6.8551 -6.8551 -6.6717 -6.6717 5.4989 5.4989 5.7833 5.7833 6.4090 6.4090 6.8300 6.8300 7.0188 7.0188 8.4672 8.4672 10.7461 10.7461 11.1198 11.1198 11.4396 11.4396 13.5807 13.5807 13.7559 13.7559 18.6275 18.6275 20.8336 20.8336 k = 0.2207-0.3417-0.6660 ( 2680 PWs) bands (ev): -66.8653 -66.8653 -39.4519 -39.4519 -37.4743 -37.4743 -33.6402 -33.6402 -33.5097 -33.5097 -11.5715 -11.5715 -11.4015 -11.4015 -11.3448 -11.3448 -6.8343 -6.8343 -6.6779 -6.6779 5.4764 5.4764 5.7954 5.7954 6.4435 6.4435 6.8381 6.8381 7.0031 7.0031 8.4230 8.4230 10.7447 10.7447 11.1011 11.1011 11.4501 11.4501 13.5777 13.5777 13.7671 13.7671 18.7370 18.7370 20.8216 20.8216 k = 0.2256-0.3493-0.6808 ( 2678 PWs) bands (ev): -66.8651 -66.8651 -39.4516 -39.4516 -37.4752 -37.4752 -33.6422 -33.6422 -33.5101 -33.5101 -11.5730 -11.5730 -11.4027 -11.4027 -11.3453 -11.3453 -6.8145 -6.8145 -6.6835 -6.6835 5.4559 5.4559 5.8060 5.8060 6.4745 6.4745 6.8473 6.8473 6.9911 6.9911 8.3789 8.3789 10.7393 10.7393 11.0857 11.0857 11.4603 11.4603 13.5758 13.5758 13.7775 13.7775 18.8461 18.8461 20.8068 20.8068 k = 0.2305-0.3569-0.6956 ( 2674 PWs) bands (ev): -66.8648 -66.8648 -39.4513 -39.4513 -37.4761 -37.4761 -33.6442 -33.6442 -33.5104 -33.5104 -11.5743 -11.5743 -11.4040 -11.4040 -11.3457 -11.3457 -6.7959 -6.7959 -6.6885 -6.6885 5.4378 5.4378 5.8149 5.8149 6.5014 6.5014 6.8578 6.8578 6.9828 6.9828 8.3351 8.3351 10.7290 10.7290 11.0748 11.0748 11.4701 11.4701 13.5749 13.5749 13.7869 13.7869 18.9548 18.9548 20.7895 20.7895 k = 0.2354-0.3645-0.7104 ( 2676 PWs) bands (ev): -66.8646 -66.8646 -39.4510 -39.4510 -37.4769 -37.4769 -33.6460 -33.6460 -33.5108 -33.5108 -11.5755 -11.5755 -11.4053 -11.4053 -11.3461 -11.3461 -6.7785 -6.7785 -6.6928 -6.6928 5.4221 5.4221 5.8222 5.8222 6.5234 6.5234 6.8699 6.8699 6.9784 6.9784 8.2917 8.2917 10.7136 10.7136 11.0690 11.0690 11.4791 11.4791 13.5750 13.5750 13.7953 13.7953 19.0630 19.0630 20.7699 20.7699 k = 0.2403-0.3721-0.7252 ( 2678 PWs) bands (ev): -66.8644 -66.8644 -39.4507 -39.4507 -37.4778 -37.4778 -33.6477 -33.6477 -33.5112 -33.5112 -11.5766 -11.5766 -11.4067 -11.4067 -11.3464 -11.3464 -6.7624 -6.7624 -6.6964 -6.6964 5.4092 5.4092 5.8276 5.8276 6.5401 6.5401 6.8838 6.8838 6.9776 6.9776 8.2489 8.2489 10.6934 10.6934 11.0686 11.0686 11.4873 11.4873 13.5760 13.5760 13.8026 13.8026 19.1706 19.1706 20.7484 20.7484 k = 0.2452-0.3797-0.7400 ( 2680 PWs) bands (ev): -66.8642 -66.8642 -39.4504 -39.4504 -37.4785 -37.4785 -33.6494 -33.6494 -33.5116 -33.5116 -11.5776 -11.5776 -11.4081 -11.4081 -11.3467 -11.3467 -6.7479 -6.7479 -6.6991 -6.6991 5.3991 5.3991 5.8312 5.8312 6.5511 6.5511 6.8997 6.8997 6.9806 6.9806 8.2069 8.2069 10.6691 10.6691 11.0729 11.0729 11.4946 11.4946 13.5777 13.5777 13.8086 13.8086 19.2776 19.2776 20.7251 20.7251 k = 0.2501-0.3873-0.7548 ( 2680 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4793 -37.4793 -33.6509 -33.6509 -33.5120 -33.5120 -11.5784 -11.5784 -11.4096 -11.4096 -11.3469 -11.3469 -6.7354 -6.7354 -6.7004 -6.7004 5.3920 5.3920 5.8331 5.8331 6.5563 6.5563 6.9173 6.9173 6.9872 6.9872 8.1659 8.1659 10.6419 10.6419 11.0814 11.0814 11.5009 11.5009 13.5801 13.5801 13.8134 13.8134 19.3840 19.3840 20.7003 20.7003 k = 0.2550-0.3949-0.7696 ( 2684 PWs) bands (ev): -66.8638 -66.8638 -39.4499 -39.4499 -37.4799 -37.4799 -33.6523 -33.6523 -33.5124 -33.5124 -11.5791 -11.5791 -11.4111 -11.4111 -11.3471 -11.3471 -6.7258 -6.7258 -6.6994 -6.6994 5.3877 5.3877 5.8332 5.8332 6.5558 6.5558 6.9363 6.9363 6.9971 6.9971 8.1260 8.1260 10.6126 10.6126 11.0930 11.0930 11.5062 11.5062 13.5831 13.5831 13.8170 13.8170 19.4896 19.4896 20.6741 20.6741 k = 0.2599-0.4025-0.7844 ( 2686 PWs) bands (ev): -66.8636 -66.8636 -39.4497 -39.4497 -37.4806 -37.4806 -33.6536 -33.6536 -33.5127 -33.5127 -11.5797 -11.5797 -11.4126 -11.4126 -11.3473 -11.3473 -6.7201 -6.7201 -6.6951 -6.6951 5.3865 5.3865 5.8317 5.8317 6.5500 6.5500 6.9562 6.9562 7.0102 7.0102 8.0874 8.0874 10.5821 10.5821 11.1072 11.1072 11.5104 11.5104 13.5867 13.5867 13.8192 13.8192 19.5943 19.5943 20.6467 20.6467 k = 0.2648-0.4101-0.7991 ( 2686 PWs) bands (ev): -66.8634 -66.8634 -39.4495 -39.4495 -37.4812 -37.4812 -33.6548 -33.6548 -33.5131 -33.5131 -11.5801 -11.5801 -11.4140 -11.4140 -11.3474 -11.3474 -6.7177 -6.7177 -6.6883 -6.6883 5.3883 5.3883 5.8289 5.8289 6.5394 6.5394 6.9766 6.9766 7.0259 7.0259 8.0505 8.0505 10.5514 10.5514 11.1232 11.1232 11.5136 11.5136 13.5906 13.5906 13.8202 13.8202 19.6981 19.6981 20.6183 20.6183 k = 0.2697-0.4177-0.8139 ( 2690 PWs) bands (ev): -66.8633 -66.8633 -39.4493 -39.4493 -37.4817 -37.4817 -33.6559 -33.6559 -33.5135 -33.5135 -11.5804 -11.5804 -11.4155 -11.4155 -11.3475 -11.3475 -6.7167 -6.7167 -6.6808 -6.6808 5.3931 5.3931 5.8249 5.8249 6.5244 6.5244 6.9971 6.9971 7.0435 7.0435 8.0153 8.0153 10.5210 10.5210 11.1405 11.1405 11.5158 11.5158 13.5950 13.5950 13.8201 13.8201 19.8007 19.8007 20.5888 20.5888 k = 0.2746-0.4253-0.8287 ( 2690 PWs) bands (ev): -66.8632 -66.8632 -39.4491 -39.4491 -37.4822 -37.4822 -33.6568 -33.6568 -33.5138 -33.5138 -11.5806 -11.5806 -11.4170 -11.4170 -11.3476 -11.3476 -6.7159 -6.7159 -6.6737 -6.6737 5.4007 5.4007 5.8198 5.8198 6.5056 6.5056 7.0176 7.0176 7.0624 7.0624 7.9822 7.9822 10.4913 10.4913 11.1586 11.1586 11.5170 11.5170 13.5997 13.5997 13.8189 13.8189 19.9021 19.9021 20.5585 20.5585 k = 0.2795-0.4329-0.8435 ( 2686 PWs) bands (ev): -66.8630 -66.8630 -39.4489 -39.4489 -37.4827 -37.4827 -33.6577 -33.6577 -33.5142 -33.5142 -11.5806 -11.5806 -11.4183 -11.4183 -11.3476 -11.3476 -6.7150 -6.7150 -6.6675 -6.6675 5.4111 5.4111 5.8140 5.8140 6.4834 6.4834 7.0378 7.0378 7.0819 7.0819 7.9516 7.9516 10.4630 10.4630 11.1771 11.1771 11.5172 11.5172 13.6047 13.6047 13.8166 13.8166 20.0020 20.0020 20.5273 20.5273 k = 0.2844-0.4404-0.8583 ( 2678 PWs) bands (ev): -66.8629 -66.8629 -39.4488 -39.4488 -37.4830 -37.4830 -33.6584 -33.6584 -33.5145 -33.5145 -11.5806 -11.5806 -11.4196 -11.4196 -11.3476 -11.3476 -6.7138 -6.7138 -6.6623 -6.6623 5.4240 5.4240 5.8076 5.8076 6.4585 6.4585 7.0574 7.0574 7.1012 7.1012 7.9237 7.9237 10.4361 10.4361 11.1955 11.1955 11.5164 11.5164 13.6100 13.6100 13.8135 13.8135 20.1001 20.1001 20.4952 20.4952 k = 0.2893-0.4480-0.8731 ( 2678 PWs) bands (ev): -66.8628 -66.8628 -39.4486 -39.4486 -37.4834 -37.4834 -33.6591 -33.6591 -33.5148 -33.5148 -11.5805 -11.5805 -11.4209 -11.4209 -11.3477 -11.3477 -6.7122 -6.7122 -6.6582 -6.6582 5.4393 5.4393 5.8009 5.8009 6.4313 6.4313 7.0759 7.0759 7.1199 7.1199 7.8990 7.8990 10.4112 10.4112 11.2135 11.2135 11.5148 11.5148 13.6154 13.6154 13.8096 13.8096 20.1962 20.1962 20.4623 20.4623 k = 0.2942-0.4556-0.8879 ( 2678 PWs) bands (ev): -66.8627 -66.8627 -39.4485 -39.4485 -37.4837 -37.4837 -33.6597 -33.6597 -33.5150 -33.5150 -11.5803 -11.5803 -11.4221 -11.4221 -11.3477 -11.3477 -6.7101 -6.7101 -6.6552 -6.6552 5.4565 5.4565 5.7940 5.7940 6.4024 6.4024 7.0931 7.0931 7.1374 7.1374 7.8780 7.8780 10.3882 10.3882 11.2308 11.2308 11.5124 11.5124 13.6211 13.6211 13.8051 13.8051 20.2897 20.2897 20.4289 20.4289 k = 0.2991-0.4632-0.9027 ( 2680 PWs) bands (ev): -66.8627 -66.8627 -39.4484 -39.4484 -37.4840 -37.4840 -33.6602 -33.6602 -33.5153 -33.5153 -11.5802 -11.5802 -11.4232 -11.4232 -11.3478 -11.3478 -6.7077 -6.7077 -6.6533 -6.6533 5.4753 5.4753 5.7872 5.7872 6.3724 6.3724 7.1084 7.1084 7.1533 7.1533 7.8609 7.8609 10.3674 10.3674 11.2471 11.2471 11.5093 11.5093 13.6269 13.6269 13.8002 13.8002 20.3745 20.3745 20.4007 20.4007 k = 0.3040-0.4708-0.9175 ( 2682 PWs) bands (ev): -66.8626 -66.8626 -39.4483 -39.4483 -37.4842 -37.4842 -33.6606 -33.6606 -33.5155 -33.5155 -11.5799 -11.5799 -11.4242 -11.4242 -11.3478 -11.3478 -6.7048 -6.7048 -6.6524 -6.6524 5.4951 5.4951 5.7806 5.7806 6.3422 6.3422 7.1216 7.1216 7.1671 7.1671 7.8485 7.8485 10.3489 10.3489 11.2618 11.2618 11.5056 11.5056 13.6329 13.6329 13.7951 13.7951 20.3559 20.3559 20.4719 20.4719 k = 0.3090-0.4784-0.9323 ( 2684 PWs) bands (ev): -66.8625 -66.8625 -39.4482 -39.4482 -37.4845 -37.4845 -33.6610 -33.6610 -33.5157 -33.5157 -11.5797 -11.5797 -11.4250 -11.4250 -11.3479 -11.3479 -6.7017 -6.7017 -6.6525 -6.6525 5.5150 5.5150 5.7744 5.7744 6.3127 6.3127 7.1324 7.1324 7.1784 7.1784 7.8410 7.8410 10.3328 10.3328 11.2748 11.2748 11.5016 11.5016 13.6391 13.6391 13.7898 13.7898 20.3196 20.3196 20.5564 20.5564 k = 0.3139-0.4860-0.9471 ( 2682 PWs) bands (ev): -66.8625 -66.8625 -39.4482 -39.4482 -37.4846 -37.4846 -33.6612 -33.6612 -33.5159 -33.5159 -11.5794 -11.5794 -11.4257 -11.4257 -11.3479 -11.3479 -6.6983 -6.6983 -6.6534 -6.6534 5.5342 5.5342 5.7686 5.7686 6.2852 6.2852 7.1404 7.1404 7.1870 7.1870 7.8387 7.8387 10.3189 10.3189 11.2856 11.2856 11.4974 11.4974 13.6454 13.6454 13.7847 13.7847 20.2818 20.2818 20.6375 20.6375 k = 0.3188-0.4936-0.9619 ( 2680 PWs) bands (ev): -66.8625 -66.8625 -39.4481 -39.4481 -37.4847 -37.4847 -33.6614 -33.6614 -33.5160 -33.5160 -11.5792 -11.5792 -11.4263 -11.4263 -11.3479 -11.3479 -6.6947 -6.6947 -6.6551 -6.6551 5.5513 5.5513 5.7635 5.7635 6.2609 6.2609 7.1455 7.1455 7.1927 7.1927 7.8417 7.8417 10.3073 10.3073 11.2940 11.2940 11.4933 11.4933 13.6518 13.6518 13.7800 13.7800 20.2426 20.2426 20.7144 20.7144 k = 0.3237-0.5012-0.9767 ( 2680 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4848 -37.4848 -33.6616 -33.6616 -33.5161 -33.5161 -11.5790 -11.5790 -11.4267 -11.4267 -11.3479 -11.3479 -6.6914 -6.6914 -6.6572 -6.6572 5.5649 5.5649 5.7590 5.7590 6.2417 6.2417 7.1474 7.1474 7.1958 7.1958 7.8497 7.8497 10.2980 10.2980 11.2995 11.2995 11.4893 11.4893 13.6583 13.6583 13.7757 13.7757 20.2022 20.2022 20.7866 20.7866 k = 0.3286-0.5088-0.9915 ( 2682 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4849 -37.4849 -33.6616 -33.6616 -33.5162 -33.5162 -11.5789 -11.5789 -11.4269 -11.4269 -11.3480 -11.3480 -6.6887 -6.6887 -6.6592 -6.6592 5.5735 5.5735 5.7549 5.7549 6.2293 6.2293 7.1458 7.1458 7.1968 7.1968 7.8625 7.8625 10.2908 10.2908 11.3021 11.3021 11.4858 11.4858 13.6649 13.6649 13.7722 13.7722 20.1603 20.1603 20.8535 20.8535 k = 0.3335-0.5164-1.0063 ( 2682 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4849 -37.4849 -33.6617 -33.6617 -33.5162 -33.5162 -11.5788 -11.5788 -11.4270 -11.4270 -11.3480 -11.3480 -6.6876 -6.6876 -6.6600 -6.6600 5.5757 5.5757 5.7512 5.7512 6.2256 6.2256 7.1407 7.1407 7.1961 7.1961 7.8794 7.8794 10.2855 10.2855 11.3015 11.3015 11.4827 11.4827 13.6716 13.6716 13.7697 13.7697 20.1170 20.1170 20.9148 20.9148 k = 0.3384-0.5240-1.0211 ( 2678 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4848 -37.4848 -33.6616 -33.6616 -33.5161 -33.5161 -11.5788 -11.5788 -11.4268 -11.4268 -11.3479 -11.3479 -6.6891 -6.6891 -6.6588 -6.6588 5.5705 5.5705 5.7478 5.7478 6.2317 6.2317 7.1322 7.1322 7.1941 7.1941 7.8999 7.8999 10.2821 10.2821 11.2979 11.2979 11.4800 11.4800 13.6783 13.6783 13.7683 13.7683 20.0721 20.0721 20.9700 20.9700 k = 0.3433-0.5316-1.0359 ( 2672 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4848 -37.4848 -33.6615 -33.6615 -33.5161 -33.5161 -11.5788 -11.5788 -11.4265 -11.4265 -11.3479 -11.3479 -6.6931 -6.6931 -6.6556 -6.6556 5.5576 5.5576 5.7447 5.7447 6.2482 6.2482 7.1208 7.1208 7.1909 7.1909 7.9233 7.9233 10.2802 10.2802 11.2914 11.2914 11.4775 11.4775 13.6850 13.6850 13.7681 13.7681 20.0257 20.0257 21.0189 21.0189 k = 0.6567-0.3842-0.9459 ( 2672 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4848 -37.4848 -33.6615 -33.6615 -33.5161 -33.5161 -11.5788 -11.5788 -11.4265 -11.4265 -11.3479 -11.3479 -6.6931 -6.6931 -6.6556 -6.6556 5.5576 5.5576 5.7447 5.7447 6.2482 6.2482 7.1208 7.1208 7.1909 7.1909 7.9233 7.9233 10.2802 10.2802 11.2914 11.2914 11.4775 11.4775 13.6850 13.6850 13.7681 13.7681 20.0257 20.0257 21.0189 21.0189 k = 0.6518-0.3676-0.9459 ( 2674 PWs) bands (ev): -66.8624 -66.8624 -39.4481 -39.4481 -37.4847 -37.4847 -33.6615 -33.6615 -33.5160 -33.5160 -11.5790 -11.5790 -11.4260 -11.4260 -11.3478 -11.3478 -6.6989 -6.6989 -6.6508 -6.6508 5.5371 5.5371 5.7422 5.7422 6.2746 6.2746 7.1068 7.1068 7.1867 7.1867 7.9488 7.9488 10.2798 10.2798 11.2823 11.2823 11.4750 11.4750 13.6916 13.6916 13.7695 13.7695 19.9777 19.9777 21.0613 21.0613 k = 0.6469-0.3509-0.9459 ( 2676 PWs) bands (ev): -66.8625 -66.8625 -39.4482 -39.4482 -37.4846 -37.4846 -33.6613 -33.6613 -33.5158 -33.5158 -11.5793 -11.5793 -11.4254 -11.4254 -11.3477 -11.3477 -6.7061 -6.7061 -6.6452 -6.6452 5.5100 5.5100 5.7407 5.7407 6.3097 6.3097 7.0908 7.0908 7.1815 7.1815 7.9759 7.9759 10.2805 10.2805 11.2710 11.2710 11.4722 11.4722 13.6982 13.6982 13.7723 13.7723 19.9281 19.9281 21.0972 21.0972 k = 0.6420-0.3343-0.9459 ( 2678 PWs) bands (ev): -66.8625 -66.8625 -39.4482 -39.4482 -37.4845 -37.4845 -33.6612 -33.6612 -33.5157 -33.5157 -11.5797 -11.5797 -11.4247 -11.4247 -11.3476 -11.3476 -6.7142 -6.7142 -6.6390 -6.6390 5.4773 5.4773 5.7403 5.7403 6.3525 6.3525 7.0732 7.0732 7.1754 7.1754 8.0041 8.0041 10.2821 10.2821 11.2578 11.2578 11.4689 11.4689 13.7048 13.7048 13.7769 13.7769 19.8767 19.8767 21.1268 21.1268 k = 0.6371-0.3177-0.9459 ( 2672 PWs) bands (ev): -66.8626 -66.8626 -39.4483 -39.4483 -37.4843 -37.4843 -33.6610 -33.6610 -33.5154 -33.5154 -11.5801 -11.5801 -11.4237 -11.4237 -11.3474 -11.3474 -6.7230 -6.7230 -6.6324 -6.6324 5.4403 5.4403 5.7412 5.7412 6.4016 6.4016 7.0543 7.0543 7.1684 7.1684 8.0330 8.0330 10.2844 10.2844 11.2431 11.2431 11.4649 11.4649 13.7114 13.7114 13.7831 13.7831 19.8237 19.8237 21.1504 21.1504 k = 0.6322-0.3011-0.9459 ( 2676 PWs) bands (ev): -66.8626 -66.8626 -39.4483 -39.4483 -37.4842 -37.4842 -33.6608 -33.6608 -33.5151 -33.5151 -11.5807 -11.5807 -11.4227 -11.4227 -11.3472 -11.3472 -6.7323 -6.7323 -6.6256 -6.6256 5.4001 5.4001 5.7432 5.7432 6.4559 6.4559 7.0346 7.0346 7.1608 7.1608 8.0620 8.0620 10.2871 10.2871 11.2271 11.2271 11.4601 11.4601 13.7181 13.7181 13.7910 13.7910 19.7691 19.7691 21.1684 21.1684 k = 0.6273-0.2845-0.9459 ( 2676 PWs) bands (ev): -66.8627 -66.8627 -39.4484 -39.4484 -37.4840 -37.4840 -33.6606 -33.6606 -33.5148 -33.5148 -11.5814 -11.5814 -11.4216 -11.4216 -11.3468 -11.3468 -6.7421 -6.7421 -6.6185 -6.6185 5.3577 5.3577 5.7465 5.7465 6.5145 6.5145 7.0141 7.0141 7.1526 7.1526 8.0909 8.0909 10.2898 10.2898 11.2102 11.2102 11.4545 11.4545 13.7247 13.7247 13.8006 13.8006 19.7128 19.7128 21.1811 21.1811 k = 0.6224-0.2679-0.9459 ( 2676 PWs) bands (ev): -66.8627 -66.8627 -39.4485 -39.4485 -37.4838 -37.4838 -33.6604 -33.6604 -33.5145 -33.5145 -11.5821 -11.5821 -11.4204 -11.4204 -11.3465 -11.3465 -6.7523 -6.7523 -6.6113 -6.6113 5.3137 5.3137 5.7509 5.7509 6.5764 6.5764 6.9930 6.9930 7.1441 7.1441 8.1195 8.1195 10.2924 10.2924 11.1926 11.1926 11.4481 11.4481 13.7313 13.7313 13.8120 13.8120 19.6551 19.6551 21.1891 21.1891 k = 0.6175-0.2513-0.9459 ( 2678 PWs) bands (ev): -66.8628 -66.8628 -39.4485 -39.4485 -37.4836 -37.4836 -33.6602 -33.6602 -33.5141 -33.5141 -11.5829 -11.5829 -11.4192 -11.4192 -11.3461 -11.3461 -6.7627 -6.7627 -6.6040 -6.6040 5.2689 5.2689 5.7566 5.7566 6.6408 6.6408 6.9716 6.9716 7.1355 7.1355 8.1473 8.1473 10.2945 10.2945 11.1744 11.1744 11.4409 11.4409 13.7379 13.7379 13.8251 13.8251 19.5959 19.5959 21.1930 21.1930 k = 0.6126-0.2347-0.9459 ( 2676 PWs) bands (ev): -66.8628 -66.8628 -39.4486 -39.4486 -37.4834 -37.4834 -33.6600 -33.6600 -33.5137 -33.5137 -11.5838 -11.5838 -11.4178 -11.4178 -11.3455 -11.3455 -6.7733 -6.7733 -6.5967 -6.5967 5.2238 5.2238 5.7633 5.7633 6.7069 6.7069 6.9501 6.9501 7.1272 7.1272 8.1742 8.1742 10.2959 10.2959 11.1559 11.1559 11.4331 11.4331 13.7444 13.7444 13.8400 13.8400 19.5355 19.5355 21.1932 21.1932 k = 0.6077-0.2180-0.9459 ( 2676 PWs) bands (ev): -66.8629 -66.8629 -39.4487 -39.4487 -37.4832 -37.4832 -33.6597 -33.6597 -33.5132 -33.5132 -11.5848 -11.5848 -11.4165 -11.4165 -11.3449 -11.3449 -6.7841 -6.7841 -6.5893 -6.5893 5.1788 5.1788 5.7712 5.7712 6.7731 6.7731 6.9289 6.9289 7.1200 7.1200 8.2002 8.2002 10.2962 10.2962 11.1373 11.1373 11.4247 11.4247 13.7507 13.7507 13.8566 13.8566 19.4741 19.4741 21.1902 21.1902 k = 0.6028-0.2014-0.9459 ( 2682 PWs) bands (ev): -66.8630 -66.8630 -39.4488 -39.4488 -37.4830 -37.4830 -33.6596 -33.6596 -33.5128 -33.5128 -11.5858 -11.5858 -11.4152 -11.4152 -11.3443 -11.3443 -6.7949 -6.7949 -6.5820 -6.5820 5.1342 5.1342 5.7801 5.7801 6.8361 6.8361 6.9099 6.9099 7.1150 7.1150 8.2249 8.2249 10.2952 10.2952 11.1188 11.1188 11.4158 11.4158 13.7568 13.7568 13.8750 13.8750 19.4117 19.4117 21.1845 21.1845 k = 0.5980-0.1848-0.9459 ( 2686 PWs) bands (ev): -66.8630 -66.8630 -39.4489 -39.4489 -37.4827 -37.4827 -33.6594 -33.6594 -33.5123 -33.5123 -11.5869 -11.5869 -11.4140 -11.4140 -11.3436 -11.3436 -6.8056 -6.8056 -6.5748 -6.5748 5.0903 5.0903 5.7900 5.7900 6.8691 6.8691 6.9170 6.9170 7.1151 7.1151 8.2483 8.2483 10.2927 10.2927 11.1004 11.1004 11.4068 11.4068 13.7625 13.7625 13.8950 13.8950 19.3486 19.3486 21.1765 21.1765 k = 0.5931-0.1682-0.9459 ( 2688 PWs) bands (ev): -66.8631 -66.8631 -39.4490 -39.4490 -37.4825 -37.4825 -33.6592 -33.6592 -33.5118 -33.5118 -11.5879 -11.5879 -11.4128 -11.4128 -11.3427 -11.3427 -6.8163 -6.8163 -6.5677 -6.5677 5.0474 5.0474 5.8010 5.8010 6.8541 6.8541 6.9613 6.9613 7.1266 7.1266 8.2704 8.2704 10.2885 10.2885 11.0824 11.0824 11.3976 11.3976 13.7679 13.7679 13.9165 13.9165 19.2852 19.2852 21.1666 21.1666 k = 0.5882-0.1516-0.9459 ( 2684 PWs) bands (ev): -66.8632 -66.8632 -39.4491 -39.4491 -37.4823 -37.4823 -33.6590 -33.6590 -33.5113 -33.5113 -11.5890 -11.5890 -11.4115 -11.4115 -11.3418 -11.3418 -6.8268 -6.8268 -6.5607 -6.5607 5.0058 5.0058 5.8128 5.8128 6.8328 6.8328 6.9923 6.9923 7.1585 7.1585 8.2911 8.2911 10.2823 10.2823 11.0649 11.0649 11.3886 11.3886 13.7729 13.7729 13.9395 13.9395 19.2216 19.2216 21.1553 21.1553 k = 0.5833-0.1350-0.9459 ( 2676 PWs) bands (ev): -66.8632 -66.8632 -39.4492 -39.4492 -37.4820 -37.4820 -33.6588 -33.6588 -33.5107 -33.5107 -11.5901 -11.5901 -11.4104 -11.4104 -11.3407 -11.3407 -6.8371 -6.8371 -6.5539 -6.5539 4.9655 4.9655 5.8256 5.8256 6.8106 6.8106 7.0039 7.0039 7.2110 7.2110 8.3103 8.3103 10.2740 10.2740 11.0480 11.0480 11.3798 11.3798 13.7775 13.7775 13.9637 13.9637 19.1583 19.1583 21.1427 21.1427 k = 0.5784-0.1184-0.9459 ( 2676 PWs) bands (ev): -66.8633 -66.8633 -39.4493 -39.4493 -37.4818 -37.4818 -33.6586 -33.6586 -33.5101 -33.5101 -11.5912 -11.5912 -11.4093 -11.4093 -11.3397 -11.3397 -6.8472 -6.8472 -6.5473 -6.5473 4.9268 4.9268 5.8392 5.8392 6.7881 6.7881 7.0045 7.0045 7.2751 7.2751 8.3281 8.3281 10.2636 10.2636 11.0318 11.0318 11.3713 11.3713 13.7817 13.7817 13.9889 13.9889 19.0954 19.0954 21.1293 21.1293 k = 0.5735-0.1018-0.9459 ( 2680 PWs) bands (ev): -66.8634 -66.8634 -39.4494 -39.4494 -37.4815 -37.4815 -33.6585 -33.6585 -33.5096 -33.5096 -11.5922 -11.5922 -11.4084 -11.4084 -11.3386 -11.3386 -6.8569 -6.8569 -6.5410 -6.5410 4.8898 4.8898 5.8534 5.8534 6.7654 6.7654 7.0001 7.0001 7.3440 7.3440 8.3443 8.3443 10.2509 10.2509 11.0163 11.0163 11.3634 11.3634 13.7855 13.7855 14.0149 14.0149 19.0334 19.0334 21.1153 21.1153 k = 0.5686-0.0852-0.9459 ( 2678 PWs) bands (ev): -66.8635 -66.8635 -39.4494 -39.4494 -37.4813 -37.4813 -33.6584 -33.6584 -33.5091 -33.5091 -11.5933 -11.5933 -11.4075 -11.4075 -11.3374 -11.3374 -6.8662 -6.8662 -6.5349 -6.5349 4.8546 4.8546 5.8684 5.8684 6.7429 6.7429 6.9937 6.9937 7.4146 7.4146 8.3591 8.3591 10.2361 10.2361 11.0018 11.0018 11.3561 11.3561 13.7888 13.7888 14.0415 14.0415 18.9727 18.9727 21.1010 21.1010 k = 0.5637-0.0685-0.9459 ( 2686 PWs) bands (ev): -66.8635 -66.8635 -39.4495 -39.4495 -37.4811 -37.4811 -33.6583 -33.6583 -33.5086 -33.5086 -11.5943 -11.5943 -11.4067 -11.4067 -11.3364 -11.3364 -6.8752 -6.8752 -6.5291 -6.5291 4.8214 4.8214 5.8838 5.8838 6.7205 6.7205 6.9863 6.9863 7.4852 7.4852 8.3725 8.3725 10.2193 10.2193 10.9881 10.9881 11.3495 11.3495 13.7918 13.7918 14.0683 14.0683 18.9136 18.9136 21.0866 21.0866 k = 0.5588-0.0519-0.9459 ( 2688 PWs) bands (ev): -66.8636 -66.8636 -39.4496 -39.4496 -37.4809 -37.4809 -33.6582 -33.6582 -33.5081 -33.5081 -11.5953 -11.5953 -11.4060 -11.4060 -11.3352 -11.3352 -6.8836 -6.8836 -6.5236 -6.5236 4.7903 4.7903 5.8997 5.8997 6.6983 6.6983 6.9786 6.9786 7.5548 7.5548 8.3846 8.3846 10.2006 10.2006 10.9755 10.9755 11.3437 11.3437 13.7944 13.7944 14.0951 14.0951 18.8565 18.8565 21.0724 21.0724 k = 0.5539-0.0353-0.9459 ( 2684 PWs) bands (ev): -66.8636 -66.8636 -39.4497 -39.4497 -37.4807 -37.4807 -33.6580 -33.6580 -33.5075 -33.5075 -11.5962 -11.5962 -11.4053 -11.4053 -11.3340 -11.3340 -6.8916 -6.8916 -6.5185 -6.5185 4.7613 4.7613 5.9158 5.9158 6.6765 6.6765 6.9711 6.9711 7.6227 7.6227 8.3954 8.3954 10.1804 10.1804 10.9638 10.9638 11.3385 11.3385 13.7966 13.7966 14.1215 14.1215 18.8020 18.8020 21.0585 21.0585 k = 0.5490-0.0187-0.9459 ( 2686 PWs) bands (ev): -66.8637 -66.8637 -39.4498 -39.4498 -37.4805 -37.4805 -33.6580 -33.6580 -33.5071 -33.5071 -11.5971 -11.5971 -11.4048 -11.4048 -11.3329 -11.3329 -6.8990 -6.8990 -6.5137 -6.5137 4.7346 4.7346 5.9321 5.9321 6.6553 6.6553 6.9638 6.9638 7.6882 7.6882 8.4049 8.4049 10.1589 10.1589 10.9532 10.9532 11.3341 11.3341 13.7985 13.7985 14.1472 14.1472 18.7502 18.7502 21.0452 21.0452 k = 0.5441-0.0021-0.9459 ( 2688 PWs) bands (ev): -66.8637 -66.8637 -39.4498 -39.4498 -37.4804 -37.4804 -33.6579 -33.6579 -33.5067 -33.5067 -11.5979 -11.5979 -11.4043 -11.4043 -11.3319 -11.3319 -6.9058 -6.9058 -6.5094 -6.5094 4.7103 4.7103 5.9482 5.9482 6.6346 6.6346 6.9569 6.9569 7.7505 7.7505 8.4133 8.4133 10.1368 10.1368 10.9436 10.9436 11.3304 11.3304 13.8001 13.8001 14.1718 14.1718 18.7018 18.7018 21.0325 21.0325 k = 0.5392 0.0145-0.9459 ( 2692 PWs) bands (ev): -66.8638 -66.8638 -39.4499 -39.4499 -37.4802 -37.4802 -33.6578 -33.6578 -33.5063 -33.5063 -11.5987 -11.5987 -11.4039 -11.4039 -11.3309 -11.3309 -6.9120 -6.9120 -6.5054 -6.5054 4.6883 4.6883 5.9641 5.9641 6.6149 6.6149 6.9506 6.9506 7.8090 7.8090 8.4206 8.4206 10.1144 10.1144 10.9350 10.9350 11.3273 11.3273 13.8014 13.8014 14.1951 14.1951 18.6571 18.6571 21.0208 21.0208 k = 0.5343 0.0311-0.9459 ( 2690 PWs) bands (ev): -66.8638 -66.8638 -39.4500 -39.4500 -37.4801 -37.4801 -33.6578 -33.6578 -33.5059 -33.5059 -11.5993 -11.5993 -11.4036 -11.4036 -11.3300 -11.3300 -6.9175 -6.9175 -6.5018 -6.5018 4.6688 4.6688 5.9793 5.9793 6.5963 6.5963 6.9449 6.9449 7.8630 7.8630 8.4268 8.4268 10.0923 10.0923 10.9275 10.9275 11.3247 11.3247 13.8025 13.8025 14.2166 14.2166 18.6165 18.6165 21.0101 21.0101 k = 0.5294 0.0477-0.9459 ( 2694 PWs) bands (ev): -66.8639 -66.8639 -39.4500 -39.4500 -37.4800 -37.4800 -33.6577 -33.6577 -33.5056 -33.5056 -11.5999 -11.5999 -11.4033 -11.4033 -11.3292 -11.3292 -6.9223 -6.9223 -6.4987 -6.4987 4.6517 4.6517 5.9936 5.9936 6.5791 6.5791 6.9398 6.9398 7.9117 7.9117 8.4322 8.4322 10.0713 10.0713 10.9210 10.9210 11.3227 11.3227 13.8034 13.8034 14.2360 14.2360 18.5805 18.5805 21.0005 21.0005 k = 0.5245 0.0644-0.9459 ( 2690 PWs) bands (ev): -66.8639 -66.8639 -39.4500 -39.4500 -37.4799 -37.4799 -33.6577 -33.6577 -33.5053 -33.5053 -11.6003 -11.6003 -11.4030 -11.4030 -11.3285 -11.3285 -6.9265 -6.9265 -6.4961 -6.4961 4.6373 4.6373 6.0067 6.0067 6.5636 6.5636 6.9354 6.9354 7.9545 7.9545 8.4366 8.4366 10.0520 10.0520 10.9155 10.9155 11.3212 11.3212 13.8041 13.8041 14.2531 14.2531 18.5493 18.5493 20.9923 20.9923 k = 0.5196 0.0810-0.9459 ( 2688 PWs) bands (ev): -66.8639 -66.8639 -39.4501 -39.4501 -37.4798 -37.4798 -33.6576 -33.6576 -33.5051 -33.5051 -11.6007 -11.6007 -11.4028 -11.4028 -11.3278 -11.3278 -6.9299 -6.9299 -6.4939 -6.4939 4.6254 4.6254 6.0182 6.0182 6.5503 6.5503 6.9318 6.9318 7.9907 7.9907 8.4402 8.4402 10.0350 10.0350 10.9111 10.9111 11.3200 11.3200 13.8046 13.8046 14.2675 14.2675 18.5233 18.5233 20.9854 20.9854 k = 0.5147 0.0976-0.9459 ( 2688 PWs) bands (ev): -66.8639 -66.8639 -39.4501 -39.4501 -37.4797 -37.4797 -33.6576 -33.6576 -33.5049 -33.5049 -11.6011 -11.6011 -11.4027 -11.4027 -11.3274 -11.3274 -6.9326 -6.9326 -6.4922 -6.4922 4.6161 4.6161 6.0277 6.0277 6.5393 6.5393 6.9290 6.9290 8.0196 8.0196 8.4430 8.4430 10.0209 10.0209 10.9076 10.9076 11.3192 11.3192 13.8050 13.8050 14.2789 14.2789 18.5027 18.5027 20.9799 20.9799 k = 0.5098 0.1142-0.9459 ( 2686 PWs) bands (ev): -66.8640 -66.8640 -39.4501 -39.4501 -37.4796 -37.4796 -33.6576 -33.6576 -33.5047 -33.5047 -11.6013 -11.6013 -11.4026 -11.4026 -11.3270 -11.3270 -6.9345 -6.9345 -6.4910 -6.4910 4.6095 4.6095 6.0348 6.0348 6.5312 6.5312 6.9270 6.9270 8.0407 8.0407 8.4449 8.4449 10.0105 10.0105 10.9051 10.9051 11.3186 11.3186 13.8053 13.8053 14.2873 14.2873 18.4879 18.4879 20.9760 20.9760 k = 0.5049 0.1308-0.9459 ( 2682 PWs) bands (ev): -66.8640 -66.8640 -39.4501 -39.4501 -37.4796 -37.4796 -33.6575 -33.6575 -33.5047 -33.5047 -11.6014 -11.6014 -11.4025 -11.4025 -11.3268 -11.3268 -6.9356 -6.9356 -6.4902 -6.4902 4.6055 4.6055 6.0392 6.0392 6.5262 6.5262 6.9258 6.9258 8.0536 8.0536 8.4461 8.4461 10.0040 10.0040 10.9037 10.9037 11.3183 11.3183 13.8054 13.8054 14.2924 14.2924 18.4789 18.4789 20.9736 20.9736 k = 0.5000 0.1474-0.9459 ( 2684 PWs) bands (ev): -66.8640 -66.8640 -39.4501 -39.4501 -37.4796 -37.4796 -33.6576 -33.6576 -33.5046 -33.5046 -11.6014 -11.6014 -11.4025 -11.4025 -11.3267 -11.3267 -6.9360 -6.9360 -6.4900 -6.4900 4.6041 4.6041 6.0406 6.0406 6.5245 6.5245 6.9254 6.9254 8.0579 8.0579 8.4465 8.4465 10.0018 10.0018 10.9032 10.9032 11.3182 11.3182 13.8055 13.8055 14.2941 14.2941 18.4759 18.4759 20.9728 20.9728 k = 0.5000 0.1474-0.9459 ( 2684 PWs) bands (ev): -66.8640 -66.8640 -39.4501 -39.4501 -37.4796 -37.4796 -33.6576 -33.6576 -33.5046 -33.5046 -11.6014 -11.6014 -11.4025 -11.4025 -11.3267 -11.3267 -6.9360 -6.9360 -6.4900 -6.4900 4.6041 4.6041 6.0406 6.0406 6.5245 6.5245 6.9254 6.9254 8.0579 8.0579 8.4465 8.4465 10.0018 10.0018 10.9032 10.9032 11.3182 11.3182 13.8055 13.8055 14.2941 14.2941 18.4759 18.4759 20.9728 20.9728 k = 0.5142 0.1516-0.9377 ( 2682 PWs) bands (ev): -66.8640 -66.8640 -39.4501 -39.4501 -37.4796 -37.4796 -33.6575 -33.6575 -33.5046 -33.5046 -11.6014 -11.6014 -11.4025 -11.4025 -11.3267 -11.3267 -6.9359 -6.9359 -6.4901 -6.4901 4.6047 4.6047 6.0407 6.0407 6.5232 6.5232 6.9262 6.9262 8.0579 8.0579 8.4460 8.4460 10.0024 10.0024 10.9032 10.9032 11.3182 11.3182 13.8046 13.8046 14.2939 14.2939 18.4783 18.4783 20.9711 20.9711 k = 0.5285 0.1558-0.9295 ( 2684 PWs) bands (ev): -66.8640 -66.8640 -39.4501 -39.4501 -37.4796 -37.4796 -33.6575 -33.6575 -33.5046 -33.5046 -11.6014 -11.6014 -11.4025 -11.4025 -11.3267 -11.3267 -6.9357 -6.9357 -6.4905 -6.4905 4.6065 4.6065 6.0406 6.0406 6.5194 6.5194 6.9286 6.9286 8.0578 8.0578 8.4446 8.4446 10.0040 10.0040 10.9034 10.9034 11.3182 11.3182 13.8017 13.8017 14.2936 14.2936 18.4855 18.4855 20.9660 20.9660 k = 0.5427 0.1600-0.9213 ( 2685 PWs) bands (ev): -66.8640 -66.8640 -39.4501 -39.4501 -37.4796 -37.4796 -33.6575 -33.6575 -33.5046 -33.5046 -11.6014 -11.6014 -11.4025 -11.4025 -11.3268 -11.3268 -6.9354 -6.9354 -6.4911 -6.4911 4.6093 4.6093 6.0406 6.0406 6.5133 6.5133 6.9326 6.9326 8.0576 8.0576 8.4422 8.4422 10.0067 10.0067 10.9037 10.9037 11.3182 11.3182 13.7971 13.7971 14.2930 14.2930 18.4974 18.4974 20.9577 20.9577 k = 0.5570 0.1642-0.9131 ( 2685 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4796 -37.4796 -33.6574 -33.6574 -33.5046 -33.5046 -11.6014 -11.6014 -11.4026 -11.4026 -11.3268 -11.3268 -6.9348 -6.9348 -6.4919 -6.4919 4.6133 4.6133 6.0405 6.0405 6.5050 6.5050 6.9378 6.9378 8.0574 8.0574 8.4389 8.4389 10.0105 10.0105 10.9041 10.9041 11.3183 11.3183 13.7907 13.7907 14.2923 14.2923 18.5140 18.5140 20.9464 20.9464 k = 0.5712 0.1684-0.9050 ( 2687 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6573 -33.6573 -33.5046 -33.5046 -11.6013 -11.6013 -11.4026 -11.4026 -11.3268 -11.3268 -6.9342 -6.9342 -6.4930 -6.4930 4.6185 4.6185 6.0404 6.0404 6.4948 6.4948 6.9440 6.9440 8.0570 8.0570 8.4347 8.4347 10.0153 10.0153 10.9046 10.9046 11.3184 11.3184 13.7826 13.7826 14.2913 14.2913 18.5350 18.5350 20.9325 20.9325 k = 0.5855 0.1726-0.8968 ( 2691 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6573 -33.6573 -33.5047 -33.5047 -11.6013 -11.6013 -11.4026 -11.4026 -11.3269 -11.3269 -6.9334 -6.9334 -6.4943 -6.4943 4.6246 4.6246 6.0403 6.0403 6.4830 6.4830 6.9509 6.9509 8.0566 8.0566 8.4298 8.4298 10.0210 10.0210 10.9053 10.9053 11.3185 11.3185 13.7729 13.7729 14.2900 14.2900 18.5602 18.5602 20.9163 20.9163 k = 0.5997 0.1768-0.8886 ( 2693 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6572 -33.6572 -33.5047 -33.5047 -11.6013 -11.6013 -11.4027 -11.4027 -11.3269 -11.3269 -6.9325 -6.9325 -6.4958 -6.4958 4.6319 4.6319 6.0401 6.0401 6.4698 6.4698 6.9583 6.9583 8.0562 8.0562 8.4240 8.4240 10.0277 10.0277 10.9060 10.9060 11.3188 11.3188 13.7619 13.7619 14.2886 14.2886 18.5895 18.5895 20.8983 20.8983 k = 0.6140 0.1810-0.8804 ( 2697 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4794 -37.4794 -33.6570 -33.6570 -33.5047 -33.5047 -11.6012 -11.6012 -11.4027 -11.4027 -11.3270 -11.3270 -6.9315 -6.9315 -6.4976 -6.4976 4.6402 4.6402 6.0400 6.0400 6.4556 6.4556 6.9659 6.9659 8.0556 8.0556 8.4175 8.4175 10.0353 10.0353 10.9069 10.9069 11.3191 11.3191 13.7495 13.7495 14.2870 14.2870 18.6227 18.6227 20.8790 20.8790 k = 0.6282 0.1852-0.8722 ( 2695 PWs) bands (ev): -66.8640 -66.8640 -39.4503 -39.4503 -37.4794 -37.4794 -33.6569 -33.6569 -33.5046 -33.5046 -11.6012 -11.6012 -11.4027 -11.4027 -11.3270 -11.3270 -6.9303 -6.9303 -6.4996 -6.4996 4.6495 4.6495 6.0398 6.0398 6.4406 6.4406 6.9735 6.9735 8.0550 8.0550 8.4104 8.4104 10.0437 10.0437 10.9080 10.9080 11.3196 11.3196 13.7361 13.7361 14.2852 14.2852 18.6592 18.6592 20.8587 20.8587 k = 0.6425 0.1894-0.8640 ( 2693 PWs) bands (ev): -66.8641 -66.8641 -39.4503 -39.4503 -37.4793 -37.4793 -33.6567 -33.6567 -33.5046 -33.5046 -11.6011 -11.6011 -11.4028 -11.4028 -11.3271 -11.3271 -6.9291 -6.9291 -6.5017 -6.5017 4.6597 4.6597 6.0396 6.0396 6.4249 6.4249 6.9809 6.9809 8.0542 8.0542 8.4026 8.4026 10.0528 10.0528 10.9091 10.9091 11.3202 11.3202 13.7217 13.7217 14.2833 14.2833 18.6990 18.6990 20.8380 20.8380 k = 0.6567 0.1936-0.8558 ( 2691 PWs) bands (ev): -66.8641 -66.8641 -39.4503 -39.4503 -37.4792 -37.4792 -33.6566 -33.6566 -33.5046 -33.5046 -11.6009 -11.6009 -11.4028 -11.4028 -11.3271 -11.3271 -6.9277 -6.9277 -6.5041 -6.5041 4.6709 4.6709 6.0394 6.0394 6.4088 6.4088 6.9878 6.9878 8.0534 8.0534 8.3944 8.3944 10.0626 10.0626 10.9104 10.9104 11.3210 11.3210 13.7066 13.7066 14.2812 14.2812 18.7416 18.7416 20.8172 20.8172 k = 0.6567 0.1936-0.8558 ( 2691 PWs) bands (ev): -66.8641 -66.8641 -39.4503 -39.4503 -37.4792 -37.4792 -33.6566 -33.6566 -33.5046 -33.5046 -11.6009 -11.6009 -11.4028 -11.4028 -11.3271 -11.3271 -6.9277 -6.9277 -6.5041 -6.5041 4.6709 4.6709 6.0394 6.0394 6.4088 6.4088 6.9878 6.9878 8.0534 8.0534 8.3944 8.3944 10.0626 10.0626 10.9104 10.9104 11.3210 11.3210 13.7066 13.7066 14.2812 14.2812 18.7416 18.7416 20.8172 20.8172 k = 0.6539 0.1928-0.8390 ( 2694 PWs) bands (ev): -66.8641 -66.8641 -39.4504 -39.4504 -37.4790 -37.4790 -33.6559 -33.6559 -33.5046 -33.5046 -11.6001 -11.6001 -11.4027 -11.4027 -11.3273 -11.3273 -6.9290 -6.9290 -6.5067 -6.5067 4.6812 4.6812 6.0397 6.0397 6.3710 6.3710 7.0156 7.0156 8.0479 8.0479 8.4038 8.4038 10.0669 10.0669 10.9149 10.9149 11.3223 11.3223 13.6859 13.6859 14.2777 14.2777 18.7363 18.7363 20.8365 20.8365 k = 0.6511 0.1920-0.8221 ( 2691 PWs) bands (ev): -66.8642 -66.8642 -39.4505 -39.4505 -37.4786 -37.4786 -33.6551 -33.6551 -33.5046 -33.5046 -11.5990 -11.5990 -11.4026 -11.4026 -11.3274 -11.3274 -6.9302 -6.9302 -6.5103 -6.5103 4.6945 4.6945 6.0402 6.0402 6.3323 6.3323 7.0411 7.0411 8.0412 8.0412 8.4136 8.4136 10.0733 10.0733 10.9205 10.9205 11.3244 11.3244 13.6629 13.6629 14.2735 14.2735 18.7279 18.7279 20.8543 20.8543 k = 0.6483 0.1911-0.8052 ( 2688 PWs) bands (ev): -66.8643 -66.8643 -39.4506 -39.4506 -37.4782 -37.4782 -33.6541 -33.6541 -33.5046 -33.5046 -11.5977 -11.5977 -11.4025 -11.4025 -11.3276 -11.3276 -6.9314 -6.9314 -6.5149 -6.5149 4.7106 4.7106 6.0406 6.0406 6.2936 6.2936 7.0634 7.0634 8.0334 8.0334 8.4242 8.4242 10.0816 10.0816 10.9269 10.9269 11.3272 11.3272 13.6378 13.6378 14.2686 14.2686 18.7165 18.7165 20.8677 20.8677 k = 0.6455 0.1903-0.7883 ( 2684 PWs) bands (ev): -66.8645 -66.8645 -39.4508 -39.4508 -37.4778 -37.4778 -33.6530 -33.6530 -33.5046 -33.5046 -11.5962 -11.5962 -11.4024 -11.4024 -11.3277 -11.3277 -6.9326 -6.9326 -6.5205 -6.5205 4.7294 4.7294 6.0410 6.0410 6.2551 6.2551 7.0822 7.0822 8.0247 8.0247 8.4358 8.4358 10.0917 10.0917 10.9342 10.9342 11.3308 11.3308 13.6108 13.6108 14.2630 14.2630 18.7026 18.7026 20.8739 20.8739 k = 0.6427 0.1895-0.7714 ( 2680 PWs) bands (ev): -66.8646 -66.8646 -39.4510 -39.4510 -37.4772 -37.4772 -33.6517 -33.6517 -33.5046 -33.5046 -11.5945 -11.5945 -11.4023 -11.4023 -11.3279 -11.3279 -6.9339 -6.9339 -6.5269 -6.5269 4.7507 4.7507 6.0413 6.0413 6.2175 6.2175 7.0968 7.0968 8.0151 8.0151 8.4488 8.4488 10.1032 10.1032 10.9421 10.9421 11.3352 11.3352 13.5820 13.5820 14.2569 14.2569 18.6864 18.6864 20.8701 20.8701 k = 0.6399 0.1887-0.7545 ( 2685 PWs) bands (ev): -66.8647 -66.8647 -39.4512 -39.4512 -37.4767 -37.4767 -33.6503 -33.6503 -33.5046 -33.5046 -11.5927 -11.5927 -11.4022 -11.4022 -11.3282 -11.3282 -6.9353 -6.9353 -6.5340 -6.5340 4.7743 4.7743 6.0414 6.0414 6.1811 6.1811 7.1071 7.1071 8.0050 8.0050 8.4635 8.4635 10.1159 10.1159 10.9505 10.9505 11.3404 11.3404 13.5517 13.5517 14.2503 14.2503 18.6685 18.6685 20.8546 20.8546 k = 0.6371 0.1878-0.7376 ( 2682 PWs) bands (ev): -66.8649 -66.8649 -39.4514 -39.4514 -37.4761 -37.4761 -33.6488 -33.6488 -33.5046 -33.5046 -11.5908 -11.5908 -11.4020 -11.4020 -11.3283 -11.3283 -6.9370 -6.9370 -6.5418 -6.5418 4.8000 4.8000 6.0414 6.0414 6.1463 6.1463 7.1129 7.1129 7.9944 7.9944 8.4800 8.4800 10.1294 10.1294 10.9593 10.9593 11.3464 11.3464 13.5201 13.5201 14.2432 14.2432 18.6489 18.6489 20.8273 20.8273 k = 0.6343 0.1870-0.7207 ( 2677 PWs) bands (ev): -66.8651 -66.8651 -39.4516 -39.4516 -37.4754 -37.4754 -33.6471 -33.6471 -33.5045 -33.5045 -11.5886 -11.5886 -11.4018 -11.4018 -11.3285 -11.3285 -6.9390 -6.9390 -6.5500 -6.5500 4.8274 4.8274 6.0410 6.0410 6.1135 6.1135 7.1140 7.1140 7.9835 7.9835 8.4984 8.4984 10.1436 10.1436 10.9684 10.9684 11.3533 11.3533 13.4875 13.4875 14.2358 14.2358 18.6279 18.6279 20.7890 20.7890 k = 0.6315 0.1862-0.7038 ( 2676 PWs) bands (ev): -66.8653 -66.8653 -39.4519 -39.4519 -37.4746 -37.4746 -33.6452 -33.6452 -33.5045 -33.5045 -11.5864 -11.5864 -11.4016 -11.4016 -11.3287 -11.3287 -6.9415 -6.9415 -6.5585 -6.5585 4.8562 4.8562 6.0403 6.0403 6.0831 6.0831 7.1105 7.1105 7.9727 7.9727 8.5187 8.5187 10.1580 10.1580 10.9775 10.9775 11.3610 11.3610 13.4541 13.4541 14.2280 14.2280 18.6058 18.6058 20.7411 20.7411 k = 0.6287 0.1854-0.6869 ( 2684 PWs) bands (ev): -66.8655 -66.8655 -39.4522 -39.4522 -37.4739 -37.4739 -33.6433 -33.6433 -33.5045 -33.5045 -11.5840 -11.5840 -11.4015 -11.4015 -11.3289 -11.3289 -6.9446 -6.9446 -6.5672 -6.5672 4.8860 4.8860 6.0389 6.0389 6.0556 6.0556 7.1028 7.1028 7.9621 7.9621 8.5406 8.5406 10.1725 10.1725 10.9865 10.9865 11.3696 11.3696 13.4203 13.4203 14.2201 14.2201 18.5826 18.5826 20.6850 20.6850 k = 0.6259 0.1845-0.6700 ( 2682 PWs) bands (ev): -66.8657 -66.8657 -39.4525 -39.4525 -37.4730 -37.4730 -33.6412 -33.6412 -33.5045 -33.5045 -11.5816 -11.5816 -11.4012 -11.4012 -11.3290 -11.3290 -6.9484 -6.9484 -6.5758 -6.5758 4.9164 4.9164 6.0302 6.0302 6.0381 6.0381 7.0911 7.0911 7.9519 7.9519 8.5639 8.5639 10.1868 10.1868 10.9952 10.9952 11.3791 11.3791 13.3864 13.3864 14.2121 14.2121 18.5585 18.5585 20.6222 20.6222 k = 0.6231 0.1837-0.6532 ( 2684 PWs) bands (ev): -66.8659 -66.8659 -39.4528 -39.4528 -37.4722 -37.4722 -33.6390 -33.6390 -33.5045 -33.5045 -11.5790 -11.5790 -11.4010 -11.4010 -11.3291 -11.3291 -6.9530 -6.9530 -6.5843 -6.5843 4.9468 4.9468 6.0096 6.0096 6.0354 6.0354 7.0760 7.0760 7.9424 7.9424 8.5882 8.5882 10.2007 10.2007 11.0035 11.0035 11.3894 11.3894 13.3528 13.3528 14.2041 14.2041 18.5336 18.5336 20.5534 20.5534 k = 0.6203 0.1829-0.6363 ( 2688 PWs) bands (ev): -66.8662 -66.8662 -39.4531 -39.4531 -37.4713 -37.4713 -33.6368 -33.6368 -33.5045 -33.5045 -11.5765 -11.5765 -11.4008 -11.4008 -11.3292 -11.3292 -6.9586 -6.9586 -6.5924 -6.5924 4.9768 4.9768 5.9926 5.9926 6.0324 6.0324 7.0580 7.0580 7.9337 7.9337 8.6131 8.6131 10.2142 10.2142 11.0111 11.0111 11.4006 11.4006 13.3197 13.3197 14.1962 14.1962 18.5080 18.5080 20.4796 20.4796 k = 0.6175 0.1821-0.6194 ( 2688 PWs) bands (ev): -66.8665 -66.8665 -39.4535 -39.4535 -37.4703 -37.4703 -33.6344 -33.6344 -33.5045 -33.5045 -11.5738 -11.5738 -11.4005 -11.4005 -11.3291 -11.3291 -6.9653 -6.9653 -6.6000 -6.6000 5.0058 5.0058 5.9799 5.9799 6.0286 6.0286 7.0376 7.0376 7.9262 7.9262 8.6380 8.6380 10.2270 10.2270 11.0178 11.0178 11.4125 11.4125 13.2877 13.2877 14.1885 14.1885 18.4816 18.4816 20.4013 20.4013 k = 0.6147 0.1812-0.6025 ( 2688 PWs) bands (ev): -66.8667 -66.8667 -39.4538 -39.4538 -37.4693 -37.4693 -33.6319 -33.6319 -33.5045 -33.5045 -11.5711 -11.5711 -11.4001 -11.4001 -11.3290 -11.3290 -6.9732 -6.9732 -6.6069 -6.6069 5.0332 5.0332 5.9717 5.9717 6.0242 6.0242 7.0156 7.0156 7.9199 7.9199 8.6625 8.6625 10.2390 10.2390 11.0235 11.0235 11.4253 11.4253 13.2570 13.2570 14.1811 14.1811 18.4545 18.4545 20.3191 20.3191 k = 0.6119 0.1804-0.5856 ( 2694 PWs) bands (ev): -66.8670 -66.8670 -39.4542 -39.4542 -37.4683 -37.4683 -33.6293 -33.6293 -33.5044 -33.5044 -11.5685 -11.5685 -11.3998 -11.3998 -11.3290 -11.3290 -6.9823 -6.9823 -6.6130 -6.6130 5.0585 5.0585 5.9680 5.9680 6.0190 6.0190 6.9926 6.9926 7.9151 7.9151 8.6859 8.6859 10.2501 10.2501 11.0279 11.0279 11.4387 11.4387 13.2281 13.2281 14.1741 14.1741 18.4267 18.4267 20.2334 20.2334 k = 0.6091 0.1796-0.5687 ( 2692 PWs) bands (ev): -66.8673 -66.8673 -39.4546 -39.4546 -37.4672 -37.4672 -33.6266 -33.6266 -33.5044 -33.5044 -11.5658 -11.5658 -11.3994 -11.3994 -11.3287 -11.3287 -6.9927 -6.9927 -6.6182 -6.6182 5.0813 5.0813 5.9687 5.9687 6.0133 6.0133 6.9695 6.9695 7.9120 7.9120 8.7078 8.7078 10.2604 10.2604 11.0309 11.0309 11.4529 11.4529 13.2013 13.2013 14.1676 14.1676 18.3981 18.3981 20.1446 20.1446 k = 0.6063 0.1788-0.5518 ( 2688 PWs) bands (ev): -66.8676 -66.8676 -39.4550 -39.4550 -37.4661 -37.4661 -33.6238 -33.6238 -33.5044 -33.5044 -11.5632 -11.5632 -11.3988 -11.3988 -11.3284 -11.3284 -7.0044 -7.0044 -6.6224 -6.6224 5.1013 5.1013 5.9727 5.9727 6.0079 6.0079 6.9472 6.9472 7.9108 7.9108 8.7276 8.7276 10.2698 10.2698 11.0324 11.0324 11.4676 11.4676 13.1771 13.1771 14.1617 14.1617 18.3688 18.3688 20.0531 20.0531 k = 0.6035 0.1779-0.5349 ( 2692 PWs) bands (ev): -66.8679 -66.8679 -39.4554 -39.4554 -37.4650 -37.4650 -33.6210 -33.6210 -33.5043 -33.5043 -11.5606 -11.5606 -11.3983 -11.3983 -11.3280 -11.3280 -7.0174 -7.0174 -6.6257 -6.6257 5.1183 5.1183 5.9767 5.9767 6.0054 6.0054 6.9267 6.9267 7.9115 7.9115 8.7449 8.7449 10.2783 10.2783 11.0321 11.0321 11.4828 11.4828 13.1559 13.1559 14.1564 14.1564 18.3388 18.3388 19.9590 19.9590 k = 0.6007 0.1771-0.5180 ( 2694 PWs) bands (ev): -66.8682 -66.8682 -39.4558 -39.4558 -37.4639 -37.4639 -33.6181 -33.6181 -33.5043 -33.5043 -11.5582 -11.5582 -11.3977 -11.3977 -11.3276 -11.3276 -7.0317 -7.0317 -6.6279 -6.6279 5.1324 5.1324 5.9747 5.9747 6.0107 6.0107 6.9091 6.9091 7.9144 7.9144 8.7593 8.7593 10.2859 10.2859 11.0299 11.0299 11.4985 11.4985 13.1379 13.1379 14.1519 14.1519 18.3079 18.3079 19.8629 19.8629 k = 0.5980 0.1763-0.5011 ( 2690 PWs) bands (ev): -66.8685 -66.8685 -39.4562 -39.4562 -37.4627 -37.4627 -33.6152 -33.6152 -33.5043 -33.5043 -11.5558 -11.5558 -11.3970 -11.3970 -11.3270 -11.3270 -7.0471 -7.0471 -6.6293 -6.6293 5.1439 5.1439 5.9668 5.9668 6.0227 6.0227 6.8957 6.8957 7.9194 7.9194 8.7703 8.7703 10.2926 10.2926 11.0257 11.0257 11.5144 11.5144 13.1235 13.1235 14.1483 14.1483 18.2762 18.2762 19.7650 19.7650 k = 0.5952 0.1755-0.4842 ( 2686 PWs) bands (ev): -66.8688 -66.8688 -39.4566 -39.4566 -37.4615 -37.4615 -33.6122 -33.6122 -33.5042 -33.5042 -11.5535 -11.5535 -11.3961 -11.3961 -11.3264 -11.3264 -7.0635 -7.0635 -6.6298 -6.6298 5.1530 5.1530 5.9559 5.9559 6.0368 6.0368 6.8878 6.8878 7.9267 7.9267 8.7776 8.7776 10.2986 10.2986 11.0193 11.0193 11.5304 11.5304 13.1131 13.1131 14.1455 14.1455 18.2436 18.2436 19.6655 19.6655 k = 0.5924 0.1746-0.4674 ( 2688 PWs) bands (ev): -66.8691 -66.8691 -39.4571 -39.4571 -37.4603 -37.4603 -33.6092 -33.6092 -33.5042 -33.5042 -11.5514 -11.5514 -11.3952 -11.3952 -11.3257 -11.3257 -7.0808 -7.0808 -6.6294 -6.6294 5.1602 5.1602 5.9434 5.9434 6.0502 6.0502 6.8868 6.8868 7.9364 7.9364 8.7809 8.7809 10.3037 10.3037 11.0107 11.0107 11.5463 11.5463 13.1069 13.1069 14.1436 14.1436 18.2100 18.2100 19.5648 19.5648 k = 0.5896 0.1738-0.4505 ( 2684 PWs) bands (ev): -66.8695 -66.8695 -39.4575 -39.4575 -37.4591 -37.4591 -33.6061 -33.6061 -33.5041 -33.5041 -11.5495 -11.5495 -11.3942 -11.3942 -11.3248 -11.3248 -7.0990 -7.0990 -6.6284 -6.6284 5.1660 5.1660 5.9295 5.9295 6.0610 6.0610 6.8940 6.8940 7.9484 7.9484 8.7800 8.7800 10.3081 10.3081 10.9998 10.9998 11.5620 11.5620 13.1053 13.1053 14.1428 14.1428 18.1755 18.1755 19.4632 19.4632 k = 0.5868 0.1730-0.4336 ( 2680 PWs) bands (ev): -66.8698 -66.8698 -39.4579 -39.4579 -37.4579 -37.4579 -33.6030 -33.6030 -33.5041 -33.5041 -11.5477 -11.5477 -11.3930 -11.3930 -11.3239 -11.3239 -7.1177 -7.1177 -6.6266 -6.6266 5.1708 5.1708 5.9145 5.9145 6.0675 6.0675 6.9104 6.9104 7.9628 7.9628 8.7749 8.7749 10.3117 10.3117 10.9865 10.9865 11.5773 11.5773 13.1083 13.1083 14.1429 14.1429 18.1400 18.1400 19.3609 19.3609 k = 0.5840 0.1722-0.4167 ( 2684 PWs) bands (ev): -66.8701 -66.8701 -39.4584 -39.4584 -37.4567 -37.4567 -33.5999 -33.5999 -33.5040 -33.5040 -11.5461 -11.5461 -11.3918 -11.3918 -11.3229 -11.3229 -7.1370 -7.1370 -6.6244 -6.6244 5.1749 5.1749 5.8985 5.8985 6.0689 6.0689 6.9365 6.9365 7.9795 7.9795 8.7653 8.7653 10.3147 10.3147 10.9708 10.9708 11.5919 11.5919 13.1161 13.1161 14.1440 14.1440 18.1035 18.1035 19.2583 19.2583 k = 0.5812 0.1713-0.3998 ( 2686 PWs) bands (ev): -66.8704 -66.8704 -39.4588 -39.4588 -37.4555 -37.4555 -33.5968 -33.5968 -33.5039 -33.5039 -11.5448 -11.5448 -11.3905 -11.3905 -11.3218 -11.3218 -7.1567 -7.1567 -6.6217 -6.6217 5.1789 5.1789 5.8817 5.8817 6.0649 6.0649 6.9722 6.9722 7.9986 7.9986 8.7515 8.7515 10.3169 10.3169 10.9527 10.9527 11.6058 11.6058 13.1289 13.1289 14.1461 14.1461 18.0660 18.0660 19.1556 19.1556 k = 0.5784 0.1705-0.3829 ( 2687 PWs) bands (ev): -66.8708 -66.8708 -39.4593 -39.4593 -37.4543 -37.4543 -33.5938 -33.5938 -33.5039 -33.5039 -11.5436 -11.5436 -11.3890 -11.3890 -11.3206 -11.3206 -7.1767 -7.1767 -6.6185 -6.6185 5.1830 5.1830 5.8641 5.8641 6.0557 6.0557 7.0169 7.0169 8.0200 8.0200 8.7333 8.7333 10.3184 10.3184 10.9322 10.9322 11.6186 11.6186 13.1466 13.1466 14.1492 14.1492 18.0274 18.0274 19.0532 19.0532 k = 0.5756 0.1697-0.3660 ( 2687 PWs) bands (ev): -66.8711 -66.8711 -39.4597 -39.4597 -37.4531 -37.4531 -33.5907 -33.5907 -33.5038 -33.5038 -11.5427 -11.5427 -11.3875 -11.3875 -11.3193 -11.3193 -7.1968 -7.1968 -6.6151 -6.6151 5.1874 5.1874 5.8459 5.8459 6.0418 6.0418 7.0698 7.0698 8.0436 8.0436 8.7111 8.7111 10.3192 10.3192 10.9093 10.9093 11.6303 11.6303 13.1692 13.1692 14.1532 14.1532 17.9877 17.9877 18.9512 18.9512 k = 0.5728 0.1689-0.3491 ( 2689 PWs) bands (ev): -66.8714 -66.8714 -39.4601 -39.4601 -37.4519 -37.4519 -33.5877 -33.5877 -33.5037 -33.5037 -11.5419 -11.5419 -11.3859 -11.3859 -11.3179 -11.3179 -7.2170 -7.2170 -6.6113 -6.6113 5.1924 5.1924 5.8273 5.8273 6.0241 6.0241 7.1298 7.1298 8.0694 8.0694 8.6850 8.6850 10.3192 10.3192 10.8841 10.8841 11.6408 11.6408 13.1965 13.1965 14.1582 14.1582 17.9471 17.9471 18.8501 18.8501 k = 0.5700 0.1680-0.3322 ( 2691 PWs) bands (ev): -66.8717 -66.8717 -39.4606 -39.4606 -37.4508 -37.4508 -33.5847 -33.5847 -33.5037 -33.5037 -11.5414 -11.5414 -11.3842 -11.3842 -11.3164 -11.3164 -7.2371 -7.2371 -6.6074 -6.6074 5.1981 5.1981 5.8082 5.8082 6.0034 6.0034 7.1958 7.1958 8.0972 8.0972 8.6553 8.6553 10.3184 10.3184 10.8566 10.8566 11.6499 11.6499 13.2286 13.2286 14.1641 14.1641 17.9053 17.9053 18.7500 18.7500 k = 0.5672 0.1672-0.3153 ( 2690 PWs) bands (ev): -66.8721 -66.8721 -39.4610 -39.4610 -37.4496 -37.4496 -33.5817 -33.5817 -33.5036 -33.5036 -11.5410 -11.5410 -11.3825 -11.3825 -11.3149 -11.3149 -7.2570 -7.2570 -6.6034 -6.6034 5.2047 5.2047 5.7889 5.7889 5.9803 5.9803 7.2668 7.2668 8.1270 8.1270 8.6223 8.6223 10.3168 10.3168 10.8270 10.8270 11.6575 11.6575 13.2649 13.2649 14.1707 14.1707 17.8626 17.8626 18.6512 18.6512 k = 0.5644 0.1664-0.2984 ( 2687 PWs) bands (ev): -66.8724 -66.8724 -39.4614 -39.4614 -37.4484 -37.4484 -33.5788 -33.5788 -33.5035 -33.5035 -11.5408 -11.5408 -11.3807 -11.3807 -11.3132 -11.3132 -7.2768 -7.2768 -6.5992 -6.5992 5.2123 5.2123 5.7694 5.7694 5.9556 5.9556 7.3419 7.3419 8.1586 8.1586 8.5864 8.5864 10.3142 10.3142 10.7952 10.7952 11.6637 11.6637 13.3055 13.3055 14.1781 14.1781 17.8189 17.8189 18.5541 18.5541 k = 0.5616 0.1656-0.2816 ( 2683 PWs) bands (ev): -66.8727 -66.8727 -39.4618 -39.4618 -37.4473 -37.4473 -33.5760 -33.5760 -33.5033 -33.5033 -11.5408 -11.5408 -11.3788 -11.3788 -11.3115 -11.3115 -7.2962 -7.2962 -6.5950 -6.5950 5.2209 5.2209 5.7499 5.7499 5.9299 5.9299 7.4203 7.4203 8.1920 8.1920 8.5479 8.5479 10.3106 10.3106 10.7615 10.7615 11.6684 11.6684 13.3497 13.3497 14.1861 14.1861 17.7742 17.7742 18.4588 18.4588 k = 0.5588 0.1647-0.2647 ( 2687 PWs) bands (ev): -66.8730 -66.8730 -39.4622 -39.4622 -37.4462 -37.4462 -33.5732 -33.5732 -33.5032 -33.5032 -11.5410 -11.5410 -11.3770 -11.3770 -11.3097 -11.3097 -7.3152 -7.3152 -6.5908 -6.5908 5.2306 5.2306 5.7305 5.7305 5.9036 5.9036 7.5011 7.5011 8.2269 8.2269 8.5074 8.5074 10.3059 10.3059 10.7259 10.7259 11.6716 11.6716 13.3975 13.3975 14.1948 14.1948 17.7286 17.7286 18.3658 18.3658 k = 0.5560 0.1639-0.2478 ( 2685 PWs) bands (ev): -66.8733 -66.8733 -39.4626 -39.4626 -37.4452 -37.4452 -33.5705 -33.5705 -33.5031 -33.5031 -11.5412 -11.5412 -11.3752 -11.3752 -11.3078 -11.3078 -7.3338 -7.3338 -6.5866 -6.5866 5.2412 5.2412 5.7112 5.7112 5.8771 5.8771 7.5836 7.5836 8.2631 8.2631 8.4656 8.4656 10.3000 10.3000 10.6886 10.6886 11.6734 11.6734 13.4482 13.4482 14.2039 14.2039 17.6822 17.6822 18.2751 18.2751 k = 0.5532 0.1631-0.2309 ( 2687 PWs) bands (ev): -66.8735 -66.8735 -39.4630 -39.4630 -37.4442 -37.4442 -33.5679 -33.5679 -33.5030 -33.5030 -11.5416 -11.5416 -11.3735 -11.3735 -11.3060 -11.3060 -7.3518 -7.3518 -6.5824 -6.5824 5.2529 5.2529 5.6923 5.6923 5.8508 5.8508 7.6672 7.6672 8.3000 8.3000 8.4234 8.4234 10.2929 10.2929 10.6497 10.6497 11.6737 11.6737 13.5015 13.5015 14.2134 14.2134 17.6350 17.6350 18.1872 18.1872 k = 0.5504 0.1623-0.2140 ( 2685 PWs) bands (ev): -66.8738 -66.8738 -39.4633 -39.4633 -37.4432 -37.4432 -33.5654 -33.5654 -33.5029 -33.5029 -11.5421 -11.5421 -11.3717 -11.3717 -11.3040 -11.3040 -7.3692 -7.3692 -6.5784 -6.5784 5.2655 5.2655 5.6738 5.6738 5.8248 5.8248 7.7508 7.7508 8.3344 8.3344 8.3849 8.3849 10.2845 10.2845 10.6094 10.6094 11.6728 11.6728 13.5570 13.5570 14.2232 14.2232 17.5872 17.5872 18.1023 18.1023 k = 0.5476 0.1614-0.1971 ( 2689 PWs) bands (ev): -66.8741 -66.8741 -39.4637 -39.4637 -37.4422 -37.4422 -33.5630 -33.5630 -33.5028 -33.5028 -11.5427 -11.5427 -11.3701 -11.3701 -11.3021 -11.3021 -7.3860 -7.3860 -6.5744 -6.5744 5.2790 5.2790 5.6557 5.6557 5.7995 5.7995 7.8333 7.8333 8.3286 8.3286 8.3885 8.3885 10.2746 10.2746 10.5679 10.5679 11.6707 11.6707 13.6142 13.6142 14.2332 14.2332 17.5388 17.5388 18.0206 18.0206 k = 0.5448 0.1606-0.1802 ( 2687 PWs) bands (ev): -66.8743 -66.8743 -39.4640 -39.4640 -37.4413 -37.4413 -33.5607 -33.5607 -33.5026 -33.5026 -11.5433 -11.5433 -11.3684 -11.3684 -11.3002 -11.3002 -7.4021 -7.4021 -6.5706 -6.5706 5.2932 5.2932 5.6384 5.6384 5.7750 5.7750 7.9124 7.9124 8.2929 8.2929 8.4261 8.4261 10.2632 10.2632 10.5253 10.5253 11.6675 11.6675 13.6725 13.6725 14.2434 14.2434 17.4900 17.4900 17.9424 17.9424 k = 0.5420 0.1598-0.1633 ( 2687 PWs) bands (ev): -66.8746 -66.8746 -39.4643 -39.4643 -37.4404 -37.4404 -33.5585 -33.5585 -33.5025 -33.5025 -11.5440 -11.5440 -11.3669 -11.3669 -11.2982 -11.2982 -7.4175 -7.4175 -6.5669 -6.5669 5.3081 5.3081 5.6216 5.6216 5.7514 5.7514 7.9832 7.9832 8.2627 8.2627 8.4672 8.4672 10.2504 10.2504 10.4820 10.4820 11.6633 11.6633 13.7316 13.7316 14.2536 14.2536 17.4410 17.4410 17.8680 17.8680 k = 0.5392 0.1590-0.1464 ( 2685 PWs) bands (ev): -66.8748 -66.8748 -39.4646 -39.4646 -37.4396 -37.4396 -33.5564 -33.5564 -33.5023 -33.5023 -11.5447 -11.5447 -11.3654 -11.3654 -11.2963 -11.2963 -7.4320 -7.4320 -6.5634 -6.5634 5.3234 5.3234 5.6057 5.6057 5.7289 5.7289 8.0336 8.0336 8.2521 8.2521 8.5093 8.5093 10.2359 10.2359 10.4380 10.4380 11.6583 11.6583 13.7909 13.7909 14.2637 14.2637 17.3920 17.3920 17.7975 17.7975 k = 0.5364 0.1581-0.1295 ( 2683 PWs) bands (ev): -66.8750 -66.8750 -39.4649 -39.4649 -37.4388 -37.4388 -33.5544 -33.5544 -33.5022 -33.5022 -11.5454 -11.5454 -11.3640 -11.3640 -11.2944 -11.2944 -7.4457 -7.4457 -6.5601 -6.5601 5.3390 5.3390 5.5906 5.5906 5.7077 5.7077 8.0474 8.0474 8.2776 8.2776 8.5519 8.5519 10.2198 10.2198 10.3937 10.3937 11.6527 11.6527 13.8498 13.8498 14.2738 14.2738 17.3433 17.3433 17.7312 17.7312 k = 0.5336 0.1573-0.1126 ( 2687 PWs) bands (ev): -66.8752 -66.8752 -39.4652 -39.4652 -37.4381 -37.4381 -33.5526 -33.5526 -33.5020 -33.5020 -11.5462 -11.5462 -11.3628 -11.3628 -11.2926 -11.2926 -7.4586 -7.4586 -6.5570 -6.5570 5.3547 5.3547 5.5765 5.5765 5.6877 5.6877 8.0302 8.0302 8.3338 8.3338 8.5947 8.5947 10.2021 10.2021 10.3493 10.3493 11.6465 11.6465 13.9077 13.9077 14.2836 14.2836 17.2951 17.2951 17.6694 17.6694 k = 0.5308 0.1565-0.0958 ( 2683 PWs) bands (ev): -66.8754 -66.8754 -39.4654 -39.4654 -37.4374 -37.4374 -33.5509 -33.5509 -33.5019 -33.5019 -11.5469 -11.5469 -11.3616 -11.3616 -11.2909 -11.2909 -7.4705 -7.4705 -6.5540 -6.5540 5.3702 5.3702 5.5635 5.5635 5.6692 5.6692 7.9997 7.9997 8.4027 8.4027 8.6372 8.6372 10.1829 10.1829 10.3053 10.3053 11.6400 11.6400 13.9641 13.9641 14.2933 14.2933 17.2479 17.2479 17.6120 17.6120 k = 0.5280 0.1557-0.0789 ( 2677 PWs) bands (ev): -66.8756 -66.8756 -39.4657 -39.4657 -37.4367 -37.4367 -33.5494 -33.5494 -33.5017 -33.5017 -11.5476 -11.5476 -11.3605 -11.3605 -11.2892 -11.2892 -7.4815 -7.4815 -6.5514 -6.5514 5.3852 5.3852 5.5516 5.5516 5.6521 5.6521 7.9652 7.9652 8.4751 8.4751 8.6793 8.6793 10.1623 10.1623 10.2620 10.2620 11.6334 11.6334 14.0184 14.0184 14.3027 14.3027 17.2020 17.2020 17.5593 17.5593 k = 0.5252 0.1548-0.0620 ( 2675 PWs) bands (ev): -66.8757 -66.8757 -39.4659 -39.4659 -37.4362 -37.4362 -33.5480 -33.5480 -33.5016 -33.5016 -11.5482 -11.5482 -11.3595 -11.3595 -11.2876 -11.2876 -7.4915 -7.4915 -6.5489 -6.5489 5.3995 5.3995 5.5410 5.5410 5.6366 5.6366 7.9302 7.9302 8.5469 8.5469 8.7205 8.7205 10.1405 10.1405 10.2197 10.2197 11.6268 11.6268 14.0697 14.0697 14.3119 14.3119 17.1580 17.1580 17.5114 17.5114 k = 0.5224 0.1540-0.0451 ( 2674 PWs) bands (ev): -66.8759 -66.8759 -39.4661 -39.4661 -37.4356 -37.4356 -33.5467 -33.5467 -33.5015 -33.5015 -11.5488 -11.5488 -11.3586 -11.3586 -11.2862 -11.2862 -7.5006 -7.5006 -6.5467 -6.5467 5.4128 5.4128 5.5318 5.5318 5.6227 5.6227 7.8966 7.8966 8.6163 8.6163 8.7604 8.7604 10.1177 10.1177 10.1792 10.1792 11.6203 11.6203 14.1174 14.1174 14.3210 14.3210 17.1164 17.1164 17.4684 17.4684 k = 0.5196 0.1532-0.0282 ( 2672 PWs) bands (ev): -66.8760 -66.8760 -39.4662 -39.4662 -37.4352 -37.4352 -33.5456 -33.5456 -33.5013 -33.5013 -11.5494 -11.5494 -11.3578 -11.3578 -11.2849 -11.2849 -7.5086 -7.5086 -6.5447 -6.5447 5.4245 5.4245 5.5241 5.5241 5.6105 5.6105 7.8653 7.8653 8.6815 8.6815 8.7987 8.7987 10.0943 10.0943 10.1410 10.1410 11.6142 11.6142 14.1606 14.1606 14.3301 14.3301 17.0778 17.0778 17.4302 17.4302 k = 0.5168 0.1524-0.0113 ( 2668 PWs) bands (ev): -66.8761 -66.8761 -39.4664 -39.4664 -37.4348 -37.4348 -33.5446 -33.5446 -33.5012 -33.5012 -11.5499 -11.5499 -11.3571 -11.3571 -11.2837 -11.2837 -7.5156 -7.5156 -6.5430 -6.5430 5.4345 5.4345 5.5182 5.5182 5.5999 5.5999 7.8370 7.8370 8.7412 8.7412 8.8348 8.8348 10.0707 10.0707 10.1059 10.1059 11.6085 11.6085 14.1984 14.1984 14.3394 14.3394 17.0428 17.0428 17.3971 17.3971 k = 0.5140 0.1515 0.0056 ( 2670 PWs) bands (ev): -66.8762 -66.8762 -39.4665 -39.4665 -37.4344 -37.4344 -33.5438 -33.5438 -33.5011 -33.5011 -11.5504 -11.5504 -11.3566 -11.3566 -11.2828 -11.2828 -7.5216 -7.5216 -6.5415 -6.5415 5.4423 5.4423 5.5140 5.5140 5.5911 5.5911 7.8123 7.8123 8.7940 8.7940 8.8683 8.8683 10.0474 10.0474 10.0749 10.0749 11.6035 11.6035 14.2300 14.2300 14.3491 14.3491 17.0119 17.0119 17.3689 17.3689 k = 0.5112 0.1507 0.0225 ( 2665 PWs) bands (ev): -66.8763 -66.8763 -39.4666 -39.4666 -37.4341 -37.4341 -33.5431 -33.5431 -33.5010 -33.5010 -11.5507 -11.5507 -11.3561 -11.3561 -11.2819 -11.2819 -7.5265 -7.5265 -6.5403 -6.5403 5.4479 5.4479 5.5115 5.5115 5.5840 5.5840 7.7915 7.7915 8.8382 8.8382 8.8989 8.8989 10.0252 10.0252 10.0489 10.0489 11.5992 11.5992 14.2547 14.2547 14.3592 14.3592 16.9856 16.9856 17.3458 17.3458 k = 0.5084 0.1499 0.0394 ( 2673 PWs) bands (ev): -66.8763 -66.8763 -39.4667 -39.4667 -37.4339 -37.4339 -33.5426 -33.5426 -33.5010 -33.5010 -11.5510 -11.5510 -11.3558 -11.3558 -11.2813 -11.2813 -7.5303 -7.5303 -6.5394 -6.5394 5.4514 5.4514 5.5105 5.5105 5.5787 5.5787 7.7750 7.7750 8.8725 8.8725 8.9258 8.9258 10.0055 10.0055 10.0285 10.0285 11.5957 11.5957 14.2726 14.2726 14.3691 14.3691 16.9647 16.9647 17.3278 17.3278 k = 0.5056 0.1491 0.0563 ( 2672 PWs) bands (ev): -66.8764 -66.8764 -39.4667 -39.4667 -37.4338 -37.4338 -33.5422 -33.5422 -33.5009 -33.5009 -11.5512 -11.5512 -11.3555 -11.3555 -11.2809 -11.2809 -7.5330 -7.5330 -6.5387 -6.5387 5.4533 5.4533 5.5103 5.5103 5.5750 5.5750 7.7630 7.7630 8.8966 8.8966 8.9473 8.9473 9.9898 9.9898 10.0137 10.0137 11.5932 11.5932 14.2842 14.2842 14.3776 14.3776 16.9493 16.9493 17.3149 17.3149 k = 0.5028 0.1482 0.0732 ( 2676 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5420 -33.5420 -33.5009 -33.5009 -11.5514 -11.5514 -11.3554 -11.3554 -11.2806 -11.2806 -7.5347 -7.5347 -6.5383 -6.5383 5.4542 5.4542 5.5104 5.5104 5.5728 5.5728 7.7557 7.7557 8.9106 8.9106 8.9613 8.9613 9.9799 9.9799 10.0046 10.0046 11.5917 11.5917 14.2907 14.2907 14.3834 14.3834 16.9400 16.9400 17.3072 17.3072 k = 0.5000 0.1474 0.0900 ( 2678 PWs) bands (ev): -66.8764 -66.8764 -39.4668 -39.4668 -37.4337 -37.4337 -33.5420 -33.5420 -33.5009 -33.5009 -11.5515 -11.5515 -11.3554 -11.3554 -11.2805 -11.2805 -7.5352 -7.5352 -6.5382 -6.5382 5.4544 5.4544 5.5105 5.5105 5.5721 5.5721 7.7533 7.7533 8.9153 8.9153 8.9662 8.9662 9.9764 9.9764 10.0016 10.0016 11.5912 11.5912 14.2927 14.2927 14.3854 14.3854 16.9368 16.9368 17.3046 17.3046 k = 0.5000-0.7743-0.4729 ( 2680 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6575 -33.6575 -33.5045 -33.5045 -11.6049 -11.6049 -11.4038 -11.4038 -11.3272 -11.3272 -6.8725 -6.8725 -6.5551 -6.5551 4.8462 4.8462 6.0345 6.0345 6.6118 6.6118 6.6388 6.6388 8.0635 8.0635 8.1584 8.1584 10.2252 10.2252 10.9048 10.9048 11.3338 11.3338 13.6535 13.6535 14.2662 14.2662 20.1223 20.1223 20.1517 20.1517 k = 0.5149-0.7672-0.4687 ( 2676 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6575 -33.6575 -33.5045 -33.5045 -11.6049 -11.6049 -11.4037 -11.4037 -11.3272 -11.3272 -6.8727 -6.8727 -6.5549 -6.5549 4.8455 4.8455 6.0345 6.0345 6.6022 6.6022 6.6491 6.6491 8.0636 8.0636 8.1590 8.1590 10.2247 10.2247 10.9048 10.9048 11.3337 11.3337 13.6535 13.6535 14.2662 14.2662 20.0671 20.0671 20.2027 20.2027 k = 0.5299-0.7602-0.4644 ( 2687 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4796 -37.4796 -33.6575 -33.6575 -33.5046 -33.5046 -11.6049 -11.6049 -11.4038 -11.4038 -11.3273 -11.3273 -6.8734 -6.8734 -6.5542 -6.5542 4.8435 4.8435 6.0345 6.0345 6.5860 6.5860 6.6671 6.6671 8.0638 8.0638 8.1610 8.1610 10.2232 10.2232 10.9048 10.9048 11.3336 11.3336 13.6536 13.6536 14.2664 14.2664 19.9968 19.9968 20.2601 20.2601 k = 0.5448-0.7532-0.4601 ( 2684 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6575 -33.6575 -33.5046 -33.5046 -11.6048 -11.6048 -11.4038 -11.4038 -11.3273 -11.3273 -6.8746 -6.8746 -6.5530 -6.5530 4.8401 4.8401 6.0346 6.0346 6.5693 6.5693 6.6868 6.6868 8.0641 8.0641 8.1643 8.1643 10.2206 10.2206 10.9049 10.9049 11.3333 11.3333 13.6539 13.6539 14.2667 14.2667 19.9241 19.9241 20.3109 20.3109 k = 0.5597-0.7462-0.4558 ( 2686 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6575 -33.6575 -33.5046 -33.5046 -11.6047 -11.6047 -11.4038 -11.4038 -11.3273 -11.3273 -6.8763 -6.8763 -6.5514 -6.5514 4.8354 4.8354 6.0346 6.0346 6.5532 6.5532 6.7072 6.7072 8.0645 8.0645 8.1689 8.1689 10.2171 10.2171 10.9049 10.9049 11.3330 11.3330 13.6543 13.6543 14.2670 14.2670 19.8504 19.8504 20.3540 20.3540 k = 0.5746-0.7392-0.4515 ( 2686 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6575 -33.6575 -33.5046 -33.5046 -11.6046 -11.6046 -11.4038 -11.4038 -11.3273 -11.3273 -6.8783 -6.8783 -6.5494 -6.5494 4.8295 4.8295 6.0348 6.0348 6.5377 6.5377 6.7278 6.7278 8.0649 8.0649 8.1749 8.1749 10.2127 10.2127 10.9050 10.9050 11.3325 11.3325 13.6549 13.6549 14.2675 14.2675 19.7761 19.7761 20.3898 20.3898 k = 0.5896-0.7321-0.4472 ( 2687 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6574 -33.6574 -33.5046 -33.5046 -11.6045 -11.6045 -11.4037 -11.4037 -11.3273 -11.3273 -6.8807 -6.8807 -6.5471 -6.5471 4.8225 4.8225 6.0349 6.0349 6.5231 6.5231 6.7487 6.7487 8.0652 8.0652 8.1823 8.1823 10.2073 10.2073 10.9051 10.9051 11.3320 11.3320 13.6556 13.6556 14.2680 14.2680 19.7017 19.7017 20.4199 20.4199 k = 0.6045-0.7251-0.4429 ( 2687 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6574 -33.6574 -33.5046 -33.5046 -11.6043 -11.6043 -11.4037 -11.4037 -11.3273 -11.3273 -6.8834 -6.8834 -6.5444 -6.5444 4.8144 4.8144 6.0351 6.0351 6.5094 6.5094 6.7695 6.7695 8.0654 8.0654 8.1911 8.1911 10.2010 10.2010 10.9053 10.9053 11.3314 11.3314 13.6565 13.6565 14.2687 14.2687 19.6277 19.6277 20.4462 20.4462 k = 0.6194-0.7181-0.4386 ( 2686 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6574 -33.6574 -33.5046 -33.5046 -11.6042 -11.6042 -11.4036 -11.4036 -11.3272 -11.3272 -6.8864 -6.8864 -6.5415 -6.5415 4.8055 4.8055 6.0353 6.0353 6.4966 6.4966 6.7901 6.7901 8.0655 8.0655 8.2012 8.2012 10.1938 10.1938 10.9054 10.9054 11.3307 11.3307 13.6577 13.6577 14.2694 14.2694 19.5543 19.5543 20.4703 20.4703 k = 0.6343-0.7111-0.4344 ( 2682 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6573 -33.6573 -33.5046 -33.5046 -11.6040 -11.6040 -11.4036 -11.4036 -11.3272 -11.3272 -6.8896 -6.8896 -6.5384 -6.5384 4.7958 4.7958 6.0355 6.0355 6.4847 6.4847 6.8104 6.8104 8.0654 8.0654 8.2126 8.2126 10.1859 10.1859 10.9056 10.9056 11.3299 11.3299 13.6592 13.6592 14.2702 14.2702 19.4818 19.4818 20.4934 20.4934 k = 0.6493-0.7041-0.4301 ( 2687 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6573 -33.6573 -33.5046 -33.5046 -11.6038 -11.6038 -11.4035 -11.4035 -11.3272 -11.3272 -6.8930 -6.8930 -6.5352 -6.5352 4.7855 4.7855 6.0357 6.0357 6.4738 6.4738 6.8302 6.8302 8.0651 8.0651 8.2251 8.2251 10.1772 10.1772 10.9058 10.9058 11.3291 11.3291 13.6609 13.6609 14.2710 14.2710 19.4103 19.4103 20.5162 20.5162 k = 0.6642-0.6970-0.4258 ( 2685 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4795 -37.4795 -33.6572 -33.6572 -33.5046 -33.5046 -11.6035 -11.6035 -11.4035 -11.4035 -11.3272 -11.3272 -6.8965 -6.8965 -6.5319 -6.5319 4.7747 4.7747 6.0360 6.0360 6.4637 6.4637 6.8495 6.8495 8.0647 8.0647 8.2387 8.2387 10.1679 10.1679 10.9061 10.9061 11.3283 11.3283 13.6630 13.6630 14.2719 14.2719 19.3400 19.3400 20.5394 20.5394 k = 0.6791-0.6900-0.4215 ( 2685 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4794 -37.4794 -33.6572 -33.6572 -33.5046 -33.5046 -11.6033 -11.6033 -11.4034 -11.4034 -11.3272 -11.3272 -6.9001 -6.9001 -6.5285 -6.5285 4.7636 4.7636 6.0363 6.0363 6.4546 6.4546 6.8680 6.8680 8.0641 8.0641 8.2532 8.2532 10.1580 10.1580 10.9063 10.9063 11.3275 11.3275 13.6655 13.6655 14.2728 14.2728 19.2712 19.2712 20.5631 20.5631 k = 0.6940-0.6830-0.4172 ( 2686 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4794 -37.4794 -33.6571 -33.6571 -33.5046 -33.5046 -11.6030 -11.6030 -11.4033 -11.4033 -11.3272 -11.3272 -6.9036 -6.9036 -6.5251 -6.5251 4.7522 4.7522 6.0366 6.0366 6.4464 6.4464 6.8858 6.8858 8.0633 8.0633 8.2685 8.2685 10.1476 10.1476 10.9066 10.9066 11.3266 11.3266 13.6684 13.6684 14.2738 14.2738 19.2040 19.2040 20.5877 20.5877 k = 0.7090-0.6760-0.4129 ( 2683 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4794 -37.4794 -33.6571 -33.6571 -33.5046 -33.5046 -11.6028 -11.6028 -11.4032 -11.4032 -11.3272 -11.3272 -6.9071 -6.9071 -6.5219 -6.5219 4.7408 4.7408 6.0369 6.0369 6.4390 6.4390 6.9026 6.9026 8.0624 8.0624 8.2843 8.2843 10.1369 10.1369 10.9070 10.9070 11.3258 11.3258 13.6717 13.6717 14.2748 14.2748 19.1385 19.1385 20.6132 20.6132 k = 0.7239-0.6690-0.4086 ( 2683 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4794 -37.4794 -33.6570 -33.6570 -33.5046 -33.5046 -11.6025 -11.6025 -11.4032 -11.4032 -11.3272 -11.3272 -6.9106 -6.9106 -6.5187 -6.5187 4.7295 4.7295 6.0372 6.0372 6.4324 6.4324 6.9184 6.9184 8.0614 8.0614 8.3006 8.3006 10.1259 10.1259 10.9074 10.9074 11.3249 11.3249 13.6755 13.6755 14.2758 14.2758 19.0750 19.0750 20.6397 20.6397 k = 0.7388-0.6619-0.4043 ( 2681 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4793 -37.4793 -33.6569 -33.6569 -33.5046 -33.5046 -11.6022 -11.6022 -11.4031 -11.4031 -11.3271 -11.3271 -6.9139 -6.9139 -6.5157 -6.5157 4.7184 4.7184 6.0376 6.0376 6.4267 6.4267 6.9331 6.9331 8.0603 8.0603 8.3170 8.3170 10.1148 10.1148 10.9078 10.9078 11.3241 11.3241 13.6796 13.6796 14.2768 14.2768 19.0134 19.0134 20.6672 20.6672 k = 0.7537-0.6549-0.4001 ( 2681 PWs) bands (ev): -66.8640 -66.8640 -39.4502 -39.4502 -37.4793 -37.4793 -33.6569 -33.6569 -33.5046 -33.5046 -11.6020 -11.6020 -11.4030 -11.4030 -11.3271 -11.3271 -6.9171 -6.9171 -6.5128 -6.5128 4.7077 4.7077 6.0379 6.0379 6.4217 6.4217 6.9466 6.9466 8.0590 8.0590 8.3334 8.3334 10.1037 10.1037 10.9082 10.9082 11.3234 11.3234 13.6843 13.6843 14.2777 14.2777 18.9541 18.9541 20.6957 20.6957 k = 0.7687-0.6479-0.3958 ( 2681 PWs) bands (ev): -66.8640 -66.8640 -39.4503 -39.4503 -37.4793 -37.4793 -33.6568 -33.6568 -33.5046 -33.5046 -11.6017 -11.6017 -11.4029 -11.4029 -11.3271 -11.3271 -6.9201 -6.9201 -6.5102 -6.5102 4.6975 4.6975 6.0383 6.0383 6.4174 6.4174 6.9589 6.9589 8.0577 8.0577 8.3496 8.3496 10.0928 10.0928 10.9087 10.9087 11.3226 11.3226 13.6893 13.6893 14.2787 14.2787 18.8971 18.8971 20.7250 20.7250 k = 0.7836-0.6409-0.3915 ( 2686 PWs) bands (ev): -66.8641 -66.8641 -39.4503 -39.4503 -37.4793 -37.4793 -33.6567 -33.6567 -33.5046 -33.5046 -11.6014 -11.6014 -11.4029 -11.4029 -11.3271 -11.3271 -6.9229 -6.9229 -6.5079 -6.5079 4.6879 4.6879 6.0387 6.0387 6.4139 6.4139 6.9699 6.9699 8.0563 8.0563 8.3653 8.3653 10.0822 10.0822 10.9092 10.9092 11.3220 11.3220 13.6947 13.6947 14.2795 14.2795 18.8426 18.8426 20.7552 20.7552 k = 0.7985-0.6339-0.3872 ( 2689 PWs) bands (ev): -66.8641 -66.8641 -39.4503 -39.4503 -37.4792 -37.4792 -33.6566 -33.6566 -33.5046 -33.5046 -11.6012 -11.6012 -11.4028 -11.4028 -11.3271 -11.3271 -6.9255 -6.9255 -6.5059 -6.5059 4.6790 4.6790 6.0390 6.0390 6.4110 6.4110 6.9796 6.9796 8.0549 8.0549 8.3803 8.3803 10.0721 10.0721 10.9098 10.9098 11.3214 11.3214 13.7005 13.7005 14.2804 14.2804 18.7907 18.7907 20.7860 20.7860 k = 0.8134-0.6269-0.3829 ( 2691 PWs) bands (ev): -66.8641 -66.8641 -39.4503 -39.4503 -37.4792 -37.4792 -33.6566 -33.6566 -33.5046 -33.5046 -11.6009 -11.6009 -11.4028 -11.4028 -11.3271 -11.3271 -6.9277 -6.9277 -6.5041 -6.5041 4.6709 4.6709 6.0394 6.0394 6.4088 6.4088 6.9878 6.9878 8.0534 8.0534 8.3944 8.3944 10.0626 10.0626 10.9104 10.9104 11.3210 11.3210 13.7066 13.7066 14.2812 14.2812 18.7416 18.7416 20.8172 20.8172 Writing output data file NaRhO2.save init_run : 0.22s CPU 0.37s WALL ( 1 calls) electrons : 146.80s CPU 148.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 146.80s CPU 148.83s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 392 calls) cegterg : 133.40s CPU 134.87s WALL ( 392 calls) Called by sum_band: Called by *egterg: h_psi : 100.84s CPU 101.95s WALL ( 6529 calls) s_psi : 1.62s CPU 1.60s WALL ( 6529 calls) g_psi : 0.12s CPU 0.14s WALL ( 5745 calls) cdiaghg : 33.82s CPU 34.44s WALL ( 6137 calls) cegterg:over : 3.36s CPU 3.36s WALL ( 5745 calls) cegterg:upda : 2.11s CPU 2.16s WALL ( 5745 calls) cegterg:last : 1.54s CPU 1.58s WALL ( 1176 calls) cdiaghg:chol : 1.71s CPU 1.84s WALL ( 6137 calls) cdiaghg:inve : 1.23s CPU 1.23s WALL ( 6137 calls) cdiaghg:para : 1.90s CPU 1.97s WALL ( 12274 calls) Called by h_psi: h_psi:vloc : 96.74s CPU 97.74s WALL ( 6529 calls) h_psi:vnl : 3.98s CPU 4.09s WALL ( 6529 calls) add_vuspsi : 1.99s CPU 1.98s WALL ( 6529 calls) General routines calbec : 1.98s CPU 2.09s WALL ( 6529 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 91.10s CPU 92.15s WALL ( 679428 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.24s WALL ( 784 calls) Parallel routines fft_scatter : 23.68s CPU 23.42s WALL ( 679451 calls) PWSCF : 2m42.10s CPU 3m14.31s WALL This run was terminated on: 21: 7:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=