Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 0:14 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: ./YCuO2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 52 30 8 1138 497 79 Max 53 31 9 1140 514 83 Sum 1885 1093 321 40987 18173 2935 bravais-lattice index = 14 lattice parameter (alat) = 11.4617 a.u. unit-cell volume = 416.6800 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.461720 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.830349 celldm(5)= 0.830349 celldm(6)= 0.830349 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.830349 0.557243 0.000000 ) a(3) = ( 0.830349 0.252797 0.496602 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.490103 -0.913521 ) b(2) = ( 0.000000 1.794549 -0.913521 ) b(3) = ( 0.000000 0.000000 2.013685 ) 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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) Cu 11.00 63.54600 Cu( 1.00) Y 11.00 88.90590 Y( 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= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0094340 -0.0140576 -0.0086181), wk = 0.0028736 k( 3) = ( 0.0188679 -0.0281151 -0.0172362), wk = 0.0028736 k( 4) = ( 0.0283019 -0.0421727 -0.0258544), wk = 0.0028736 k( 5) = ( 0.0377359 -0.0562303 -0.0344725), wk = 0.0028736 k( 6) = ( 0.0471698 -0.0702879 -0.0430906), wk = 0.0028736 k( 7) = ( 0.0566038 -0.0843454 -0.0517087), wk = 0.0028736 k( 8) = ( 0.0660377 -0.0984030 -0.0603268), wk = 0.0028736 k( 9) = ( 0.0754717 -0.1124606 -0.0689450), wk = 0.0028736 k( 10) = ( 0.0849057 -0.1265182 -0.0775631), wk = 0.0028736 k( 11) = ( 0.0943396 -0.1405757 -0.0861812), wk = 0.0028736 k( 12) = ( 0.1037736 -0.1546333 -0.0947993), wk = 0.0028736 k( 13) = ( 0.1132076 -0.1686909 -0.1034174), wk = 0.0028736 k( 14) = ( 0.1226415 -0.1827484 -0.1120355), wk = 0.0028736 k( 15) = ( 0.1320755 -0.1968060 -0.1206537), wk = 0.0028736 k( 16) = ( 0.1415094 -0.2108636 -0.1292718), wk = 0.0028736 k( 17) = ( 0.1509434 -0.2249212 -0.1378899), wk = 0.0028736 k( 18) = ( 0.1603774 -0.2389787 -0.1465080), wk = 0.0028736 k( 19) = ( 0.1698113 -0.2530363 -0.1551261), wk = 0.0028736 k( 20) = ( 0.1792453 -0.2670939 -0.1637443), wk = 0.0028736 k( 21) = ( 0.1886792 -0.2811515 -0.1723624), wk = 0.0028736 k( 22) = ( 0.1981132 -0.2952090 -0.1809805), wk = 0.0028736 k( 23) = ( 0.2075472 -0.3092666 -0.1895986), wk = 0.0028736 k( 24) = ( 0.2169811 -0.3233242 -0.1982167), wk = 0.0028736 k( 25) = ( 0.2264151 -0.3373817 -0.2068349), wk = 0.0028736 k( 26) = ( 0.2358491 -0.3514393 -0.2154530), wk = 0.0028736 k( 27) = ( 0.2452830 -0.3654969 -0.2240711), wk = 0.0028736 k( 28) = ( 0.2547170 -0.3795545 -0.2326892), wk = 0.0028736 k( 29) = ( 0.2641509 -0.3936120 -0.2413073), wk = 0.0028736 k( 30) = ( 0.2735849 -0.4076696 -0.2499255), wk = 0.0028736 k( 31) = ( 0.2830189 -0.4217272 -0.2585436), wk = 0.0028736 k( 32) = ( 0.2924528 -0.4357848 -0.2671617), wk = 0.0028736 k( 33) = ( 0.3018868 -0.4498423 -0.2757798), wk = 0.0028736 k( 34) = ( 0.3113207 -0.4638999 -0.2843979), wk = 0.0028736 k( 35) = ( 0.3207547 -0.4779575 -0.2930160), wk = 0.0028736 k( 36) = ( 0.3301887 -0.4920151 -0.3016342), wk = 0.0028736 k( 37) = ( 0.3396226 -0.5060726 -0.3102523), wk = 0.0028736 k( 38) = ( 0.3490566 -0.5201302 -0.3188704), wk = 0.0028736 k( 39) = ( 0.3584906 -0.5341878 -0.3274885), wk = 0.0028736 k( 40) = ( 0.3679245 -0.5482453 -0.3361066), wk = 0.0028736 k( 41) = ( 0.3773585 -0.5623029 -0.3447248), wk = 0.0028736 k( 42) = ( 0.3867925 -0.5763605 -0.3533429), wk = 0.0028736 k( 43) = ( 0.3962264 -0.5904181 -0.3619610), wk = 0.0028736 k( 44) = ( 0.4056604 -0.6044756 -0.3705791), wk = 0.0028736 k( 45) = ( 0.4150943 -0.6185332 -0.3791972), wk = 0.0028736 k( 46) = ( 0.4245283 -0.6325908 -0.3878154), wk = 0.0028736 k( 47) = ( 0.4339623 -0.6466483 -0.3964335), wk = 0.0028736 k( 48) = ( 0.4433962 -0.6607059 -0.4050516), wk = 0.0028736 k( 49) = ( 0.4528302 -0.6747635 -0.4136697), wk = 0.0028736 k( 50) = ( 0.4622641 -0.6888211 -0.4222878), wk = 0.0028736 k( 51) = ( 0.4716981 -0.7028786 -0.4309059), wk = 0.0028736 k( 52) = ( 0.4811321 -0.7169362 -0.4395241), wk = 0.0028736 k( 53) = ( 0.4905660 -0.7309938 -0.4481422), wk = 0.0028736 k( 54) = ( 0.5000000 -0.7450514 -0.4567603), wk = 0.0028736 k( 55) = ( 0.5000000 -0.7450514 -0.4567603), wk = 0.0028736 k( 56) = ( 0.5000000 -0.7351327 -0.4729392), wk = 0.0028736 k( 57) = ( 0.5000000 -0.7252142 -0.4891181), wk = 0.0028736 k( 58) = ( 0.5000000 -0.7152955 -0.5052970), wk = 0.0028736 k( 59) = ( 0.5000000 -0.7053769 -0.5214758), wk = 0.0028736 k( 60) = ( 0.5000000 -0.6954583 -0.5376547), wk = 0.0028736 k( 61) = ( 0.5000000 -0.6855397 -0.5538336), wk = 0.0028736 k( 62) = ( 0.5000000 -0.6756211 -0.5700125), wk = 0.0028736 k( 63) = ( 0.5000000 -0.6657025 -0.5861914), wk = 0.0028736 k( 64) = ( 0.5000000 -0.6557839 -0.6023703), wk = 0.0028736 k( 65) = ( 0.5000000 -0.6458653 -0.6185491), wk = 0.0028736 k( 66) = ( 0.5000000 -0.6359467 -0.6347280), wk = 0.0028736 k( 67) = ( 0.5000000 -0.6260281 -0.6509069), wk = 0.0028736 k( 68) = ( 0.5000000 -0.6161095 -0.6670858), wk = 0.0028736 k( 69) = ( 0.5000000 -0.6061909 -0.6832647), wk = 0.0028736 k( 70) = ( 0.5000000 -0.5962723 -0.6994436), wk = 0.0028736 k( 71) = ( 0.5000000 -0.5863537 -0.7156224), wk = 0.0028736 k( 72) = ( 0.5000000 -0.5764350 -0.7318013), wk = 0.0028736 k( 73) = ( 0.5000000 -0.5665164 -0.7479802), wk = 0.0028736 k( 74) = ( 0.5000000 -0.5565978 -0.7641591), wk = 0.0028736 k( 75) = ( 0.5000000 -0.5466792 -0.7803380), wk = 0.0028736 k( 76) = ( 0.5000000 -0.5367606 -0.7965169), wk = 0.0028736 k( 77) = ( 0.5000000 -0.5268420 -0.8126957), wk = 0.0028736 k( 78) = ( 0.5000000 -0.5169234 -0.8288746), wk = 0.0028736 k( 79) = ( 0.5000000 -0.5070048 -0.8450535), wk = 0.0028736 k( 80) = ( 0.5000000 -0.4970862 -0.8612324), wk = 0.0028736 k( 81) = ( 0.5000000 -0.4871676 -0.8774113), wk = 0.0028736 k( 82) = ( 0.5000000 -0.4772490 -0.8935902), wk = 0.0028736 k( 83) = ( 0.5000000 -0.4673304 -0.9097690), wk = 0.0028736 k( 84) = ( 0.5000000 -0.4574118 -0.9259479), wk = 0.0028736 k( 85) = ( 0.5000000 -0.4474932 -0.9421268), wk = 0.0028736 k( 86) = ( 0.5000000 -0.4375745 -0.9583057), wk = 0.0028736 k( 87) = ( 0.5000000 -0.4276559 -0.9744846), wk = 0.0028736 k( 88) = ( 0.5000000 -0.4177373 -0.9906635), wk = 0.0028736 k( 89) = ( 0.5000000 -0.4078187 -1.0068423), wk = 0.0028736 k( 90) = ( 0.8120795 -0.3128073 -0.8201989), wk = 0.0028736 k( 91) = ( 0.8065066 -0.3045032 -0.8038860), wk = 0.0028736 k( 92) = ( 0.8009337 -0.2961991 -0.7875731), wk = 0.0028736 k( 93) = ( 0.7953609 -0.2878949 -0.7712603), wk = 0.0028736 k( 94) = ( 0.7897881 -0.2795908 -0.7549474), wk = 0.0028736 k( 95) = ( 0.7842152 -0.2712867 -0.7386345), wk = 0.0028736 k( 96) = ( 0.7786424 -0.2629826 -0.7223217), wk = 0.0028736 k( 97) = ( 0.7730695 -0.2546785 -0.7060088), wk = 0.0028736 k( 98) = ( 0.7674967 -0.2463744 -0.6896959), wk = 0.0028736 k( 99) = ( 0.7619238 -0.2380703 -0.6733831), wk = 0.0028736 k( 100) = ( 0.7563510 -0.2297661 -0.6570702), wk = 0.0028736 k( 101) = ( 0.7507781 -0.2214620 -0.6407573), wk = 0.0028736 k( 102) = ( 0.7452053 -0.2131579 -0.6244445), wk = 0.0028736 k( 103) = ( 0.7396324 -0.2048538 -0.6081316), wk = 0.0028736 k( 104) = ( 0.7340596 -0.1965497 -0.5918187), wk = 0.0028736 k( 105) = ( 0.7284867 -0.1882456 -0.5755059), wk = 0.0028736 k( 106) = ( 0.7229139 -0.1799415 -0.5591930), wk = 0.0028736 k( 107) = ( 0.7173410 -0.1716373 -0.5428801), wk = 0.0028736 k( 108) = ( 0.7117682 -0.1633332 -0.5265673), wk = 0.0028736 k( 109) = ( 0.7061953 -0.1550291 -0.5102544), wk = 0.0028736 k( 110) = ( 0.7006225 -0.1467250 -0.4939415), wk = 0.0028736 k( 111) = ( 0.6950496 -0.1384209 -0.4776286), wk = 0.0028736 k( 112) = ( 0.6894768 -0.1301168 -0.4613158), wk = 0.0028736 k( 113) = ( 0.6839040 -0.1218127 -0.4450029), wk = 0.0028736 k( 114) = ( 0.6783311 -0.1135085 -0.4286900), wk = 0.0028736 k( 115) = ( 0.6727583 -0.1052044 -0.4123772), wk = 0.0028736 k( 116) = ( 0.6671854 -0.0969003 -0.3960643), wk = 0.0028736 k( 117) = ( 0.6616126 -0.0885962 -0.3797514), wk = 0.0028736 k( 118) = ( 0.6560397 -0.0802921 -0.3634386), wk = 0.0028736 k( 119) = ( 0.6504669 -0.0719880 -0.3471257), wk = 0.0028736 k( 120) = ( 0.6448940 -0.0636838 -0.3308128), wk = 0.0028736 k( 121) = ( 0.6393212 -0.0553797 -0.3145000), wk = 0.0028736 k( 122) = ( 0.6337483 -0.0470756 -0.2981871), wk = 0.0028736 k( 123) = ( 0.6281755 -0.0387715 -0.2818742), wk = 0.0028736 k( 124) = ( 0.6226026 -0.0304674 -0.2655614), wk = 0.0028736 k( 125) = ( 0.6170298 -0.0221633 -0.2492485), wk = 0.0028736 k( 126) = ( 0.6114569 -0.0138592 -0.2329356), wk = 0.0028736 k( 127) = ( 0.6058841 -0.0055550 -0.2166228), wk = 0.0028736 k( 128) = ( 0.6003112 0.0027491 -0.2003099), wk = 0.0028736 k( 129) = ( 0.5947384 0.0110532 -0.1839970), wk = 0.0028736 k( 130) = ( 0.5891656 0.0193573 -0.1676842), wk = 0.0028736 k( 131) = ( 0.5835927 0.0276614 -0.1513713), wk = 0.0028736 k( 132) = ( 0.5780199 0.0359655 -0.1350584), wk = 0.0028736 k( 133) = ( 0.5724470 0.0442697 -0.1187455), wk = 0.0028736 k( 134) = ( 0.5668742 0.0525738 -0.1024327), wk = 0.0028736 k( 135) = ( 0.5613013 0.0608779 -0.0861198), wk = 0.0028736 k( 136) = ( 0.5557285 0.0691820 -0.0698069), wk = 0.0028736 k( 137) = ( 0.5501556 0.0774861 -0.0534941), wk = 0.0028736 k( 138) = ( 0.5445828 0.0857902 -0.0371812), wk = 0.0028736 k( 139) = ( 0.5390099 0.0940943 -0.0208683), wk = 0.0028736 k( 140) = ( 0.5334371 0.1023985 -0.0045555), wk = 0.0028736 k( 141) = ( 0.5278642 0.1107026 0.0117574), wk = 0.0028736 k( 142) = ( 0.5222914 0.1190067 0.0280703), wk = 0.0028736 k( 143) = ( 0.5167185 0.1273108 0.0443831), wk = 0.0028736 k( 144) = ( 0.5111457 0.1356149 0.0606960), wk = 0.0028736 k( 145) = ( 0.5055728 0.1439190 0.0770089), wk = 0.0028736 k( 146) = ( 0.5000000 0.1522231 0.0933217), wk = 0.0028736 k( 147) = ( 0.5000000 0.1522231 0.0933217), wk = 0.0028736 k( 148) = ( 0.4821429 0.1467866 0.0899888), wk = 0.0028736 k( 149) = ( 0.4642857 0.1413501 0.0866559), wk = 0.0028736 k( 150) = ( 0.4464286 0.1359135 0.0833230), wk = 0.0028736 k( 151) = ( 0.4285714 0.1304770 0.0799901), wk = 0.0028736 k( 152) = ( 0.4107143 0.1250404 0.0766571), wk = 0.0028736 k( 153) = ( 0.3928571 0.1196039 0.0733242), wk = 0.0028736 k( 154) = ( 0.3750000 0.1141674 0.0699913), wk = 0.0028736 k( 155) = ( 0.3571429 0.1087308 0.0666584), wk = 0.0028736 k( 156) = ( 0.3392857 0.1032943 0.0633255), wk = 0.0028736 k( 157) = ( 0.3214286 0.0978577 0.0599925), wk = 0.0028736 k( 158) = ( 0.3035714 0.0924212 0.0566596), wk = 0.0028736 k( 159) = ( 0.2857143 0.0869847 0.0533267), wk = 0.0028736 k( 160) = ( 0.2678571 0.0815481 0.0499938), wk = 0.0028736 k( 161) = ( 0.2500000 0.0761116 0.0466609), wk = 0.0028736 k( 162) = ( 0.2321429 0.0706750 0.0433279), wk = 0.0028736 k( 163) = ( 0.2142857 0.0652385 0.0399950), wk = 0.0028736 k( 164) = ( 0.1964286 0.0598019 0.0366621), wk = 0.0028736 k( 165) = ( 0.1785714 0.0543654 0.0333292), wk = 0.0028736 k( 166) = ( 0.1607143 0.0489289 0.0299963), wk = 0.0028736 k( 167) = ( 0.1428571 0.0434923 0.0266634), wk = 0.0028736 k( 168) = ( 0.1250000 0.0380558 0.0233304), wk = 0.0028736 k( 169) = ( 0.1071429 0.0326192 0.0199975), wk = 0.0028736 k( 170) = ( 0.0892857 0.0271827 0.0166646), wk = 0.0028736 k( 171) = ( 0.0714286 0.0217462 0.0133317), wk = 0.0028736 k( 172) = ( 0.0535714 0.0163096 0.0099988), wk = 0.0028736 k( 173) = ( 0.0357143 0.0108731 0.0066658), wk = 0.0028736 k( 174) = ( 0.0178571 0.0054365 0.0033329), wk = 0.0028736 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 177) = ( 0.0055477 -0.0082667 -0.0162394), wk = 0.0028736 k( 178) = ( 0.0110955 -0.0165334 -0.0324788), wk = 0.0028736 k( 179) = ( 0.0166432 -0.0248001 -0.0487182), wk = 0.0028736 k( 180) = ( 0.0221910 -0.0330669 -0.0649576), wk = 0.0028736 k( 181) = ( 0.0277387 -0.0413336 -0.0811970), wk = 0.0028736 k( 182) = ( 0.0332865 -0.0496003 -0.0974364), wk = 0.0028736 k( 183) = ( 0.0388342 -0.0578670 -0.1136757), wk = 0.0028736 k( 184) = ( 0.0443820 -0.0661337 -0.1299151), wk = 0.0028736 k( 185) = ( 0.0499297 -0.0744004 -0.1461545), wk = 0.0028736 k( 186) = ( 0.0554775 -0.0826671 -0.1623939), wk = 0.0028736 k( 187) = ( 0.0610252 -0.0909338 -0.1786333), wk = 0.0028736 k( 188) = ( 0.0665730 -0.0992005 -0.1948727), wk = 0.0028736 k( 189) = ( 0.0721207 -0.1074673 -0.2111121), wk = 0.0028736 k( 190) = ( 0.0776684 -0.1157340 -0.2273515), wk = 0.0028736 k( 191) = ( 0.0832162 -0.1240007 -0.2435909), wk = 0.0028736 k( 192) = ( 0.0887639 -0.1322674 -0.2598303), wk = 0.0028736 k( 193) = ( 0.0943117 -0.1405341 -0.2760697), wk = 0.0028736 k( 194) = ( 0.0998594 -0.1488008 -0.2923091), wk = 0.0028736 k( 195) = ( 0.1054072 -0.1570675 -0.3085485), wk = 0.0028736 k( 196) = ( 0.1109549 -0.1653342 -0.3247879), wk = 0.0028736 k( 197) = ( 0.1165027 -0.1736009 -0.3410272), wk = 0.0028736 k( 198) = ( 0.1220504 -0.1818677 -0.3572666), wk = 0.0028736 k( 199) = ( 0.1275982 -0.1901344 -0.3735060), wk = 0.0028736 k( 200) = ( 0.1331459 -0.1984011 -0.3897454), wk = 0.0028736 k( 201) = ( 0.1386937 -0.2066678 -0.4059848), wk = 0.0028736 k( 202) = ( 0.1442414 -0.2149345 -0.4222242), wk = 0.0028736 k( 203) = ( 0.1497892 -0.2232012 -0.4384636), wk = 0.0028736 k( 204) = ( 0.1553369 -0.2314679 -0.4547030), wk = 0.0028736 k( 205) = ( 0.1608846 -0.2397347 -0.4709424), wk = 0.0028736 k( 206) = ( 0.1664324 -0.2480014 -0.4871818), wk = 0.0028736 k( 207) = ( 0.1719801 -0.2562681 -0.5034212), wk = 0.0028736 k( 208) = ( 0.1775279 -0.2645348 -0.5196606), wk = 0.0028736 k( 209) = ( 0.1830756 -0.2728015 -0.5359000), wk = 0.0028736 k( 210) = ( 0.1886234 -0.2810682 -0.5521394), wk = 0.0028736 k( 211) = ( 0.1941711 -0.2893349 -0.5683787), wk = 0.0028736 k( 212) = ( 0.1997189 -0.2976016 -0.5846181), wk = 0.0028736 k( 213) = ( 0.2052666 -0.3058684 -0.6008575), wk = 0.0028736 k( 214) = ( 0.2108144 -0.3141351 -0.6170969), wk = 0.0028736 k( 215) = ( 0.2163621 -0.3224018 -0.6333363), wk = 0.0028736 k( 216) = ( 0.2219099 -0.3306685 -0.6495757), wk = 0.0028736 k( 217) = ( 0.2274576 -0.3389352 -0.6658151), wk = 0.0028736 k( 218) = ( 0.2330053 -0.3472019 -0.6820545), wk = 0.0028736 k( 219) = ( 0.2385531 -0.3554686 -0.6982939), wk = 0.0028736 k( 220) = ( 0.2441008 -0.3637353 -0.7145333), wk = 0.0028736 k( 221) = ( 0.2496486 -0.3720020 -0.7307727), wk = 0.0028736 k( 222) = ( 0.2551963 -0.3802687 -0.7470121), wk = 0.0028736 k( 223) = ( 0.2607441 -0.3885355 -0.7632515), wk = 0.0028736 k( 224) = ( 0.2662918 -0.3968022 -0.7794909), wk = 0.0028736 k( 225) = ( 0.2718396 -0.4050689 -0.7957302), wk = 0.0028736 k( 226) = ( 0.2773873 -0.4133356 -0.8119696), wk = 0.0028736 k( 227) = ( 0.2829351 -0.4216023 -0.8282090), wk = 0.0028736 k( 228) = ( 0.2884828 -0.4298690 -0.8444484), wk = 0.0028736 k( 229) = ( 0.2940306 -0.4381357 -0.8606878), wk = 0.0028736 k( 230) = ( 0.2995783 -0.4464025 -0.8769272), wk = 0.0028736 k( 231) = ( 0.3051260 -0.4546692 -0.8931666), wk = 0.0028736 k( 232) = ( 0.3106738 -0.4629359 -0.9094060), wk = 0.0028736 k( 233) = ( 0.3162215 -0.4712026 -0.9256454), wk = 0.0028736 k( 234) = ( 0.3217693 -0.4794693 -0.9418848), wk = 0.0028736 k( 235) = ( 0.3273170 -0.4877360 -0.9581242), wk = 0.0028736 k( 236) = ( 0.3328648 -0.4960027 -0.9743635), wk = 0.0028736 k( 237) = ( 0.3384125 -0.5042694 -0.9906030), wk = 0.0028736 k( 238) = ( 0.3439603 -0.5125362 -1.0068424), wk = 0.0028736 k( 239) = ( 0.6560397 -0.3603130 -0.9135206), wk = 0.0028736 k( 240) = ( 0.6504669 -0.3420082 -0.9135206), wk = 0.0028736 k( 241) = ( 0.6448940 -0.3237033 -0.9135206), wk = 0.0028736 k( 242) = ( 0.6393212 -0.3053984 -0.9135206), wk = 0.0028736 k( 243) = ( 0.6337483 -0.2870935 -0.9135206), wk = 0.0028736 k( 244) = ( 0.6281755 -0.2687887 -0.9135206), wk = 0.0028736 k( 245) = ( 0.6226026 -0.2504838 -0.9135206), wk = 0.0028736 k( 246) = ( 0.6170298 -0.2321790 -0.9135206), wk = 0.0028736 k( 247) = ( 0.6114569 -0.2138741 -0.9135206), wk = 0.0028736 k( 248) = ( 0.6058841 -0.1955693 -0.9135206), wk = 0.0028736 k( 249) = ( 0.6003112 -0.1772644 -0.9135206), wk = 0.0028736 k( 250) = ( 0.5947384 -0.1589595 -0.9135206), wk = 0.0028736 k( 251) = ( 0.5891656 -0.1406547 -0.9135206), wk = 0.0028736 k( 252) = ( 0.5835927 -0.1223498 -0.9135206), wk = 0.0028736 k( 253) = ( 0.5780199 -0.1040449 -0.9135206), wk = 0.0028736 k( 254) = ( 0.5724470 -0.0857401 -0.9135206), wk = 0.0028736 k( 255) = ( 0.5668742 -0.0674352 -0.9135206), wk = 0.0028736 k( 256) = ( 0.5613013 -0.0491303 -0.9135206), wk = 0.0028736 k( 257) = ( 0.5557285 -0.0308255 -0.9135206), wk = 0.0028736 k( 258) = ( 0.5501556 -0.0125206 -0.9135206), wk = 0.0028736 k( 259) = ( 0.5445828 0.0057842 -0.9135206), wk = 0.0028736 k( 260) = ( 0.5390099 0.0240891 -0.9135206), wk = 0.0028736 k( 261) = ( 0.5334371 0.0423940 -0.9135206), wk = 0.0028736 k( 262) = ( 0.5278642 0.0606988 -0.9135206), wk = 0.0028736 k( 263) = ( 0.5222914 0.0790037 -0.9135206), wk = 0.0028736 k( 264) = ( 0.5167185 0.0973086 -0.9135206), wk = 0.0028736 k( 265) = ( 0.5111457 0.1156134 -0.9135206), wk = 0.0028736 k( 266) = ( 0.5055728 0.1339183 -0.9135206), wk = 0.0028736 k( 267) = ( 0.5000000 0.1522231 -0.9135206), wk = 0.0028736 k( 268) = ( 0.5000000 0.1522231 -0.9135206), wk = 0.0028736 k( 269) = ( 0.5156040 0.1569737 -0.9041884), wk = 0.0028736 k( 270) = ( 0.5312079 0.1617243 -0.8948563), wk = 0.0028736 k( 271) = ( 0.5468119 0.1664749 -0.8855241), wk = 0.0028736 k( 272) = ( 0.5624159 0.1712254 -0.8761919), wk = 0.0028736 k( 273) = ( 0.5780199 0.1759760 -0.8668597), wk = 0.0028736 k( 274) = ( 0.5936238 0.1807266 -0.8575276), wk = 0.0028736 k( 275) = ( 0.6092278 0.1854771 -0.8481954), wk = 0.0028736 k( 276) = ( 0.6248318 0.1902277 -0.8388632), wk = 0.0028736 k( 277) = ( 0.6404357 0.1949783 -0.8295310), wk = 0.0028736 k( 278) = ( 0.6560397 0.1997289 -0.8201989), wk = 0.0028736 k( 279) = ( 0.6560397 0.1997289 -0.8201989), wk = 0.0028736 k( 280) = ( 0.6528552 0.1987593 -0.8015556), wk = 0.0028736 k( 281) = ( 0.6496707 0.1977898 -0.7829123), wk = 0.0028736 k( 282) = ( 0.6464863 0.1968203 -0.7642690), wk = 0.0028736 k( 283) = ( 0.6433018 0.1958508 -0.7456258), wk = 0.0028736 k( 284) = ( 0.6401173 0.1948813 -0.7269825), wk = 0.0028736 k( 285) = ( 0.6369328 0.1939118 -0.7083392), wk = 0.0028736 k( 286) = ( 0.6337483 0.1929423 -0.6896959), wk = 0.0028736 k( 287) = ( 0.6305639 0.1919728 -0.6710527), wk = 0.0028736 k( 288) = ( 0.6273794 0.1910033 -0.6524094), wk = 0.0028736 k( 289) = ( 0.6241949 0.1900338 -0.6337661), wk = 0.0028736 k( 290) = ( 0.6210104 0.1890643 -0.6151228), wk = 0.0028736 k( 291) = ( 0.6178259 0.1880948 -0.5964795), wk = 0.0028736 k( 292) = ( 0.6146414 0.1871253 -0.5778363), wk = 0.0028736 k( 293) = ( 0.6114569 0.1861558 -0.5591930), wk = 0.0028736 k( 294) = ( 0.6082725 0.1851863 -0.5405497), wk = 0.0028736 k( 295) = ( 0.6050880 0.1842168 -0.5219064), wk = 0.0028736 k( 296) = ( 0.6019035 0.1832473 -0.5032632), wk = 0.0028736 k( 297) = ( 0.5987190 0.1822778 -0.4846199), wk = 0.0028736 k( 298) = ( 0.5955345 0.1813083 -0.4659766), wk = 0.0028736 k( 299) = ( 0.5923500 0.1803388 -0.4473333), wk = 0.0028736 k( 300) = ( 0.5891656 0.1793693 -0.4286900), wk = 0.0028736 k( 301) = ( 0.5859811 0.1783998 -0.4100468), wk = 0.0028736 k( 302) = ( 0.5827966 0.1774303 -0.3914035), wk = 0.0028736 k( 303) = ( 0.5796121 0.1764607 -0.3727602), wk = 0.0028736 k( 304) = ( 0.5764276 0.1754912 -0.3541169), wk = 0.0028736 k( 305) = ( 0.5732431 0.1745217 -0.3354737), wk = 0.0028736 k( 306) = ( 0.5700587 0.1735522 -0.3168304), wk = 0.0028736 k( 307) = ( 0.5668742 0.1725827 -0.2981871), wk = 0.0028736 k( 308) = ( 0.5636897 0.1716132 -0.2795438), wk = 0.0028736 k( 309) = ( 0.5605052 0.1706437 -0.2609005), wk = 0.0028736 k( 310) = ( 0.5573207 0.1696742 -0.2422573), wk = 0.0028736 k( 311) = ( 0.5541362 0.1687047 -0.2236140), wk = 0.0028736 k( 312) = ( 0.5509517 0.1677352 -0.2049707), wk = 0.0028736 k( 313) = ( 0.5477673 0.1667657 -0.1863274), wk = 0.0028736 k( 314) = ( 0.5445828 0.1657962 -0.1676842), wk = 0.0028736 k( 315) = ( 0.5413983 0.1648267 -0.1490409), wk = 0.0028736 k( 316) = ( 0.5382138 0.1638572 -0.1303976), wk = 0.0028736 k( 317) = ( 0.5350293 0.1628877 -0.1117543), wk = 0.0028736 k( 318) = ( 0.5318448 0.1619182 -0.0931110), wk = 0.0028736 k( 319) = ( 0.5286604 0.1609487 -0.0744678), wk = 0.0028736 k( 320) = ( 0.5254759 0.1599792 -0.0558245), wk = 0.0028736 k( 321) = ( 0.5222914 0.1590097 -0.0371812), wk = 0.0028736 k( 322) = ( 0.5191069 0.1580402 -0.0185379), wk = 0.0028736 k( 323) = ( 0.5159224 0.1570707 0.0001054), wk = 0.0028736 k( 324) = ( 0.5127379 0.1561012 0.0187486), wk = 0.0028736 k( 325) = ( 0.5095534 0.1551317 0.0373919), wk = 0.0028736 k( 326) = ( 0.5063690 0.1541621 0.0560352), wk = 0.0028736 k( 327) = ( 0.5031845 0.1531926 0.0746785), wk = 0.0028736 k( 328) = ( 0.5000000 0.1522231 0.0933217), wk = 0.0028736 k( 329) = ( 0.5000000 -0.7450514 -0.4567603), wk = 0.0028736 k( 330) = ( 0.5164252 -0.7370396 -0.4518486), wk = 0.0028736 k( 331) = ( 0.5328505 -0.7290279 -0.4469370), wk = 0.0028736 k( 332) = ( 0.5492757 -0.7210161 -0.4420253), wk = 0.0028736 k( 333) = ( 0.5657009 -0.7130044 -0.4371136), wk = 0.0028736 k( 334) = ( 0.5821262 -0.7049926 -0.4322020), wk = 0.0028736 k( 335) = ( 0.5985514 -0.6969809 -0.4272903), wk = 0.0028736 k( 336) = ( 0.6149766 -0.6889692 -0.4223786), wk = 0.0028736 k( 337) = ( 0.6314019 -0.6809574 -0.4174669), wk = 0.0028736 k( 338) = ( 0.6478271 -0.6729457 -0.4125553), wk = 0.0028736 k( 339) = ( 0.6642523 -0.6649339 -0.4076436), wk = 0.0028736 k( 340) = ( 0.6806776 -0.6569222 -0.4027319), wk = 0.0028736 k( 341) = ( 0.6971028 -0.6489104 -0.3978203), wk = 0.0028736 k( 342) = ( 0.7135280 -0.6408987 -0.3929086), wk = 0.0028736 k( 343) = ( 0.7299533 -0.6328870 -0.3879969), wk = 0.0028736 k( 344) = ( 0.7463785 -0.6248752 -0.3830852), wk = 0.0028736 k( 345) = ( 0.7628037 -0.6168635 -0.3781736), wk = 0.0028736 k( 346) = ( 0.7792290 -0.6088517 -0.3732619), wk = 0.0028736 k( 347) = ( 0.7956542 -0.6008400 -0.3683502), wk = 0.0028736 k( 348) = ( 0.8120795 -0.5928282 -0.3634386), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0094340 -0.0000000 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0188679 -0.0000000 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0283019 -0.0000000 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0377359 -0.0000000 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0471698 -0.0000000 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0566038 -0.0000000 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0660377 -0.0000000 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0754717 -0.0000000 -0.0000000), wk = 0.0028736 k( 10) = ( 0.0849057 -0.0000000 -0.0000000), wk = 0.0028736 k( 11) = ( 0.0943396 -0.0000000 -0.0000000), wk = 0.0028736 k( 12) = ( 0.1037736 -0.0000000 -0.0000000), wk = 0.0028736 k( 13) = ( 0.1132076 -0.0000000 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1226415 -0.0000000 -0.0000000), wk = 0.0028736 k( 15) = ( 0.1320755 -0.0000000 -0.0000000), wk = 0.0028736 k( 16) = ( 0.1415094 -0.0000000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1509434 -0.0000000 -0.0000000), wk = 0.0028736 k( 18) = ( 0.1603774 -0.0000000 -0.0000000), wk = 0.0028736 k( 19) = ( 0.1698113 -0.0000000 -0.0000000), wk = 0.0028736 k( 20) = ( 0.1792453 -0.0000000 -0.0000000), wk = 0.0028736 k( 21) = ( 0.1886792 0.0000000 -0.0000000), wk = 0.0028736 k( 22) = ( 0.1981132 -0.0000000 -0.0000000), wk = 0.0028736 k( 23) = ( 0.2075472 -0.0000000 -0.0000000), wk = 0.0028736 k( 24) = ( 0.2169811 -0.0000000 -0.0000000), wk = 0.0028736 k( 25) = ( 0.2264151 -0.0000000 0.0000000), wk = 0.0028736 k( 26) = ( 0.2358491 -0.0000000 -0.0000000), wk = 0.0028736 k( 27) = ( 0.2452830 -0.0000000 -0.0000000), wk = 0.0028736 k( 28) = ( 0.2547170 0.0000000 -0.0000000), wk = 0.0028736 k( 29) = ( 0.2641509 -0.0000000 -0.0000000), wk = 0.0028736 k( 30) = ( 0.2735849 -0.0000000 -0.0000000), wk = 0.0028736 k( 31) = ( 0.2830189 -0.0000000 -0.0000000), wk = 0.0028736 k( 32) = ( 0.2924528 -0.0000000 -0.0000000), wk = 0.0028736 k( 33) = ( 0.3018868 -0.0000000 -0.0000000), wk = 0.0028736 k( 34) = ( 0.3113207 -0.0000000 -0.0000000), wk = 0.0028736 k( 35) = ( 0.3207547 -0.0000000 -0.0000000), wk = 0.0028736 k( 36) = ( 0.3301887 -0.0000000 -0.0000000), wk = 0.0028736 k( 37) = ( 0.3396226 -0.0000000 -0.0000000), wk = 0.0028736 k( 38) = ( 0.3490566 -0.0000000 -0.0000000), wk = 0.0028736 k( 39) = ( 0.3584906 -0.0000000 -0.0000000), wk = 0.0028736 k( 40) = ( 0.3679245 -0.0000000 -0.0000000), wk = 0.0028736 k( 41) = ( 0.3773585 -0.0000000 -0.0000000), wk = 0.0028736 k( 42) = ( 0.3867925 -0.0000000 -0.0000000), wk = 0.0028736 k( 43) = ( 0.3962264 -0.0000000 -0.0000000), wk = 0.0028736 k( 44) = ( 0.4056604 -0.0000000 -0.0000000), wk = 0.0028736 k( 45) = ( 0.4150943 -0.0000000 -0.0000000), wk = 0.0028736 k( 46) = ( 0.4245283 -0.0000000 -0.0000000), wk = 0.0028736 k( 47) = ( 0.4339623 -0.0000000 -0.0000000), wk = 0.0028736 k( 48) = ( 0.4433962 -0.0000000 -0.0000000), wk = 0.0028736 k( 49) = ( 0.4528302 -0.0000000 -0.0000000), wk = 0.0028736 k( 50) = ( 0.4622641 -0.0000000 -0.0000000), wk = 0.0028736 k( 51) = ( 0.4716981 -0.0000000 -0.0000000), wk = 0.0028736 k( 52) = ( 0.4811321 0.0000000 -0.0000000), wk = 0.0028736 k( 53) = ( 0.4905660 -0.0000000 -0.0000000), wk = 0.0028736 k( 54) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 55) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 56) = ( 0.5000000 0.0055271 -0.0055271), wk = 0.0028736 k( 57) = ( 0.5000000 0.0110541 -0.0110542), wk = 0.0028736 k( 58) = ( 0.5000000 0.0165812 -0.0165812), wk = 0.0028736 k( 59) = ( 0.5000000 0.0221083 -0.0221083), wk = 0.0028736 k( 60) = ( 0.5000000 0.0276354 -0.0276354), wk = 0.0028736 k( 61) = ( 0.5000000 0.0331624 -0.0331625), wk = 0.0028736 k( 62) = ( 0.5000000 0.0386895 -0.0386895), wk = 0.0028736 k( 63) = ( 0.5000000 0.0442166 -0.0442166), wk = 0.0028736 k( 64) = ( 0.5000000 0.0497437 -0.0497437), wk = 0.0028736 k( 65) = ( 0.5000000 0.0552707 -0.0552708), wk = 0.0028736 k( 66) = ( 0.5000000 0.0607978 -0.0607978), wk = 0.0028736 k( 67) = ( 0.5000000 0.0663249 -0.0663249), wk = 0.0028736 k( 68) = ( 0.5000000 0.0718520 -0.0718520), wk = 0.0028736 k( 69) = ( 0.5000000 0.0773791 -0.0773791), wk = 0.0028736 k( 70) = ( 0.5000000 0.0829061 -0.0829061), wk = 0.0028736 k( 71) = ( 0.5000000 0.0884332 -0.0884332), wk = 0.0028736 k( 72) = ( 0.5000000 0.0939603 -0.0939603), wk = 0.0028736 k( 73) = ( 0.5000000 0.0994873 -0.0994874), wk = 0.0028736 k( 74) = ( 0.5000000 0.1050144 -0.1050144), wk = 0.0028736 k( 75) = ( 0.5000000 0.1105415 -0.1105415), wk = 0.0028736 k( 76) = ( 0.5000000 0.1160686 -0.1160686), wk = 0.0028736 k( 77) = ( 0.5000000 0.1215956 -0.1215956), wk = 0.0028736 k( 78) = ( 0.5000000 0.1271227 -0.1271227), wk = 0.0028736 k( 79) = ( 0.5000000 0.1326498 -0.1326498), wk = 0.0028736 k( 80) = ( 0.5000000 0.1381769 -0.1381769), wk = 0.0028736 k( 81) = ( 0.5000000 0.1437039 -0.1437040), wk = 0.0028736 k( 82) = ( 0.5000000 0.1492310 -0.1492310), wk = 0.0028736 k( 83) = ( 0.5000000 0.1547581 -0.1547581), wk = 0.0028736 k( 84) = ( 0.5000000 0.1602852 -0.1602852), wk = 0.0028736 k( 85) = ( 0.5000000 0.1658122 -0.1658122), wk = 0.0028736 k( 86) = ( 0.5000000 0.1713393 -0.1713393), wk = 0.0028736 k( 87) = ( 0.5000000 0.1768664 -0.1768664), wk = 0.0028736 k( 88) = ( 0.5000000 0.1823935 -0.1823935), wk = 0.0028736 k( 89) = ( 0.5000000 0.1879205 -0.1879206), wk = 0.0028736 k( 90) = ( 0.8120795 0.5000000 0.1879205), wk = 0.0028736 k( 91) = ( 0.8065066 0.5000000 0.1934934), wk = 0.0028736 k( 92) = ( 0.8009337 0.5000000 0.1990662), wk = 0.0028736 k( 93) = ( 0.7953609 0.5000000 0.2046391), wk = 0.0028736 k( 94) = ( 0.7897881 0.5000000 0.2102119), wk = 0.0028736 k( 95) = ( 0.7842152 0.5000000 0.2157848), wk = 0.0028736 k( 96) = ( 0.7786424 0.5000000 0.2213576), wk = 0.0028736 k( 97) = ( 0.7730695 0.5000000 0.2269305), wk = 0.0028736 k( 98) = ( 0.7674967 0.5000000 0.2325033), wk = 0.0028736 k( 99) = ( 0.7619238 0.5000000 0.2380762), wk = 0.0028736 k( 100) = ( 0.7563510 0.5000000 0.2436490), wk = 0.0028736 k( 101) = ( 0.7507781 0.5000000 0.2492219), wk = 0.0028736 k( 102) = ( 0.7452053 0.5000000 0.2547947), wk = 0.0028736 k( 103) = ( 0.7396324 0.5000000 0.2603676), wk = 0.0028736 k( 104) = ( 0.7340596 0.5000000 0.2659404), wk = 0.0028736 k( 105) = ( 0.7284867 0.5000000 0.2715133), wk = 0.0028736 k( 106) = ( 0.7229139 0.5000000 0.2770861), wk = 0.0028736 k( 107) = ( 0.7173410 0.5000000 0.2826590), wk = 0.0028736 k( 108) = ( 0.7117682 0.5000000 0.2882318), wk = 0.0028736 k( 109) = ( 0.7061953 0.5000000 0.2938047), wk = 0.0028736 k( 110) = ( 0.7006225 0.5000000 0.2993775), wk = 0.0028736 k( 111) = ( 0.6950496 0.5000000 0.3049503), wk = 0.0028736 k( 112) = ( 0.6894768 0.5000000 0.3105232), wk = 0.0028736 k( 113) = ( 0.6839040 0.5000000 0.3160960), wk = 0.0028736 k( 114) = ( 0.6783311 0.5000000 0.3216689), wk = 0.0028736 k( 115) = ( 0.6727583 0.5000000 0.3272417), wk = 0.0028736 k( 116) = ( 0.6671854 0.5000000 0.3328146), wk = 0.0028736 k( 117) = ( 0.6616126 0.5000000 0.3383874), wk = 0.0028736 k( 118) = ( 0.6560397 0.5000000 0.3439603), wk = 0.0028736 k( 119) = ( 0.6504669 0.5000000 0.3495331), wk = 0.0028736 k( 120) = ( 0.6448940 0.5000000 0.3551060), wk = 0.0028736 k( 121) = ( 0.6393212 0.5000000 0.3606788), wk = 0.0028736 k( 122) = ( 0.6337483 0.5000000 0.3662517), wk = 0.0028736 k( 123) = ( 0.6281755 0.5000000 0.3718245), wk = 0.0028736 k( 124) = ( 0.6226026 0.5000000 0.3773974), wk = 0.0028736 k( 125) = ( 0.6170298 0.5000000 0.3829702), wk = 0.0028736 k( 126) = ( 0.6114569 0.5000000 0.3885431), wk = 0.0028736 k( 127) = ( 0.6058841 0.5000000 0.3941159), wk = 0.0028736 k( 128) = ( 0.6003112 0.5000000 0.3996887), wk = 0.0028736 k( 129) = ( 0.5947384 0.5000000 0.4052616), wk = 0.0028736 k( 130) = ( 0.5891656 0.5000000 0.4108344), wk = 0.0028736 k( 131) = ( 0.5835927 0.5000000 0.4164073), wk = 0.0028736 k( 132) = ( 0.5780199 0.5000000 0.4219801), wk = 0.0028736 k( 133) = ( 0.5724470 0.5000000 0.4275530), wk = 0.0028736 k( 134) = ( 0.5668742 0.5000000 0.4331258), wk = 0.0028736 k( 135) = ( 0.5613013 0.5000000 0.4386987), wk = 0.0028736 k( 136) = ( 0.5557285 0.5000000 0.4442715), wk = 0.0028736 k( 137) = ( 0.5501556 0.5000000 0.4498444), wk = 0.0028736 k( 138) = ( 0.5445828 0.5000000 0.4554172), wk = 0.0028736 k( 139) = ( 0.5390099 0.5000000 0.4609901), wk = 0.0028736 k( 140) = ( 0.5334371 0.5000000 0.4665629), wk = 0.0028736 k( 141) = ( 0.5278642 0.5000000 0.4721358), wk = 0.0028736 k( 142) = ( 0.5222914 0.5000000 0.4777086), wk = 0.0028736 k( 143) = ( 0.5167185 0.5000000 0.4832815), wk = 0.0028736 k( 144) = ( 0.5111457 0.5000000 0.4888543), wk = 0.0028736 k( 145) = ( 0.5055728 0.5000000 0.4944271), wk = 0.0028736 k( 146) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 148) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0028736 k( 149) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0028736 k( 150) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0028736 k( 151) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0028736 k( 152) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0028736 k( 153) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0028736 k( 154) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0028736 k( 155) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0028736 k( 156) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0028736 k( 157) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0028736 k( 158) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0028736 k( 159) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0028736 k( 160) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0028736 k( 161) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028736 k( 162) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0028736 k( 163) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0028736 k( 164) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0028736 k( 165) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0028736 k( 166) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0028736 k( 167) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0028736 k( 168) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0028736 k( 169) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0028736 k( 170) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0028736 k( 171) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0028736 k( 172) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0028736 k( 173) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0028736 k( 174) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0028736 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 177) = ( 0.0055477 -0.0000000 -0.0055478), wk = 0.0028736 k( 178) = ( 0.0110955 -0.0000000 -0.0110955), wk = 0.0028736 k( 179) = ( 0.0166432 -0.0000000 -0.0166432), wk = 0.0028736 k( 180) = ( 0.0221910 -0.0000000 -0.0221910), wk = 0.0028736 k( 181) = ( 0.0277387 -0.0000000 -0.0277387), wk = 0.0028736 k( 182) = ( 0.0332865 -0.0000000 -0.0332865), wk = 0.0028736 k( 183) = ( 0.0388342 -0.0000000 -0.0388342), wk = 0.0028736 k( 184) = ( 0.0443820 -0.0000000 -0.0443820), wk = 0.0028736 k( 185) = ( 0.0499297 -0.0000000 -0.0499297), wk = 0.0028736 k( 186) = ( 0.0554775 -0.0000000 -0.0554775), wk = 0.0028736 k( 187) = ( 0.0610252 -0.0000000 -0.0610252), wk = 0.0028736 k( 188) = ( 0.0665730 -0.0000000 -0.0665730), wk = 0.0028736 k( 189) = ( 0.0721207 -0.0000000 -0.0721207), wk = 0.0028736 k( 190) = ( 0.0776684 -0.0000000 -0.0776685), wk = 0.0028736 k( 191) = ( 0.0832162 -0.0000000 -0.0832162), wk = 0.0028736 k( 192) = ( 0.0887639 -0.0000000 -0.0887639), wk = 0.0028736 k( 193) = ( 0.0943117 -0.0000000 -0.0943117), wk = 0.0028736 k( 194) = ( 0.0998594 -0.0000000 -0.0998594), wk = 0.0028736 k( 195) = ( 0.1054072 -0.0000000 -0.1054072), wk = 0.0028736 k( 196) = ( 0.1109549 0.0000000 -0.1109549), wk = 0.0028736 k( 197) = ( 0.1165027 0.0000000 -0.1165027), wk = 0.0028736 k( 198) = ( 0.1220504 -0.0000000 -0.1220504), wk = 0.0028736 k( 199) = ( 0.1275982 -0.0000000 -0.1275982), wk = 0.0028736 k( 200) = ( 0.1331459 -0.0000000 -0.1331459), wk = 0.0028736 k( 201) = ( 0.1386937 -0.0000000 -0.1386937), wk = 0.0028736 k( 202) = ( 0.1442414 -0.0000000 -0.1442414), wk = 0.0028736 k( 203) = ( 0.1497892 -0.0000000 -0.1497892), wk = 0.0028736 k( 204) = ( 0.1553369 -0.0000000 -0.1553369), wk = 0.0028736 k( 205) = ( 0.1608846 -0.0000000 -0.1608847), wk = 0.0028736 k( 206) = ( 0.1664324 -0.0000000 -0.1664324), wk = 0.0028736 k( 207) = ( 0.1719801 0.0000000 -0.1719801), wk = 0.0028736 k( 208) = ( 0.1775279 -0.0000000 -0.1775279), wk = 0.0028736 k( 209) = ( 0.1830756 -0.0000000 -0.1830756), wk = 0.0028736 k( 210) = ( 0.1886234 -0.0000000 -0.1886234), wk = 0.0028736 k( 211) = ( 0.1941711 -0.0000000 -0.1941711), wk = 0.0028736 k( 212) = ( 0.1997189 -0.0000000 -0.1997189), wk = 0.0028736 k( 213) = ( 0.2052666 -0.0000000 -0.2052666), wk = 0.0028736 k( 214) = ( 0.2108144 -0.0000000 -0.2108144), wk = 0.0028736 k( 215) = ( 0.2163621 0.0000000 -0.2163621), wk = 0.0028736 k( 216) = ( 0.2219099 0.0000000 -0.2219099), wk = 0.0028736 k( 217) = ( 0.2274576 0.0000000 -0.2274576), wk = 0.0028736 k( 218) = ( 0.2330053 -0.0000000 -0.2330054), wk = 0.0028736 k( 219) = ( 0.2385531 -0.0000000 -0.2385531), wk = 0.0028736 k( 220) = ( 0.2441008 -0.0000000 -0.2441008), wk = 0.0028736 k( 221) = ( 0.2496486 -0.0000000 -0.2496486), wk = 0.0028736 k( 222) = ( 0.2551963 -0.0000000 -0.2551963), wk = 0.0028736 k( 223) = ( 0.2607441 -0.0000000 -0.2607441), wk = 0.0028736 k( 224) = ( 0.2662918 -0.0000000 -0.2662918), wk = 0.0028736 k( 225) = ( 0.2718396 -0.0000000 -0.2718396), wk = 0.0028736 k( 226) = ( 0.2773873 -0.0000000 -0.2773873), wk = 0.0028736 k( 227) = ( 0.2829351 -0.0000000 -0.2829351), wk = 0.0028736 k( 228) = ( 0.2884828 -0.0000000 -0.2884828), wk = 0.0028736 k( 229) = ( 0.2940306 -0.0000000 -0.2940306), wk = 0.0028736 k( 230) = ( 0.2995783 -0.0000000 -0.2995783), wk = 0.0028736 k( 231) = ( 0.3051260 0.0000000 -0.3051261), wk = 0.0028736 k( 232) = ( 0.3106738 -0.0000000 -0.3106738), wk = 0.0028736 k( 233) = ( 0.3162215 -0.0000000 -0.3162215), wk = 0.0028736 k( 234) = ( 0.3217693 -0.0000000 -0.3217693), wk = 0.0028736 k( 235) = ( 0.3273170 -0.0000000 -0.3273170), wk = 0.0028736 k( 236) = ( 0.3328648 -0.0000000 -0.3328648), wk = 0.0028736 k( 237) = ( 0.3384125 -0.0000000 -0.3384125), wk = 0.0028736 k( 238) = ( 0.3439603 0.0000000 -0.3439603), wk = 0.0028736 k( 239) = ( 0.6560397 0.3439603 -0.0000000), wk = 0.0028736 k( 240) = ( 0.6504669 0.3495331 -0.0000000), wk = 0.0028736 k( 241) = ( 0.6448940 0.3551060 -0.0000000), wk = 0.0028736 k( 242) = ( 0.6393212 0.3606788 -0.0000000), wk = 0.0028736 k( 243) = ( 0.6337483 0.3662517 -0.0000000), wk = 0.0028736 k( 244) = ( 0.6281755 0.3718245 -0.0000000), wk = 0.0028736 k( 245) = ( 0.6226026 0.3773974 -0.0000000), wk = 0.0028736 k( 246) = ( 0.6170298 0.3829702 -0.0000000), wk = 0.0028736 k( 247) = ( 0.6114569 0.3885430 -0.0000000), wk = 0.0028736 k( 248) = ( 0.6058841 0.3941159 -0.0000000), wk = 0.0028736 k( 249) = ( 0.6003112 0.3996887 -0.0000000), wk = 0.0028736 k( 250) = ( 0.5947384 0.4052616 -0.0000000), wk = 0.0028736 k( 251) = ( 0.5891656 0.4108344 -0.0000000), wk = 0.0028736 k( 252) = ( 0.5835927 0.4164073 -0.0000000), wk = 0.0028736 k( 253) = ( 0.5780199 0.4219801 -0.0000000), wk = 0.0028736 k( 254) = ( 0.5724470 0.4275530 -0.0000000), wk = 0.0028736 k( 255) = ( 0.5668742 0.4331258 -0.0000000), wk = 0.0028736 k( 256) = ( 0.5613013 0.4386987 -0.0000000), wk = 0.0028736 k( 257) = ( 0.5557285 0.4442715 -0.0000000), wk = 0.0028736 k( 258) = ( 0.5501556 0.4498444 -0.0000000), wk = 0.0028736 k( 259) = ( 0.5445828 0.4554172 -0.0000000), wk = 0.0028736 k( 260) = ( 0.5390099 0.4609901 -0.0000000), wk = 0.0028736 k( 261) = ( 0.5334371 0.4665629 -0.0000000), wk = 0.0028736 k( 262) = ( 0.5278642 0.4721358 -0.0000000), wk = 0.0028736 k( 263) = ( 0.5222914 0.4777086 -0.0000000), wk = 0.0028736 k( 264) = ( 0.5167185 0.4832815 -0.0000000), wk = 0.0028736 k( 265) = ( 0.5111457 0.4888543 -0.0000000), wk = 0.0028736 k( 266) = ( 0.5055728 0.4944271 -0.0000000), wk = 0.0028736 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 268) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 269) = ( 0.5156040 0.5156040 0.0187921), wk = 0.0028736 k( 270) = ( 0.5312079 0.5312079 0.0375841), wk = 0.0028736 k( 271) = ( 0.5468119 0.5468119 0.0563762), wk = 0.0028736 k( 272) = ( 0.5624159 0.5624159 0.0751682), wk = 0.0028736 k( 273) = ( 0.5780199 0.5780199 0.0939603), wk = 0.0028736 k( 274) = ( 0.5936238 0.5936238 0.1127523), wk = 0.0028736 k( 275) = ( 0.6092278 0.6092278 0.1315444), wk = 0.0028736 k( 276) = ( 0.6248318 0.6248318 0.1503364), wk = 0.0028736 k( 277) = ( 0.6404357 0.6404357 0.1691285), wk = 0.0028736 k( 278) = ( 0.6560397 0.6560397 0.1879205), wk = 0.0028736 k( 279) = ( 0.6560397 0.6560397 0.1879205), wk = 0.0028736 k( 280) = ( 0.6528552 0.6528552 0.1942895), wk = 0.0028736 k( 281) = ( 0.6496707 0.6496707 0.2006585), wk = 0.0028736 k( 282) = ( 0.6464863 0.6464863 0.2070275), wk = 0.0028736 k( 283) = ( 0.6433018 0.6433018 0.2133964), wk = 0.0028736 k( 284) = ( 0.6401173 0.6401173 0.2197654), wk = 0.0028736 k( 285) = ( 0.6369328 0.6369328 0.2261344), wk = 0.0028736 k( 286) = ( 0.6337483 0.6337483 0.2325033), wk = 0.0028736 k( 287) = ( 0.6305639 0.6305639 0.2388723), wk = 0.0028736 k( 288) = ( 0.6273794 0.6273794 0.2452413), wk = 0.0028736 k( 289) = ( 0.6241949 0.6241949 0.2516102), wk = 0.0028736 k( 290) = ( 0.6210104 0.6210104 0.2579792), wk = 0.0028736 k( 291) = ( 0.6178259 0.6178259 0.2643482), wk = 0.0028736 k( 292) = ( 0.6146414 0.6146414 0.2707171), wk = 0.0028736 k( 293) = ( 0.6114569 0.6114569 0.2770861), wk = 0.0028736 k( 294) = ( 0.6082725 0.6082725 0.2834551), wk = 0.0028736 k( 295) = ( 0.6050880 0.6050880 0.2898241), wk = 0.0028736 k( 296) = ( 0.6019035 0.6019035 0.2961930), wk = 0.0028736 k( 297) = ( 0.5987190 0.5987190 0.3025620), wk = 0.0028736 k( 298) = ( 0.5955345 0.5955345 0.3089309), wk = 0.0028736 k( 299) = ( 0.5923500 0.5923500 0.3152999), wk = 0.0028736 k( 300) = ( 0.5891656 0.5891656 0.3216689), wk = 0.0028736 k( 301) = ( 0.5859811 0.5859811 0.3280379), wk = 0.0028736 k( 302) = ( 0.5827966 0.5827966 0.3344068), wk = 0.0028736 k( 303) = ( 0.5796121 0.5796121 0.3407758), wk = 0.0028736 k( 304) = ( 0.5764276 0.5764276 0.3471448), wk = 0.0028736 k( 305) = ( 0.5732431 0.5732431 0.3535137), wk = 0.0028736 k( 306) = ( 0.5700587 0.5700587 0.3598827), wk = 0.0028736 k( 307) = ( 0.5668742 0.5668742 0.3662517), wk = 0.0028736 k( 308) = ( 0.5636897 0.5636897 0.3726206), wk = 0.0028736 k( 309) = ( 0.5605052 0.5605052 0.3789896), wk = 0.0028736 k( 310) = ( 0.5573207 0.5573207 0.3853586), wk = 0.0028736 k( 311) = ( 0.5541362 0.5541362 0.3917275), wk = 0.0028736 k( 312) = ( 0.5509517 0.5509517 0.3980965), wk = 0.0028736 k( 313) = ( 0.5477673 0.5477673 0.4044655), wk = 0.0028736 k( 314) = ( 0.5445828 0.5445828 0.4108344), wk = 0.0028736 k( 315) = ( 0.5413983 0.5413983 0.4172034), wk = 0.0028736 k( 316) = ( 0.5382138 0.5382138 0.4235724), wk = 0.0028736 k( 317) = ( 0.5350293 0.5350293 0.4299414), wk = 0.0028736 k( 318) = ( 0.5318448 0.5318448 0.4363103), wk = 0.0028736 k( 319) = ( 0.5286604 0.5286604 0.4426793), wk = 0.0028736 k( 320) = ( 0.5254759 0.5254759 0.4490482), wk = 0.0028736 k( 321) = ( 0.5222914 0.5222914 0.4554172), wk = 0.0028736 k( 322) = ( 0.5191069 0.5191069 0.4617862), wk = 0.0028736 k( 323) = ( 0.5159224 0.5159224 0.4681552), wk = 0.0028736 k( 324) = ( 0.5127379 0.5127379 0.4745241), wk = 0.0028736 k( 325) = ( 0.5095534 0.5095534 0.4808931), wk = 0.0028736 k( 326) = ( 0.5063690 0.5063690 0.4872621), wk = 0.0028736 k( 327) = ( 0.5031845 0.5031845 0.4936310), wk = 0.0028736 k( 328) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 329) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 330) = ( 0.5164252 0.0181032 0.0181032), wk = 0.0028736 k( 331) = ( 0.5328505 0.0362063 0.0362063), wk = 0.0028736 k( 332) = ( 0.5492757 0.0543095 0.0543095), wk = 0.0028736 k( 333) = ( 0.5657009 0.0724127 0.0724127), wk = 0.0028736 k( 334) = ( 0.5821262 0.0905159 0.0905159), wk = 0.0028736 k( 335) = ( 0.5985514 0.1086190 0.1086190), wk = 0.0028736 k( 336) = ( 0.6149766 0.1267222 0.1267222), wk = 0.0028736 k( 337) = ( 0.6314019 0.1448254 0.1448254), wk = 0.0028736 k( 338) = ( 0.6478271 0.1629286 0.1629286), wk = 0.0028736 k( 339) = ( 0.6642523 0.1810317 0.1810317), wk = 0.0028736 k( 340) = ( 0.6806776 0.1991349 0.1991349), wk = 0.0028736 k( 341) = ( 0.6971028 0.2172381 0.2172381), wk = 0.0028736 k( 342) = ( 0.7135280 0.2353412 0.2353412), wk = 0.0028736 k( 343) = ( 0.7299533 0.2534444 0.2534444), wk = 0.0028736 k( 344) = ( 0.7463785 0.2715476 0.2715476), wk = 0.0028736 k( 345) = ( 0.7628037 0.2896508 0.2896508), wk = 0.0028736 k( 346) = ( 0.7792290 0.3077539 0.3077539), wk = 0.0028736 k( 347) = ( 0.7956542 0.3258571 0.3258571), wk = 0.0028736 k( 348) = ( 0.8120795 0.3439603 0.3439603), wk = 0.0028736 Dense grid: 40987 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 18173 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 128, 42) NL pseudopotentials 0.09 Mb ( 64, 96) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1139) G-vector shells 0.01 Mb ( 948) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 128, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 96, 2, 42) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./YCuO2.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.6 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 secs Computing kpt #: 13 total cpu time spent up to now is 8.2 secs Computing kpt #: 14 total cpu time spent up to now is 8.6 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 total cpu time spent up to now is 9.6 secs Computing kpt #: 18 total cpu time spent up to now is 10.0 secs Computing kpt #: 19 total cpu time spent up to now is 10.3 secs Computing kpt #: 20 total cpu time spent up to now is 10.7 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.4 secs Computing kpt #: 23 total cpu time spent up to now is 11.8 secs Computing kpt #: 24 total cpu time spent up to now is 12.1 secs Computing kpt #: 25 total cpu time spent up to now is 12.5 secs Computing kpt #: 26 total cpu time spent up to now is 12.9 secs Computing kpt #: 27 total cpu time spent up to now is 13.3 secs Computing kpt #: 28 total cpu time spent up to now is 13.6 secs Computing kpt #: 29 total cpu time spent up to now is 14.0 secs Computing kpt #: 30 total cpu time spent up to now is 14.4 secs Computing kpt #: 31 total cpu time spent up to now is 14.7 secs Computing kpt #: 32 total cpu time spent up to now is 15.1 secs Computing kpt #: 33 total cpu time spent up to now is 15.5 secs Computing kpt #: 34 total cpu time spent up to now is 15.9 secs Computing kpt #: 35 total cpu time spent up to now is 16.3 secs Computing kpt #: 36 total cpu time spent up to now is 16.7 secs Computing kpt #: 37 total cpu time spent up to now is 17.1 secs Computing kpt #: 38 total cpu time spent up to now is 17.4 secs Computing kpt #: 39 total cpu time spent up to now is 17.8 secs Computing kpt #: 40 total cpu time spent up to now is 18.2 secs Computing kpt #: 41 total cpu time spent up to now is 18.6 secs Computing kpt #: 42 total cpu time spent up to now is 19.0 secs Computing kpt #: 43 total cpu time spent up to now is 19.3 secs Computing kpt #: 44 total cpu time spent up to now is 19.7 secs Computing kpt #: 45 total cpu time spent up to now is 20.1 secs Computing kpt #: 46 total cpu time spent up to now is 20.5 secs Computing kpt #: 47 total cpu time spent up to now is 20.9 secs Computing kpt #: 48 total cpu time spent up to now is 21.3 secs Computing kpt #: 49 total cpu time spent up to now is 21.7 secs Computing kpt #: 50 total cpu time spent up to now is 22.1 secs Computing kpt #: 51 total cpu time spent up to now is 22.5 secs Computing kpt #: 52 total cpu time spent up to now is 22.9 secs Computing kpt #: 53 total cpu time spent up to now is 23.3 secs Computing kpt #: 54 total cpu time spent up to now is 23.7 secs Computing kpt #: 55 total cpu time spent up to now is 24.0 secs Computing kpt #: 56 total cpu time spent up to now is 24.4 secs Computing kpt #: 57 total cpu time spent up to now is 24.8 secs Computing kpt #: 58 total cpu time spent up to now is 25.2 secs Computing kpt #: 59 total cpu time spent up to now is 25.6 secs Computing kpt #: 60 total cpu time spent up to now is 26.0 secs Computing kpt #: 61 total cpu time spent up to now is 26.4 secs Computing kpt #: 62 total cpu time spent up to now is 26.8 secs Computing kpt #: 63 total cpu time spent up to now is 27.2 secs Computing kpt #: 64 total cpu time spent up to now is 27.6 secs Computing kpt #: 65 total cpu time spent up to now is 28.0 secs Computing kpt #: 66 total cpu time spent up to now is 28.4 secs Computing kpt #: 67 total cpu time spent up to now is 28.8 secs Computing kpt #: 68 total cpu time spent up to now is 29.3 secs Computing kpt #: 69 total cpu time spent up to now is 29.8 secs Computing kpt #: 70 total cpu time spent up to now is 30.3 secs Computing kpt #: 71 total cpu time spent up to now is 30.7 secs Computing kpt #: 72 total cpu time spent up to now is 31.2 secs Computing kpt #: 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37.7 secs Computing kpt #: 89 total cpu time spent up to now is 38.1 secs Computing kpt #: 90 total cpu time spent up to now is 38.5 secs Computing kpt #: 91 total cpu time spent up to now is 38.9 secs Computing kpt #: 92 total cpu time spent up to now is 39.3 secs Computing kpt #: 93 total cpu time spent up to now is 39.7 secs Computing kpt #: 94 total cpu time spent up to now is 40.1 secs Computing kpt #: 95 total cpu time spent up to now is 40.5 secs Computing kpt #: 96 total cpu time spent up to now is 40.9 secs Computing kpt #: 97 total cpu time spent up to now is 41.2 secs Computing kpt #: 98 total cpu time spent up to now is 41.6 secs Computing kpt #: 99 total cpu time spent up to now is 42.0 secs Computing kpt #: 100 total cpu time spent up to now is 42.4 secs Computing kpt #: 101 total cpu time spent up to now is 42.8 secs Computing kpt #: 102 total cpu time spent up to now is 43.2 secs Computing kpt #: 103 total cpu time spent up to now is 43.6 secs Computing kpt #: 104 total cpu time spent up to now is 44.0 secs Computing kpt #: 105 total cpu time spent up to now is 44.3 secs Computing kpt #: 106 total cpu time spent up to now is 44.7 secs Computing kpt #: 107 total cpu time spent up to now is 45.1 secs Computing kpt #: 108 total cpu time spent up to now is 45.5 secs Computing kpt #: 109 total cpu time spent up to now is 45.9 secs Computing kpt #: 110 total cpu time spent up to now is 46.4 secs Computing kpt #: 111 total cpu time spent up to now is 46.8 secs Computing kpt #: 112 total cpu time spent up to now is 47.2 secs Computing kpt #: 113 total cpu time spent up to now is 47.6 secs Computing kpt #: 114 total cpu time spent up to now is 48.0 secs Computing kpt #: 115 total cpu time spent up to now is 48.3 secs Computing kpt #: 116 total cpu time spent up to now is 48.7 secs Computing kpt #: 117 total cpu time spent up to now is 49.1 secs Computing kpt #: 118 total cpu time spent up to now is 49.5 secs Computing kpt #: 119 total cpu time spent up to now is 49.9 secs Computing kpt #: 120 total cpu time spent up to now is 50.3 secs Computing kpt #: 121 total cpu time spent up to now is 50.7 secs Computing kpt #: 122 total cpu time spent up to now is 51.1 secs Computing kpt #: 123 total cpu time spent up to now is 51.4 secs Computing kpt #: 124 total cpu time spent up to now is 51.8 secs Computing kpt #: 125 total cpu time spent up to now is 52.2 secs Computing kpt #: 126 total cpu time spent up to now is 52.6 secs Computing kpt #: 127 total cpu time spent up to now is 53.0 secs Computing kpt #: 128 total cpu time spent up to now is 53.4 secs Computing kpt #: 129 total cpu time spent up to now is 53.7 secs Computing kpt #: 130 total cpu time spent up to now is 54.1 secs Computing kpt #: 131 total cpu time spent up to now is 54.5 secs Computing kpt #: 132 total cpu time spent up to now is 54.8 secs Computing kpt #: 133 total cpu time spent up to now is 55.2 secs Computing kpt #: 134 total cpu time spent up to now is 55.5 secs Computing kpt #: 135 total cpu time spent up to now is 55.9 secs Computing kpt #: 136 total cpu time spent up to now is 56.3 secs Computing kpt #: 137 total cpu time spent up to now is 56.6 secs Computing kpt #: 138 total cpu time spent up to now is 57.0 secs Computing kpt #: 139 total cpu time spent up to now is 57.3 secs Computing kpt #: 140 total cpu time spent up to now is 57.7 secs Computing kpt #: 141 total cpu time spent up to now is 58.1 secs Computing kpt #: 142 total cpu time spent up to now is 58.4 secs Computing kpt #: 143 total cpu time spent up to now is 58.8 secs Computing kpt #: 144 total cpu time spent up to now is 59.1 secs Computing kpt #: 145 total cpu time spent up to now is 59.5 secs Computing kpt #: 146 total cpu time spent up to now is 59.8 secs Computing kpt #: 147 total cpu time spent up to now is 60.2 secs Computing kpt #: 148 total cpu time spent up to now is 60.6 secs Computing kpt #: 149 total cpu time spent up to now is 60.9 secs Computing kpt #: 150 total cpu time spent up to now is 61.3 secs Computing kpt #: 151 total cpu time spent up to now is 61.6 secs Computing kpt #: 152 total cpu time spent up to now is 62.0 secs Computing kpt #: 153 total cpu time spent up to now is 62.4 secs Computing kpt #: 154 total cpu time spent up to now is 62.7 secs Computing kpt #: 155 total cpu time spent up to now is 63.1 secs Computing kpt #: 156 total cpu time spent up to now is 63.4 secs Computing kpt #: 157 total cpu time spent up to now is 63.8 secs Computing kpt #: 158 total cpu time spent up to now is 64.2 secs Computing kpt #: 159 total cpu time spent up to now is 64.5 secs Computing kpt #: 160 total cpu time spent up to now is 64.9 secs Computing kpt #: 161 total cpu time spent up to now is 65.2 secs Computing kpt #: 162 total cpu time spent up to now is 65.6 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 66.7 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 67.4 secs Computing kpt #: 168 total cpu time spent up to now is 67.8 secs Computing kpt #: 169 total cpu time spent up to now is 68.1 secs Computing kpt #: 170 total cpu time spent up to now is 68.5 secs Computing kpt #: 171 total cpu time spent up to now is 68.8 secs Computing kpt #: 172 total cpu time spent up to now is 69.2 secs Computing kpt #: 173 total cpu time spent up to now is 69.5 secs Computing kpt #: 174 total cpu time spent up to now is 69.8 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 70.5 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 71.4 secs Computing kpt #: 180 total cpu time spent up to now is 71.7 secs Computing kpt #: 181 total cpu time spent up to now is 72.1 secs Computing kpt #: 182 total cpu time spent up to now is 72.4 secs Computing kpt #: 183 total cpu time spent up to now is 72.7 secs Computing kpt #: 184 total cpu time spent up to now is 73.1 secs Computing kpt #: 185 total cpu time spent up to now is 73.4 secs Computing kpt #: 186 total cpu time spent up to now is 73.8 secs Computing kpt #: 187 total cpu time spent up to now is 74.1 secs Computing kpt #: 188 total cpu time spent up to now is 74.4 secs Computing kpt #: 189 total cpu time spent up to now is 74.8 secs Computing kpt #: 190 total cpu time spent up to now is 75.1 secs Computing kpt #: 191 total cpu time spent up to now is 75.5 secs Computing kpt #: 192 total cpu time spent up to now is 75.8 secs Computing kpt #: 193 total cpu time spent up to now is 76.1 secs Computing kpt #: 194 total cpu time spent up to now is 76.5 secs Computing kpt #: 195 total cpu time spent up to now is 76.8 secs Computing kpt #: 196 total cpu time spent up to now is 77.2 secs Computing kpt #: 197 total cpu time spent up to now is 77.5 secs Computing kpt #: 198 total cpu time spent up to now is 77.9 secs Computing kpt #: 199 total cpu time spent up to now is 78.2 secs Computing kpt #: 200 total cpu time spent up to now is 78.6 secs Computing kpt #: 201 total cpu time spent up to now is 78.9 secs Computing kpt #: 202 total cpu time spent up to now is 79.3 secs Computing kpt #: 203 total cpu time spent up to now is 79.6 secs Computing kpt #: 204 total cpu time spent up to now is 80.0 secs Computing kpt #: 205 total cpu time spent up to now is 80.3 secs Computing kpt #: 206 total cpu time spent up to now is 80.7 secs Computing kpt #: 207 total cpu time spent up to now is 81.0 secs Computing kpt #: 208 total cpu time spent up to now is 81.4 secs Computing kpt #: 209 total cpu time spent up to now is 81.8 secs Computing kpt #: 210 total cpu time spent up to now is 82.1 secs Computing kpt #: 211 total cpu time spent up to now is 82.5 secs Computing kpt #: 212 total cpu time spent up to now is 82.8 secs Computing kpt #: 213 total cpu time spent up to now is 83.2 secs Computing kpt #: 214 total cpu time spent up to now is 83.6 secs Computing kpt #: 215 total cpu time spent up to now is 84.0 secs Computing kpt #: 216 total cpu time spent up to now is 84.3 secs Computing kpt #: 217 total cpu time spent up to now is 84.7 secs Computing kpt #: 218 total cpu time spent up to now is 85.1 secs Computing kpt #: 219 total cpu time spent up to now is 85.5 secs Computing kpt #: 220 total cpu time spent up to now is 85.9 secs Computing kpt #: 221 total cpu time spent up to now is 86.3 secs Computing kpt #: 222 total cpu time spent up to now is 86.8 secs Computing kpt #: 223 total cpu time spent up to now is 87.2 secs Computing kpt #: 224 total cpu time spent up to now is 87.7 secs Computing kpt #: 225 total cpu time spent up to now is 88.1 secs Computing kpt #: 226 total cpu time spent up to now is 88.6 secs Computing kpt #: 227 total cpu time spent up to now is 89.0 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 89.8 secs Computing kpt #: 230 total cpu time spent up to now is 90.2 secs Computing kpt #: 231 total cpu time spent up to now is 90.6 secs Computing kpt #: 232 total cpu time spent up to now is 91.0 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 92.7 secs Computing kpt #: 237 total cpu time spent up to now is 93.1 secs Computing kpt #: 238 total cpu time spent up to now is 93.6 secs Computing kpt #: 239 total cpu time spent up to now is 94.1 secs Computing kpt #: 240 total cpu time spent up to now is 94.4 secs Computing kpt #: 241 total cpu time spent up to now is 94.8 secs Computing kpt #: 242 total cpu time spent up to now is 95.2 secs Computing kpt #: 243 total cpu time spent up to now is 95.6 secs Computing kpt #: 244 total cpu time spent up to now is 96.0 secs Computing kpt #: 245 total cpu time spent up to now is 96.4 secs Computing kpt #: 246 total cpu time spent up to now is 96.8 secs Computing kpt #: 247 total cpu time spent up to now is 97.2 secs Computing kpt #: 248 total cpu time spent up to now is 97.6 secs Computing kpt #: 249 total cpu time spent up to now is 98.0 secs Computing kpt #: 250 total cpu time spent up to now is 98.4 secs Computing kpt #: 251 total cpu time spent up to now is 98.8 secs Computing kpt #: 252 total cpu time spent up to now is 99.2 secs Computing kpt #: 253 total cpu time spent up to now is 99.7 secs Computing kpt #: 254 total cpu time spent up to now is 100.1 secs Computing kpt #: 255 total cpu time spent up to now is 100.6 secs Computing kpt #: 256 total cpu time spent up to now is 101.1 secs Computing kpt #: 257 total cpu time spent up to now is 101.6 secs Computing kpt #: 258 total cpu time spent up to now is 102.0 secs Computing kpt #: 259 total cpu time spent up to now is 102.5 secs Computing kpt #: 260 total cpu time spent up to now is 102.9 secs Computing kpt #: 261 total cpu time spent up to now is 103.4 secs Computing kpt #: 262 total cpu time spent up to now is 103.9 secs Computing kpt #: 263 total cpu time spent up to now is 104.4 secs Computing kpt #: 264 total cpu time spent up to now is 104.8 secs Computing kpt #: 265 total cpu time spent up to now is 105.3 secs Computing kpt #: 266 total cpu time spent up to now is 105.8 secs Computing kpt #: 267 total cpu time spent up to now is 106.2 secs Computing kpt #: 268 total cpu time spent up to now is 106.7 secs Computing kpt #: 269 total cpu time spent up to now is 107.2 secs Computing kpt #: 270 total cpu time spent up to now is 107.6 secs Computing kpt #: 271 total cpu time spent up to now is 108.1 secs Computing kpt #: 272 total cpu time spent up to now is 108.6 secs Computing kpt #: 273 total cpu time spent up to now is 109.0 secs Computing kpt #: 274 total cpu time spent up to now is 109.5 secs Computing kpt #: 275 total cpu time spent up to now is 109.9 secs Computing kpt #: 276 total cpu time spent up to now is 110.4 secs Computing kpt #: 277 total cpu time spent up to now is 110.9 secs Computing kpt #: 278 total cpu time spent up to now is 111.4 secs Computing kpt #: 279 total cpu time spent up to now is 111.8 secs Computing kpt #: 280 total cpu time spent up to now is 112.3 secs Computing kpt #: 281 total cpu time spent up to now is 112.8 secs Computing kpt #: 282 total cpu time spent up to now is 113.2 secs Computing kpt #: 283 total cpu time spent up to now is 113.6 secs Computing kpt #: 284 total cpu time spent up to now is 114.0 secs Computing kpt #: 285 total cpu time spent up to now is 114.4 secs Computing kpt #: 286 total cpu time spent up to now is 114.8 secs Computing kpt #: 287 total cpu time spent up to now is 115.2 secs Computing kpt #: 288 total cpu time spent up to now is 115.5 secs Computing kpt #: 289 total cpu time spent up to now is 115.9 secs Computing kpt #: 290 total cpu time spent up to now is 116.3 secs Computing kpt #: 291 total cpu time spent up to now is 116.6 secs Computing kpt #: 292 total cpu time spent up to now is 117.0 secs Computing kpt #: 293 total cpu time spent up to now is 117.4 secs Computing kpt #: 294 total cpu time spent up to now is 117.7 secs Computing kpt #: 295 total cpu time spent up to now is 118.1 secs Computing kpt #: 296 total cpu time spent up to now is 118.4 secs Computing kpt #: 297 total cpu time spent up to now is 118.8 secs Computing kpt #: 298 total cpu time spent up to now is 119.2 secs Computing kpt #: 299 total cpu time spent up to now is 119.5 secs Computing kpt #: 300 total cpu time spent up to now is 119.9 secs Computing kpt #: 301 total cpu time spent up to now is 120.2 secs Computing kpt #: 302 total cpu time spent up to now is 120.6 secs Computing kpt #: 303 total cpu time spent up to now is 121.0 secs Computing kpt #: 304 total cpu time spent up to now is 121.3 secs Computing kpt #: 305 total cpu time spent up to now is 121.7 secs Computing kpt #: 306 total cpu time spent up to now is 122.0 secs Computing kpt #: 307 total cpu time spent up to now is 122.4 secs Computing kpt #: 308 total cpu time spent up to now is 122.8 secs Computing kpt #: 309 total cpu time spent up to now is 123.1 secs Computing kpt #: 310 total cpu time spent up to now is 123.5 secs Computing kpt #: 311 total cpu time spent up to now is 123.9 secs Computing kpt #: 312 total cpu time spent up to now is 124.2 secs Computing kpt #: 313 total cpu time spent up to now is 124.6 secs Computing kpt #: 314 total cpu time spent up to now is 125.0 secs Computing kpt #: 315 total cpu time spent up to now is 125.4 secs Computing kpt #: 316 total cpu time spent up to now is 125.7 secs Computing kpt #: 317 total cpu time spent up to now is 126.1 secs Computing kpt #: 318 total cpu time spent up to now is 126.5 secs Computing kpt #: 319 total cpu time spent up to now is 126.8 secs Computing kpt #: 320 total cpu time spent up to now is 127.2 secs Computing kpt #: 321 total cpu time spent up to now is 127.6 secs Computing kpt #: 322 total cpu time spent up to now is 127.9 secs Computing kpt #: 323 total cpu time spent up to now is 128.3 secs Computing kpt #: 324 total cpu time spent up to now is 128.6 secs Computing kpt #: 325 total cpu time spent up to now is 129.0 secs Computing kpt #: 326 total cpu time spent up to now is 129.3 secs Computing kpt #: 327 total cpu time spent up to now is 129.7 secs Computing kpt #: 328 total cpu time spent up to now is 130.1 secs Computing kpt #: 329 total cpu time spent up to now is 130.4 secs Computing kpt #: 330 total cpu time spent up to now is 130.8 secs Computing kpt #: 331 total cpu time spent up to now is 131.2 secs Computing kpt #: 332 total cpu time spent up to now is 131.6 secs Computing kpt #: 333 total cpu time spent up to now is 132.0 secs Computing kpt #: 334 total cpu time spent up to now is 132.4 secs Computing kpt #: 335 total cpu time spent up to now is 132.8 secs Computing kpt #: 336 total cpu time spent up to now is 133.2 secs Computing kpt #: 337 total cpu time spent up to now is 133.7 secs Computing kpt #: 338 total cpu time spent up to now is 134.1 secs Computing kpt #: 339 total cpu time spent up to now is 134.5 secs Computing kpt #: 340 total cpu time spent up to now is 135.0 secs Computing kpt #: 341 total cpu time spent up to now is 135.5 secs Computing kpt #: 342 total cpu time spent up to now is 135.9 secs Computing kpt #: 343 total cpu time spent up to now is 136.4 secs Computing kpt #: 344 total cpu time spent up to now is 136.9 secs Computing kpt #: 345 total cpu time spent up to now is 137.4 secs Computing kpt #: 346 total cpu time spent up to now is 137.9 secs Computing kpt #: 347 total cpu time spent up to now is 138.3 secs Computing kpt #: 348 total cpu time spent up to now is 138.8 secs ethr = 2.94E-08, avg # of iterations = 16.7 total cpu time spent up to now is 138.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2279 PWs) bands (ev): -33.2938 -33.2938 -14.3741 -14.3741 -13.0966 -13.0966 -12.6138 -12.6138 -10.1674 -10.1674 -8.7842 -8.7842 1.9053 1.9053 3.5271 3.5271 3.5448 3.5448 4.8692 4.8692 5.4757 5.4757 5.7475 5.7475 5.8004 5.8004 6.5811 6.5811 6.8211 6.8211 7.0223 7.0223 7.1430 7.1430 10.4207 10.4207 12.6435 12.6435 12.6445 12.6445 13.6072 13.6072 k = 0.0094-0.0141-0.0086 ( 2283 PWs) bands (ev): -33.2937 -33.2937 -14.3741 -14.3741 -13.0969 -13.0969 -12.6149 -12.6149 -10.1657 -10.1657 -8.7850 -8.7850 1.9062 1.9062 3.5273 3.5273 3.5449 3.5449 4.8701 4.8701 5.4726 5.4726 5.7481 5.7481 5.8007 5.8007 6.5812 6.5812 6.8212 6.8212 7.0226 7.0226 7.1433 7.1433 10.4223 10.4223 12.6423 12.6423 12.6454 12.6454 13.6065 13.6065 k = 0.0189-0.0281-0.0172 ( 2283 PWs) bands (ev): -33.2935 -33.2935 -14.3743 -14.3743 -13.0981 -13.0981 -12.6180 -12.6180 -10.1604 -10.1604 -8.7872 -8.7872 1.9090 1.9090 3.5276 3.5276 3.5455 3.5455 4.8727 4.8727 5.4636 5.4636 5.7493 5.7493 5.8019 5.8019 6.5816 6.5816 6.8215 6.8215 7.0237 7.0237 7.1442 7.1442 10.4270 10.4270 12.6375 12.6375 12.6495 12.6495 13.6044 13.6044 k = 0.0283-0.0422-0.0259 ( 2283 PWs) bands (ev): -33.2932 -33.2932 -14.3746 -14.3746 -13.0999 -13.0999 -12.6232 -12.6232 -10.1518 -10.1518 -8.7908 -8.7908 1.9135 1.9135 3.5275 3.5275 3.5471 3.5471 4.8770 4.8770 5.4492 5.4492 5.7499 5.7499 5.8050 5.8050 6.5821 6.5821 6.8220 6.8220 7.0255 7.0255 7.1457 7.1457 10.4348 10.4348 12.6296 12.6296 12.6563 12.6563 13.6009 13.6009 k = 0.0377-0.0562-0.0345 ( 2285 PWs) bands (ev): -33.2927 -33.2927 -14.3751 -14.3751 -13.1026 -13.1026 -12.6303 -12.6303 -10.1398 -10.1398 -8.7959 -8.7959 1.9199 1.9199 3.5266 3.5266 3.5501 3.5501 4.8829 4.8829 5.4299 5.4299 5.7482 5.7482 5.8111 5.8111 6.5829 6.5829 6.8226 6.8226 7.0281 7.0281 7.1479 7.1479 10.4456 10.4456 12.6188 12.6188 12.6658 12.6658 13.5961 13.5961 k = 0.0472-0.0703-0.0431 ( 2285 PWs) bands (ev): -33.2922 -33.2922 -14.3757 -14.3757 -13.1060 -13.1060 -12.6391 -12.6391 -10.1246 -10.1246 -8.8024 -8.8024 1.9280 1.9280 3.5248 3.5248 3.5548 3.5548 4.8901 4.8901 5.4065 5.4065 5.7434 5.7434 5.8204 5.8204 6.5838 6.5838 6.8235 6.8235 7.0313 7.0313 7.1507 7.1507 10.4593 10.4593 12.6053 12.6053 12.6779 12.6779 13.5900 13.5900 k = 0.0566-0.0843-0.0517 ( 2279 PWs) bands (ev): -33.2915 -33.2915 -14.3765 -14.3765 -13.1102 -13.1102 -12.6495 -12.6495 -10.1064 -10.1064 -8.8103 -8.8103 1.9380 1.9380 3.5221 3.5221 3.5611 3.5611 4.8985 4.8985 5.3796 5.3796 5.7358 5.7358 5.8325 5.8325 6.5850 6.5850 6.8246 6.8246 7.0352 7.0352 7.1541 7.1541 10.4758 10.4758 12.5893 12.5893 12.6927 12.6927 13.5828 13.5828 k = 0.0660-0.0984-0.0603 ( 2274 PWs) bands (ev): -33.2907 -33.2907 -14.3775 -14.3775 -13.1152 -13.1152 -12.6612 -12.6612 -10.0854 -10.0854 -8.8195 -8.8195 1.9496 1.9496 3.5189 3.5189 3.5689 3.5689 4.9076 4.9076 5.3496 5.3496 5.7257 5.7257 5.8468 5.8468 6.5864 6.5864 6.8260 6.8260 7.0399 7.0399 7.1581 7.1581 10.4949 10.4949 12.5712 12.5712 12.7100 12.7100 13.5744 13.5744 k = 0.0755-0.1125-0.0689 ( 2270 PWs) bands (ev): -33.2897 -33.2897 -14.3788 -14.3788 -13.1210 -13.1210 -12.6740 -12.6740 -10.0617 -10.0617 -8.8300 -8.8300 1.9630 1.9630 3.5152 3.5152 3.5780 3.5780 4.9172 4.9172 5.3173 5.3173 5.7135 5.7135 5.8627 5.8627 6.5879 6.5879 6.8275 6.8275 7.0452 7.0452 7.1627 7.1627 10.5165 10.5165 12.5512 12.5512 12.7298 12.7298 13.5649 13.5649 k = 0.0849-0.1265-0.0776 ( 2274 PWs) bands (ev): -33.2887 -33.2887 -14.3803 -14.3803 -13.1278 -13.1278 -12.6877 -12.6877 -10.0356 -10.0356 -8.8418 -8.8418 1.9780 1.9780 3.5112 3.5112 3.5884 3.5884 4.9268 4.9268 5.2832 5.2832 5.6994 5.6994 5.8800 5.8800 6.5895 6.5895 6.8293 6.8293 7.0512 7.0512 7.1680 7.1680 10.5402 10.5402 12.5297 12.5297 12.7520 12.7520 13.5543 13.5543 k = 0.0943-0.1406-0.0862 ( 2272 PWs) bands (ev): -33.2875 -33.2875 -14.3821 -14.3821 -13.1354 -13.1354 -12.7020 -12.7020 -10.0073 -10.0073 -8.8547 -8.8547 1.9947 1.9947 3.5071 3.5071 3.6000 3.6000 4.9355 4.9355 5.2480 5.2480 5.6837 5.6837 5.8985 5.8985 6.5912 6.5912 6.8314 6.8314 7.0579 7.0579 7.1738 7.1738 10.5661 10.5661 12.5071 12.5071 12.7765 12.7765 13.5426 13.5426 k = 0.1038-0.1546-0.0948 ( 2273 PWs) bands (ev): -33.2863 -33.2863 -14.3843 -14.3843 -13.1439 -13.1439 -12.7166 -12.7166 -9.9771 -9.9771 -8.8688 -8.8688 2.0129 2.0129 3.5031 3.5031 3.6128 3.6128 4.9423 4.9423 5.2128 5.2128 5.6665 5.6665 5.9181 5.9181 6.5931 6.5931 6.8336 6.8336 7.0653 7.0653 7.1803 7.1803 10.5938 10.5938 12.4836 12.4836 12.8033 12.8033 13.5298 13.5298 k = 0.1132-0.1687-0.1034 ( 2270 PWs) bands (ev): -33.2849 -33.2849 -14.3868 -14.3868 -13.1534 -13.1534 -12.7313 -12.7313 -9.9452 -9.9452 -8.8838 -8.8838 2.0327 2.0327 3.4992 3.4992 3.6266 3.6266 4.9456 4.9456 5.1793 5.1793 5.6479 5.6479 5.9387 5.9387 6.5951 6.5951 6.8363 6.8363 7.0734 7.0734 7.1874 7.1874 10.6230 10.6230 12.4596 12.4596 12.8322 12.8322 13.5158 13.5158 k = 0.1226-0.1827-0.1120 ( 2276 PWs) bands (ev): -33.2835 -33.2835 -14.3898 -14.3898 -13.1637 -13.1637 -12.7459 -12.7459 -9.9119 -9.9119 -8.8998 -8.8998 2.0539 2.0539 3.4955 3.4955 3.6415 3.6415 4.9429 4.9429 5.1500 5.1500 5.6281 5.6281 5.9603 5.9603 6.5972 6.5972 6.8391 6.8391 7.0821 7.0821 7.1951 7.1951 10.6536 10.6536 12.4354 12.4354 12.8630 12.8630 13.5007 13.5007 k = 0.1321-0.1968-0.1207 ( 2277 PWs) bands (ev): -33.2819 -33.2819 -14.3932 -14.3932 -13.1748 -13.1748 -12.7601 -12.7601 -9.8775 -9.8775 -8.9167 -8.9167 2.0765 2.0765 3.4922 3.4922 3.6574 3.6574 4.9312 4.9312 5.1277 5.1277 5.6072 5.6072 5.9827 5.9827 6.5996 6.5996 6.8423 6.8423 7.0915 7.0915 7.2034 7.2034 10.6853 10.6853 12.4112 12.4112 12.8958 12.8958 13.4844 13.4844 k = 0.1415-0.2109-0.1293 ( 2279 PWs) bands (ev): -33.2803 -33.2803 -14.3971 -14.3971 -13.1868 -13.1868 -12.7738 -12.7738 -9.8421 -9.8421 -8.9342 -8.9342 2.1005 2.1005 3.4893 3.4893 3.6741 3.6741 4.9089 4.9089 5.1143 5.1143 5.5853 5.5853 6.0060 6.0060 6.6020 6.6020 6.8458 6.8458 7.1016 7.1016 7.2123 7.2123 10.7178 10.7178 12.3874 12.3874 12.9304 12.9304 13.4667 13.4667 k = 0.1509-0.2249-0.1379 ( 2283 PWs) bands (ev): -33.2786 -33.2786 -14.4015 -14.4015 -13.1995 -13.1995 -12.7868 -12.7868 -9.8062 -9.8062 -8.9523 -8.9523 2.1258 2.1258 3.4868 3.4868 3.6918 3.6918 4.8768 4.8768 5.1088 5.1088 5.5626 5.5626 6.0301 6.0301 6.6048 6.6048 6.8497 6.8497 7.1123 7.1123 7.2218 7.2218 10.7509 10.7509 12.3640 12.3640 12.9666 12.9666 13.4478 13.4478 k = 0.1604-0.2390-0.1465 ( 2283 PWs) bands (ev): -33.2768 -33.2768 -14.4066 -14.4066 -13.2127 -13.2127 -12.7990 -12.7990 -9.7699 -9.7699 -8.9707 -8.9707 2.1523 2.1523 3.4849 3.4849 3.7103 3.7103 4.8375 4.8375 5.1088 5.1088 5.5390 5.5390 6.0550 6.0550 6.6079 6.6079 6.8539 6.8539 7.1237 7.1237 7.2319 7.2319 10.7843 10.7843 12.3415 12.3415 13.0043 13.0043 13.4276 13.4276 k = 0.1698-0.2530-0.1551 ( 2285 PWs) bands (ev): -33.2749 -33.2749 -14.4122 -14.4122 -13.2265 -13.2265 -12.8103 -12.8103 -9.7337 -9.7337 -8.9894 -8.9894 2.1799 2.1799 3.4835 3.4835 3.7295 3.7295 4.7937 4.7937 5.1116 5.1116 5.5147 5.5147 6.0804 6.0804 6.6115 6.6115 6.8584 6.8584 7.1356 7.1356 7.2425 7.2425 10.8177 10.8177 12.3198 12.3198 13.0434 13.0434 13.4061 13.4061 k = 0.1792-0.2671-0.1637 ( 2282 PWs) bands (ev): -33.2730 -33.2730 -14.4185 -14.4185 -13.2406 -13.2406 -12.8207 -12.8207 -9.6978 -9.6978 -9.0079 -9.0079 2.2086 2.2086 3.4827 3.4827 3.7494 3.7494 4.7470 4.7470 5.1158 5.1158 5.4897 5.4897 6.1063 6.1063 6.6156 6.6156 6.8634 6.8634 7.1482 7.1482 7.2537 7.2537 10.8508 10.8508 12.2991 12.2991 13.0836 13.0836 13.3833 13.3833 k = 0.1887-0.2812-0.1724 ( 2279 PWs) bands (ev): -33.2710 -33.2710 -14.4255 -14.4255 -13.2550 -13.2550 -12.8302 -12.8302 -9.6627 -9.6627 -9.0261 -9.0261 2.2382 2.2382 3.4824 3.4824 3.7700 3.7700 4.6986 4.6986 5.1200 5.1200 5.4643 5.4643 6.1325 6.1325 6.6206 6.6206 6.8687 6.8687 7.1613 7.1613 7.2653 7.2653 10.8834 10.8834 12.2796 12.2796 13.1247 13.1247 13.3596 13.3596 k = 0.1981-0.2952-0.1810 ( 2279 PWs) bands (ev): -33.2689 -33.2689 -14.4332 -14.4332 -13.2694 -13.2694 -12.8387 -12.8387 -9.6288 -9.6288 -9.0435 -9.0435 2.2686 2.2686 3.4826 3.4826 3.7912 3.7912 4.6494 4.6494 5.1238 5.1238 5.4383 5.4383 6.1588 6.1588 6.6264 6.6264 6.8744 6.8744 7.1750 7.1750 7.2775 7.2775 10.9151 10.9151 12.2613 12.2613 13.1661 13.1661 13.3352 13.3352 k = 0.2075-0.3093-0.1896 ( 2275 PWs) bands (ev): -33.2669 -33.2669 -14.4416 -14.4416 -13.2837 -13.2837 -12.8463 -12.8463 -9.5967 -9.5967 -9.0596 -9.0596 2.2999 2.2999 3.4833 3.4833 3.8129 3.8129 4.6000 4.6000 5.1267 5.1267 5.4120 5.4120 6.1849 6.1849 6.6334 6.6334 6.8805 6.8805 7.1891 7.1891 7.2901 7.2901 10.9455 10.9455 12.2443 12.2443 13.2065 13.2065 13.3116 13.3116 k = 0.2170-0.3233-0.1982 ( 2272 PWs) bands (ev): -33.2647 -33.2647 -14.4506 -14.4506 -13.2979 -13.2979 -12.8531 -12.8531 -9.5670 -9.5670 -9.0738 -9.0738 2.3318 2.3318 3.4844 3.4844 3.8351 3.8351 4.5508 4.5508 5.1282 5.1282 5.3853 5.3853 6.2106 6.2106 6.6419 6.6419 6.8870 6.8870 7.2037 7.2037 7.3031 7.3031 10.9744 10.9744 12.2287 12.2287 13.2381 13.2381 13.2966 13.2966 k = 0.2264-0.3374-0.2068 ( 2277 PWs) bands (ev): -33.2626 -33.2626 -14.4604 -14.4604 -13.3117 -13.3117 -12.8589 -12.8589 -9.5406 -9.5406 -9.0854 -9.0854 2.3642 2.3642 3.4857 3.4857 3.8576 3.8576 4.5024 4.5024 5.1284 5.1284 5.3584 5.3584 6.2355 6.2355 6.6521 6.6521 6.8939 6.8939 7.2186 7.2186 7.3165 7.3165 11.0013 11.0013 12.2143 12.2143 13.2356 13.2356 13.3155 13.3155 k = 0.2358-0.3514-0.2155 ( 2275 PWs) bands (ev): -33.2604 -33.2604 -14.4708 -14.4708 -13.3250 -13.3250 -12.8640 -12.8640 -9.5183 -9.5183 -9.0936 -9.0936 2.3971 2.3971 3.4872 3.4872 3.8806 3.8806 4.4551 4.4551 5.1269 5.1269 5.3313 5.3313 6.2591 6.2591 6.6645 6.6645 6.9012 6.9012 7.2338 7.2338 7.3303 7.3303 11.0259 11.0259 12.2014 12.2014 13.2125 13.2125 13.3552 13.3552 k = 0.2453-0.3655-0.2241 ( 2269 PWs) bands (ev): -33.2583 -33.2583 -14.4819 -14.4819 -13.3378 -13.3378 -12.8683 -12.8683 -9.5010 -9.5010 -9.0973 -9.0973 2.4303 2.4303 3.4886 3.4886 3.9038 3.9038 4.4094 4.4094 5.1237 5.1237 5.3041 5.3041 6.2813 6.2813 6.6792 6.6792 6.9091 6.9091 7.2493 7.2493 7.3443 7.3443 11.0477 11.0477 12.1897 12.1897 13.1856 13.1856 13.3989 13.3989 k = 0.2547-0.3796-0.2327 ( 2263 PWs) bands (ev): -33.2561 -33.2561 -14.4935 -14.4935 -13.3500 -13.3500 -12.8718 -12.8718 -9.4895 -9.4895 -9.0961 -9.0961 2.4638 2.4638 3.4897 3.4897 3.9273 3.9273 4.3657 4.3657 5.1188 5.1188 5.2768 5.2768 6.3015 6.3015 6.6965 6.6965 6.9176 6.9176 7.2650 7.2650 7.3586 7.3586 11.0663 11.0663 12.1793 12.1793 13.1581 13.1581 13.4438 13.4438 k = 0.2642-0.3936-0.2413 ( 2262 PWs) bands (ev): -33.2539 -33.2539 -14.5057 -14.5057 -13.3615 -13.3615 -12.8747 -12.8747 -9.4840 -9.4840 -9.0896 -9.0896 2.4974 2.4974 3.4903 3.4903 3.9510 3.9510 4.3245 4.3245 5.1120 5.1120 5.2495 5.2495 6.3196 6.3196 6.7164 6.7164 6.9267 6.9267 7.2808 7.2808 7.3731 7.3731 11.0813 11.0813 12.1700 12.1700 13.1312 13.1312 13.4890 13.4890 k = 0.2736-0.4077-0.2499 ( 2263 PWs) bands (ev): -33.2517 -33.2517 -14.5183 -14.5183 -13.3724 -13.3724 -12.8769 -12.8769 -9.4843 -9.4843 -9.0780 -9.0780 2.5309 2.5309 3.4900 3.4900 3.9748 3.9748 4.2861 4.2861 5.1034 5.1034 5.2222 5.2222 6.3353 6.3353 6.7390 6.7390 6.9367 6.9367 7.2967 7.2967 7.3877 7.3877 11.0921 11.0921 12.1619 12.1619 13.1056 13.1056 13.5343 13.5343 k = 0.2830-0.4217-0.2585 ( 2260 PWs) bands (ev): -33.2496 -33.2496 -14.5314 -14.5314 -13.3825 -13.3825 -12.8785 -12.8785 -9.4897 -9.4897 -9.0620 -9.0620 2.5644 2.5644 3.4886 3.4886 3.9986 3.9986 4.2512 4.2512 5.0929 5.0929 5.1950 5.1950 6.3487 6.3487 6.7638 6.7638 6.9480 6.9480 7.3127 7.3127 7.4023 7.4023 11.0983 11.0983 12.1547 12.1547 13.0821 13.0821 13.5793 13.5793 k = 0.2925-0.4358-0.2672 ( 2261 PWs) bands (ev): -33.2475 -33.2475 -14.5447 -14.5447 -13.3919 -13.3919 -12.8796 -12.8796 -9.4992 -9.4992 -9.0425 -9.0425 2.5977 2.5977 3.4857 3.4857 4.0225 4.0225 4.2200 4.2200 5.0806 5.0806 5.1680 5.1680 6.3599 6.3599 6.7900 6.7900 6.9609 6.9609 7.3287 7.3287 7.4170 7.4170 11.0997 11.0997 12.1483 12.1483 13.0612 13.0612 13.6238 13.6238 k = 0.3019-0.4498-0.2758 ( 2261 PWs) bands (ev): -33.2454 -33.2454 -14.5583 -14.5583 -13.4006 -13.4006 -12.8801 -12.8801 -9.5120 -9.5120 -9.0206 -9.0206 2.6306 2.6306 3.4810 3.4810 4.0463 4.0463 4.1932 4.1932 5.0666 5.0666 5.1411 5.1411 6.3690 6.3690 6.8168 6.8168 6.9763 6.9763 7.3446 7.3446 7.4316 7.4316 11.0957 11.0957 12.1426 12.1426 13.0436 13.0436 13.6678 13.6678 k = 0.3113-0.4639-0.2844 ( 2260 PWs) bands (ev): -33.2433 -33.2433 -14.5720 -14.5720 -13.4086 -13.4086 -12.8802 -12.8802 -9.5271 -9.5271 -8.9970 -8.9970 2.6631 2.6631 3.4743 3.4743 4.0701 4.0701 4.1710 4.1710 5.0507 5.0507 5.1145 5.1145 6.3763 6.3763 6.8428 6.8428 6.9949 6.9949 7.3605 7.3605 7.4460 7.4460 11.0863 11.0863 12.1374 12.1374 13.0299 13.0299 13.7110 13.7110 k = 0.3208-0.4780-0.2930 ( 2261 PWs) bands (ev): -33.2413 -33.2413 -14.5857 -14.5857 -13.4159 -13.4159 -12.8798 -12.8798 -9.5439 -9.5439 -8.9725 -8.9725 2.6950 2.6950 3.4654 3.4654 4.0934 4.0934 4.1540 4.1540 5.0332 5.0332 5.0881 5.0881 6.3820 6.3820 6.8667 6.8667 7.0178 7.0178 7.3764 7.3764 7.4603 7.4603 11.0712 11.0712 12.1325 12.1325 13.0204 13.0204 13.7532 13.7532 k = 0.3302-0.4920-0.3016 ( 2263 PWs) bands (ev): -33.2394 -33.2394 -14.5994 -14.5994 -13.4225 -13.4225 -12.8791 -12.8791 -9.5617 -9.5617 -8.9477 -8.9477 2.7262 2.7262 3.4542 3.4542 4.1155 4.1155 4.1431 4.1431 5.0141 5.0141 5.0621 5.0621 6.3864 6.3864 6.8874 6.8874 7.0454 7.0454 7.3922 7.3922 7.4744 7.4744 11.0506 11.0506 12.1278 12.1278 13.0156 13.0156 13.7944 13.7944 k = 0.3396-0.5061-0.3103 ( 2262 PWs) bands (ev): -33.2375 -33.2375 -14.6129 -14.6129 -13.4286 -13.4286 -12.8780 -12.8780 -9.5800 -9.5800 -8.9229 -8.9229 2.7568 2.7568 3.4407 3.4407 4.1279 4.1279 4.1466 4.1466 4.9934 4.9934 5.0364 5.0364 6.3897 6.3897 6.9048 6.9048 7.0774 7.0774 7.4079 7.4079 7.4882 7.4882 11.0245 11.0245 12.1233 12.1233 13.0156 13.0156 13.8343 13.8343 k = 0.3491-0.5201-0.3189 ( 2264 PWs) bands (ev): -33.2357 -33.2357 -14.6262 -14.6262 -13.4341 -13.4341 -12.8766 -12.8766 -9.5985 -9.5985 -8.8985 -8.8985 2.7864 2.7864 3.4252 3.4252 4.1282 4.1282 4.1669 4.1669 4.9713 4.9713 5.0110 5.0110 6.3921 6.3921 6.9192 6.9192 7.1130 7.1130 7.4237 7.4237 7.5018 7.5018 10.9933 10.9933 12.1187 12.1187 13.0204 13.0204 13.8728 13.8728 k = 0.3585-0.5342-0.3275 ( 2264 PWs) bands (ev): -33.2339 -33.2339 -14.6392 -14.6392 -13.4390 -13.4390 -12.8749 -12.8749 -9.6170 -9.6170 -8.8748 -8.8748 2.8151 2.8151 3.4080 3.4080 4.1306 4.1306 4.1893 4.1893 4.9479 4.9479 4.9860 4.9860 6.3937 6.3937 6.9312 6.9312 7.1508 7.1508 7.4396 7.4396 7.5151 7.5151 10.9576 10.9576 12.1142 12.1142 13.0298 13.0298 13.9098 13.9098 k = 0.3679-0.5482-0.3361 ( 2263 PWs) bands (ev): -33.2323 -33.2323 -14.6518 -14.6518 -13.4434 -13.4434 -12.8731 -12.8731 -9.6351 -9.6351 -8.8520 -8.8520 2.8429 2.8429 3.3895 3.3895 4.1368 4.1368 4.2118 4.2118 4.9233 4.9233 4.9613 4.9613 6.3948 6.3948 6.9414 6.9414 7.1898 7.1898 7.4558 7.4558 7.5283 7.5283 10.9178 10.9178 12.1096 12.1096 13.0437 13.0437 13.9451 13.9451 k = 0.3774-0.5623-0.3447 ( 2261 PWs) bands (ev): -33.2307 -33.2307 -14.6638 -14.6638 -13.4474 -13.4474 -12.8711 -12.8711 -9.6527 -9.6527 -8.8302 -8.8302 2.8695 2.8695 3.3700 3.3700 4.1466 4.1466 4.2342 4.2342 4.8975 4.8975 4.9371 4.9371 6.3954 6.3954 6.9502 6.9502 7.2286 7.2286 7.4722 7.4722 7.5415 7.5415 10.8748 10.8748 12.1051 12.1051 13.0615 13.0615 13.9785 13.9785 k = 0.3868-0.5764-0.3533 ( 2257 PWs) bands (ev): -33.2292 -33.2292 -14.6753 -14.6753 -13.4510 -13.4510 -12.8690 -12.8690 -9.6696 -9.6696 -8.8097 -8.8097 2.8951 2.8951 3.3499 3.3499 4.1597 4.1597 4.2561 4.2561 4.8708 4.8708 4.9134 4.9134 6.3957 6.3957 6.9579 6.9579 7.2662 7.2662 7.4889 7.4889 7.5549 7.5549 10.8292 10.8292 12.1006 12.1006 13.0828 13.0828 14.0100 14.0100 k = 0.3962-0.5904-0.3620 ( 2250 PWs) bands (ev): -33.2278 -33.2278 -14.6862 -14.6862 -13.4541 -13.4541 -12.8668 -12.8668 -9.6856 -9.6856 -8.7904 -8.7904 2.9194 2.9194 3.3296 3.3296 4.1756 4.1756 4.2777 4.2777 4.8432 4.8432 4.8903 4.8903 6.3958 6.3958 6.9647 6.9647 7.3013 7.3013 7.5058 7.5058 7.5691 7.5691 10.7822 10.7822 12.0961 12.0961 13.1068 13.1068 14.0395 14.0395 k = 0.4057-0.6045-0.3706 ( 2256 PWs) bands (ev): -33.2265 -33.2265 -14.6963 -14.6963 -13.4569 -13.4569 -12.8647 -12.8647 -9.7006 -9.7006 -8.7726 -8.7726 2.9425 2.9425 3.3093 3.3093 4.1941 4.1941 4.2986 4.2986 4.8149 4.8149 4.8678 4.8678 6.3955 6.3955 6.9706 6.9706 7.3330 7.3330 7.5223 7.5223 7.5847 7.5847 10.7344 10.7344 12.0919 12.0919 13.1330 13.1330 14.0667 14.0667 k = 0.4151-0.6185-0.3792 ( 2256 PWs) bands (ev): -33.2254 -33.2254 -14.7056 -14.7056 -13.4594 -13.4594 -12.8626 -12.8626 -9.7145 -9.7145 -8.7562 -8.7562 2.9645 2.9645 3.2895 3.2895 4.2147 4.2147 4.3190 4.3190 4.7859 4.7859 4.8460 4.8460 6.3952 6.3952 6.9760 6.9760 7.3607 7.3607 7.5376 7.5376 7.6027 7.6027 10.6871 10.6871 12.0878 12.0878 13.1606 13.1606 14.0917 14.0917 k = 0.4245-0.6326-0.3878 ( 2257 PWs) bands (ev): -33.2243 -33.2243 -14.7142 -14.7142 -13.4615 -13.4615 -12.8606 -12.8606 -9.7272 -9.7272 -8.7414 -8.7414 2.9852 2.9852 3.2701 3.2701 4.2370 4.2370 4.3386 4.3386 4.7564 4.7564 4.8252 4.8252 6.3948 6.3948 6.9806 6.9806 7.3841 7.3841 7.5509 7.5509 7.6233 7.6233 10.6410 10.6410 12.0840 12.0840 13.1888 13.1888 14.1143 14.1143 k = 0.4340-0.6466-0.3964 ( 2259 PWs) bands (ev): -33.2233 -33.2233 -14.7218 -14.7218 -13.4633 -13.4633 -12.8587 -12.8587 -9.7387 -9.7387 -8.7283 -8.7283 3.0046 3.0046 3.2515 3.2515 4.2608 4.2608 4.3572 4.3572 4.7267 4.7267 4.8055 4.8055 6.3943 6.3943 6.9847 6.9847 7.4033 7.4033 7.5619 7.5619 7.6460 7.6460 10.5973 10.5973 12.0806 12.0806 13.2168 13.2168 14.1344 14.1344 k = 0.4434-0.6607-0.4051 ( 2253 PWs) bands (ev): -33.2225 -33.2225 -14.7285 -14.7285 -13.4649 -13.4649 -12.8569 -12.8569 -9.7487 -9.7487 -8.7168 -8.7168 3.0229 3.0229 3.2338 3.2338 4.2856 4.2856 4.3747 4.3747 4.6970 4.6970 4.7870 4.7870 6.3939 6.3939 6.9883 6.9883 7.4188 7.4188 7.5709 7.5709 7.6695 7.6695 10.5569 10.5569 12.0775 12.0775 13.2437 13.2437 14.1519 14.1519 k = 0.4528-0.6748-0.4137 ( 2259 PWs) bands (ev): -33.2218 -33.2218 -14.7342 -14.7342 -13.4662 -13.4662 -12.8554 -12.8554 -9.7573 -9.7573 -8.7070 -8.7070 3.0399 3.0399 3.2171 3.2171 4.3109 4.3109 4.3906 4.3906 4.6676 4.6676 4.7702 4.7702 6.3934 6.3934 6.9912 6.9912 7.4309 7.4309 7.5779 7.5779 7.6921 7.6921 10.5208 10.5208 12.0749 12.0749 13.2687 13.2687 14.1668 14.1668 k = 0.4623-0.6888-0.4223 ( 2258 PWs) bands (ev): -33.2212 -33.2212 -14.7390 -14.7390 -13.4672 -13.4672 -12.8541 -12.8541 -9.7644 -9.7644 -8.6989 -8.6989 3.0556 3.0556 3.2015 3.2015 4.3362 4.3362 4.4047 4.4047 4.6392 4.6392 4.7554 4.7554 6.3931 6.3931 6.9936 6.9936 7.4404 7.4404 7.5835 7.5835 7.7127 7.7127 10.4899 10.4899 12.0726 12.0726 13.2909 13.2909 14.1791 14.1791 k = 0.4717-0.7029-0.4309 ( 2258 PWs) bands (ev): -33.2208 -33.2208 -14.7427 -14.7427 -13.4680 -13.4680 -12.8531 -12.8531 -9.7700 -9.7700 -8.6926 -8.6926 3.0698 3.0698 3.1873 3.1873 4.3604 4.3604 4.4165 4.4165 4.6126 4.6126 4.7431 4.7431 6.3928 6.3928 6.9954 6.9954 7.4473 7.4473 7.5877 7.5877 7.7299 7.7299 10.4649 10.4649 12.0709 12.0709 13.3092 13.3092 14.1886 14.1886 k = 0.4811-0.7169-0.4395 ( 2258 PWs) bands (ev): -33.2205 -33.2205 -14.7453 -14.7453 -13.4686 -13.4686 -12.8523 -12.8523 -9.7740 -9.7740 -8.6881 -8.6881 3.0820 3.0820 3.1751 3.1751 4.3820 4.3820 4.4253 4.4253 4.5895 4.5895 4.7337 4.7337 6.3926 6.3926 6.9968 6.9968 7.4521 7.4521 7.5906 7.5906 7.7428 7.7428 10.4466 10.4466 12.0696 12.0696 13.3230 13.3230 14.1955 14.1955 k = 0.4906-0.7310-0.4481 ( 2252 PWs) bands (ev): -33.2203 -33.2203 -14.7469 -14.7469 -13.4689 -13.4689 -12.8519 -12.8519 -9.7765 -9.7765 -8.6854 -8.6854 3.0909 3.0909 3.1662 3.1662 4.3979 4.3979 4.4308 4.4308 4.5727 4.5727 4.7279 4.7279 6.3924 6.3924 6.9976 6.9976 7.4550 7.4550 7.5924 7.5924 7.7508 7.7508 10.4353 10.4353 12.0688 12.0688 13.3316 13.3316 14.1996 14.1996 k = 0.5000-0.7451-0.4568 ( 2252 PWs) bands (ev): -33.2202 -33.2202 -14.7475 -14.7475 -13.4690 -13.4690 -12.8517 -12.8517 -9.7773 -9.7773 -8.6845 -8.6845 3.0943 3.0943 3.1628 3.1628 4.4041 4.4041 4.4326 4.4326 4.5664 4.5664 4.7259 4.7259 6.3924 6.3924 6.9978 6.9978 7.4559 7.4559 7.5929 7.5929 7.7535 7.7535 10.4315 10.4315 12.0686 12.0686 13.3345 13.3345 14.2009 14.2009 k = 0.5000-0.7451-0.4568 ( 2252 PWs) bands (ev): -33.2202 -33.2202 -14.7475 -14.7475 -13.4690 -13.4690 -12.8517 -12.8517 -9.7773 -9.7773 -8.6845 -8.6845 3.0943 3.0943 3.1628 3.1628 4.4041 4.4041 4.4326 4.4326 4.5664 4.5664 4.7259 4.7259 6.3924 6.3924 6.9978 6.9978 7.4559 7.4559 7.5929 7.5929 7.7535 7.7535 10.4315 10.4315 12.0686 12.0686 13.3345 13.3345 14.2009 14.2009 k = 0.5000-0.7351-0.4729 ( 2254 PWs) bands (ev): -33.2202 -33.2202 -14.7472 -14.7472 -13.4692 -13.4692 -12.8526 -12.8526 -9.7758 -9.7758 -8.6853 -8.6853 3.0957 3.0957 3.1625 3.1625 4.3853 4.3853 4.4519 4.4519 4.5663 4.5663 4.7246 4.7246 6.3931 6.3931 6.9975 6.9975 7.4557 7.4557 7.5925 7.5925 7.7536 7.7536 10.4328 10.4328 12.0702 12.0702 13.3294 13.3294 14.2038 14.2038 k = 0.5000-0.7252-0.4891 ( 2254 PWs) bands (ev): -33.2201 -33.2201 -14.7465 -14.7465 -13.4696 -13.4696 -12.8553 -12.8553 -9.7715 -9.7715 -8.6876 -8.6876 3.1001 3.1001 3.1618 3.1618 4.3577 4.3577 4.4809 4.4809 4.5659 4.5659 4.7210 4.7210 6.3951 6.3951 6.9966 6.9966 7.4550 7.4550 7.5914 7.5914 7.7537 7.7537 10.4365 10.4365 12.0752 12.0752 13.3145 13.3145 14.2122 14.2122 k = 0.5000-0.7153-0.5053 ( 2258 PWs) bands (ev): -33.2200 -33.2200 -14.7453 -14.7453 -13.4703 -13.4703 -12.8597 -12.8597 -9.7644 -9.7644 -8.6915 -8.6915 3.1073 3.1073 3.1606 3.1606 4.3298 4.3298 4.5111 4.5111 4.5653 4.5653 4.7150 4.7150 6.3984 6.3984 6.9950 6.9950 7.4539 7.4539 7.5895 7.5895 7.7539 7.7539 10.4427 10.4427 12.0834 12.0834 13.2906 13.2906 14.2252 14.2252 k = 0.5000-0.7054-0.5215 ( 2254 PWs) bands (ev): -33.2198 -33.2198 -14.7437 -14.7437 -13.4713 -13.4713 -12.8658 -12.8658 -9.7545 -9.7545 -8.6970 -8.6970 3.1173 3.1173 3.1589 3.1589 4.3025 4.3025 4.5408 4.5408 4.5650 4.5650 4.7069 4.7069 6.4030 6.4030 6.9928 6.9928 7.4524 7.4524 7.5869 7.5869 7.7543 7.7543 10.4513 10.4513 12.0948 12.0948 13.2591 13.2591 14.2416 14.2416 k = 0.5000-0.6955-0.5377 ( 2260 PWs) bands (ev): -33.2196 -33.2196 -14.7416 -14.7416 -13.4726 -13.4726 -12.8734 -12.8734 -9.7420 -9.7420 -8.7040 -8.7040 3.1299 3.1299 3.1571 3.1571 4.2760 4.2760 4.5581 4.5581 4.5763 4.5763 4.6971 4.6971 6.4089 6.4089 6.9899 6.9899 7.4504 7.4504 7.5838 7.5838 7.7547 7.7547 10.4623 10.4623 12.1093 12.1093 13.2214 13.2214 14.2602 14.2602 k = 0.5000-0.6855-0.5538 ( 2262 PWs) bands (ev): -33.2194 -33.2194 -14.7390 -14.7390 -13.4743 -13.4743 -12.8825 -12.8825 -9.7269 -9.7269 -8.7124 -8.7124 3.1435 3.1435 3.1566 3.1566 4.2505 4.2505 4.5567 4.5567 4.6047 4.6047 4.6863 4.6863 6.4160 6.4160 6.9866 6.9866 7.4478 7.4478 7.5801 7.5801 7.7551 7.7551 10.4756 10.4756 12.1268 12.1268 13.1787 13.1787 14.2795 14.2795 k = 0.5000-0.6756-0.5700 ( 2262 PWs) bands (ev): -33.2191 -33.2191 -14.7361 -14.7361 -13.4762 -13.4762 -12.8927 -12.8927 -9.7094 -9.7094 -8.7224 -8.7224 3.1479 3.1479 3.1676 3.1676 4.2260 4.2260 4.5520 4.5520 4.6325 4.6325 4.6765 4.6765 6.4244 6.4244 6.9827 6.9827 7.4448 7.4448 7.5760 7.5760 7.7557 7.7557 10.4913 10.4913 12.1470 12.1470 13.1326 13.1326 14.2985 14.2985 k = 0.5000-0.6657-0.5862 ( 2262 PWs) bands (ev): -33.2188 -33.2188 -14.7328 -14.7328 -13.4786 -13.4786 -12.9040 -12.9040 -9.6897 -9.6897 -8.7337 -8.7337 3.1453 3.1453 3.1878 3.1878 4.2027 4.2027 4.5447 4.5447 4.6482 4.6482 4.6788 4.6788 6.4338 6.4338 6.9782 6.9782 7.4411 7.4411 7.5716 7.5716 7.7563 7.7563 10.5093 10.5093 12.1700 12.1700 13.0839 13.0839 14.3162 14.3162 k = 0.5000-0.6558-0.6024 ( 2268 PWs) bands (ev): -33.2185 -33.2185 -14.7292 -14.7292 -13.4813 -13.4813 -12.9162 -12.9162 -9.6679 -9.6679 -8.7464 -8.7464 3.1415 3.1415 3.2114 3.2114 4.1807 4.1807 4.5340 4.5340 4.6432 4.6432 4.7023 4.7023 6.4441 6.4441 6.9733 6.9733 7.4368 7.4368 7.5670 7.5670 7.7570 7.7570 10.5294 10.5294 12.1953 12.1953 13.0338 13.0338 14.3318 14.3318 k = 0.5000-0.6459-0.6185 ( 2266 PWs) bands (ev): -33.2181 -33.2181 -14.7253 -14.7253 -13.4844 -13.4844 -12.9290 -12.9290 -9.6442 -9.6442 -8.7604 -8.7604 3.1372 3.1372 3.2377 3.2377 4.1598 4.1598 4.5192 4.5192 4.6349 4.6349 4.7303 4.7303 6.4555 6.4555 6.9679 6.9679 7.4319 7.4319 7.5624 7.5624 7.7578 7.7578 10.5517 10.5517 12.2230 12.2230 12.9831 12.9831 14.3447 14.3447 k = 0.5000-0.6359-0.6347 ( 2262 PWs) bands (ev): -33.2177 -33.2177 -14.7211 -14.7211 -13.4880 -13.4880 -12.9422 -12.9422 -9.6189 -9.6189 -8.7757 -8.7757 3.1325 3.1325 3.2666 3.2666 4.1403 4.1403 4.5000 4.5000 4.6280 4.6280 4.7585 4.7585 6.4678 6.4678 6.9622 6.9622 7.4264 7.4264 7.5578 7.5578 7.7586 7.7586 10.5761 10.5761 12.2528 12.2528 12.9325 12.9325 14.3543 14.3543 k = 0.5000-0.6260-0.6509 ( 2264 PWs) bands (ev): -33.2173 -33.2173 -14.7167 -14.7167 -13.4920 -13.4920 -12.9557 -12.9557 -9.5920 -9.5920 -8.7922 -8.7922 3.1274 3.1274 3.2978 3.2978 4.1222 4.1222 4.4767 4.4767 4.6228 4.6228 4.7862 4.7862 6.4807 6.4807 6.9561 6.9561 7.4202 7.4202 7.5533 7.5533 7.7594 7.7594 10.6024 10.6024 12.2844 12.2844 12.8826 12.8826 14.3602 14.3602 k = 0.5000-0.6161-0.6671 ( 2264 PWs) bands (ev): -33.2169 -33.2169 -14.7121 -14.7121 -13.4964 -13.4964 -12.9691 -12.9691 -9.5639 -9.5639 -8.8097 -8.8097 3.1219 3.1219 3.3313 3.3313 4.1054 4.1054 4.4500 4.4500 4.6191 4.6191 4.8130 4.8130 6.4942 6.4942 6.9498 6.9498 7.4134 7.4134 7.5490 7.5490 7.7602 7.7602 10.6307 10.6307 12.3177 12.3177 12.8340 12.8340 14.3619 14.3619 k = 0.5000-0.6062-0.6833 ( 2264 PWs) bands (ev): -33.2164 -33.2164 -14.7075 -14.7075 -13.5012 -13.5012 -12.9824 -12.9824 -9.5347 -9.5347 -8.8283 -8.8283 3.1162 3.1162 3.3668 3.3668 4.0900 4.0900 4.4203 4.4203 4.6164 4.6164 4.8390 4.8390 6.5082 6.5082 6.9433 6.9433 7.4060 7.4060 7.5449 7.5449 7.7610 7.7610 10.6607 10.6607 12.3524 12.3524 12.7871 12.7871 14.3591 14.3591 k = 0.5000-0.5963-0.6994 ( 2262 PWs) bands (ev): -33.2159 -33.2159 -14.7027 -14.7027 -13.5064 -13.5064 -12.9953 -12.9953 -9.5046 -9.5046 -8.8479 -8.8479 3.1103 3.1103 3.4044 3.4044 4.0760 4.0760 4.3882 4.3882 4.6145 4.6145 4.8638 4.8638 6.5225 6.5225 6.9367 6.9367 7.3980 7.3980 7.5411 7.5411 7.7618 7.7618 10.6925 10.6925 12.3885 12.3885 12.7423 12.7423 14.3512 14.3512 k = 0.5000-0.5864-0.7156 ( 2258 PWs) bands (ev): -33.2155 -33.2155 -14.6980 -14.6980 -13.5120 -13.5120 -13.0076 -13.0076 -9.4739 -9.4739 -8.8682 -8.8682 3.1041 3.1041 3.4438 3.4438 4.0635 4.0635 4.3543 4.3543 4.6129 4.6129 4.8875 4.8875 6.5370 6.5370 6.9301 6.9301 7.3897 7.3897 7.5375 7.5375 7.7625 7.7625 10.7259 10.7259 12.4256 12.4256 12.7001 12.7001 14.3376 14.3376 k = 0.5000-0.5764-0.7318 ( 2262 PWs) bands (ev): -33.2150 -33.2150 -14.6934 -14.6934 -13.5178 -13.5178 -13.0193 -13.0193 -9.4428 -9.4428 -8.8893 -8.8893 3.0976 3.0976 3.4849 3.4849 4.0524 4.0524 4.3188 4.3188 4.6116 4.6116 4.9099 4.9099 6.5513 6.5513 6.9234 6.9234 7.3809 7.3809 7.5341 7.5341 7.7630 7.7630 10.7608 10.7608 12.4634 12.4634 12.6608 12.6608 14.3175 14.3175 k = 0.5000-0.5665-0.7480 ( 2266 PWs) bands (ev): -33.2145 -33.2145 -14.6888 -14.6888 -13.5239 -13.5239 -13.0302 -13.0302 -9.4114 -9.4114 -8.9110 -8.9110 3.0910 3.0910 3.5275 3.5275 4.0428 4.0428 4.2821 4.2821 4.6103 4.6103 4.9310 4.9310 6.5655 6.5655 6.9168 6.9168 7.3718 7.3718 7.5310 7.5310 7.7635 7.7635 10.7971 10.7971 12.5014 12.5014 12.6251 12.6251 14.2897 14.2897 k = 0.5000-0.5566-0.7642 ( 2264 PWs) bands (ev): -33.2141 -33.2141 -14.6845 -14.6845 -13.5302 -13.5302 -13.0402 -13.0402 -9.3801 -9.3801 -8.9331 -8.9331 3.0841 3.0841 3.5715 3.5715 4.0346 4.0346 4.2444 4.2444 4.6090 4.6090 4.9508 4.9508 6.5793 6.5793 6.9106 6.9106 7.3625 7.3625 7.5281 7.5281 7.7638 7.7638 10.8347 10.8347 12.5370 12.5370 12.5955 12.5955 14.2529 14.2529 k = 0.5000-0.5467-0.7803 ( 2264 PWs) bands (ev): -33.2136 -33.2136 -14.6803 -14.6803 -13.5364 -13.5364 -13.0493 -13.0493 -9.3492 -9.3492 -8.9553 -8.9553 3.0771 3.0771 3.6167 3.6167 4.0279 4.0279 4.2060 4.2060 4.6074 4.6074 4.9692 4.9692 6.5924 6.5924 6.9047 6.9047 7.3531 7.3531 7.5254 7.5254 7.7640 7.7640 10.8735 10.8735 12.5473 12.5473 12.5949 12.5949 14.2055 14.2055 k = 0.5000-0.5368-0.7965 ( 2266 PWs) bands (ev): -33.2132 -33.2132 -14.6765 -14.6765 -13.5426 -13.5426 -13.0574 -13.0574 -9.3189 -9.3189 -8.9775 -8.9775 3.0699 3.0699 3.6628 3.6628 4.0227 4.0227 4.1672 4.1672 4.6055 4.6055 4.9861 4.9861 6.6047 6.6047 6.8992 6.8992 7.3436 7.3436 7.5229 7.5229 7.7640 7.7640 10.9133 10.9133 12.5261 12.5261 12.6296 12.6296 14.1460 14.1460 k = 0.5000-0.5268-0.8127 ( 2264 PWs) bands (ev): -33.2128 -33.2128 -14.6729 -14.6729 -13.5486 -13.5486 -13.0646 -13.0646 -9.2898 -9.2898 -8.9993 -8.9993 3.0626 3.0626 3.7098 3.7098 4.0189 4.0189 4.1282 4.1282 4.6034 4.6034 5.0016 5.0016 6.6161 6.6161 6.8944 6.8944 7.3342 7.3342 7.5205 7.5205 7.7638 7.7638 10.9541 10.9541 12.5032 12.5032 12.6695 12.6695 14.0735 14.0735 k = 0.5000-0.5169-0.8289 ( 2264 PWs) bands (ev): -33.2124 -33.2124 -14.6698 -14.6698 -13.5542 -13.5542 -13.0708 -13.0708 -9.2625 -9.2625 -9.0198 -9.0198 3.0550 3.0550 3.7574 3.7574 4.0164 4.0164 4.0893 4.0893 4.6007 4.6007 5.0157 5.0157 6.6263 6.6263 6.8902 6.8902 7.3249 7.3249 7.5182 7.5182 7.7633 7.7633 10.9957 10.9957 12.4826 12.4826 12.7104 12.7104 13.9880 13.9880 k = 0.5000-0.5070-0.8451 ( 2266 PWs) bands (ev): -33.2121 -33.2121 -14.6670 -14.6670 -13.5594 -13.5594 -13.0760 -13.0760 -9.2383 -9.2383 -9.0382 -9.0382 3.0473 3.0473 3.8052 3.8052 4.0148 4.0148 4.0512 4.0512 4.5976 4.5976 5.0283 5.0283 6.6351 6.6351 6.8868 6.8868 7.3157 7.3157 7.5160 7.5160 7.7625 7.7625 11.0380 11.0380 12.4646 12.4646 12.7519 12.7519 13.8908 13.8908 k = 0.5000-0.4971-0.8612 ( 2268 PWs) bands (ev): -33.2117 -33.2117 -14.6646 -14.6646 -13.5640 -13.5640 -13.0803 -13.0803 -9.2191 -9.2191 -9.0523 -9.0523 3.0393 3.0393 3.8531 3.8531 4.0057 4.0057 4.0227 4.0227 4.5940 4.5940 5.0394 5.0394 6.6424 6.6424 6.8842 6.8842 7.3067 7.3067 7.5139 7.5139 7.7615 7.7615 11.0809 11.0809 12.4490 12.4490 12.7936 12.7936 13.7841 13.7841 k = 0.5000-0.4872-0.8774 ( 2258 PWs) bands (ev): -33.2115 -33.2115 -14.6627 -14.6627 -13.5679 -13.5679 -13.0838 -13.0838 -9.2076 -9.2076 -9.0594 -9.0594 3.0313 3.0313 3.9005 3.9005 3.9718 3.9718 4.0214 4.0214 4.5898 4.5898 5.0491 5.0491 6.6483 6.6483 6.8826 6.8826 7.2981 7.2981 7.5119 7.5119 7.7603 7.7603 11.1242 11.1242 12.4355 12.4355 12.8355 12.8355 13.6707 13.6707 k = 0.5000-0.4772-0.8936 ( 2258 PWs) bands (ev): -33.2113 -33.2113 -14.6612 -14.6612 -13.5710 -13.5710 -13.0865 -13.0865 -9.2064 -9.2064 -9.0572 -9.0572 3.0230 3.0230 3.9306 3.9306 3.9516 3.9516 4.0256 4.0256 4.5850 4.5850 5.0573 5.0573 6.6526 6.6526 6.8818 6.8818 7.2898 7.2898 7.5098 7.5098 7.7587 7.7587 11.1680 11.1680 12.4235 12.4235 12.8774 12.8774 13.5534 13.5534 k = 0.5000-0.4673-0.9098 ( 2252 PWs) bands (ev): -33.2111 -33.2111 -14.6600 -14.6600 -13.5733 -13.5733 -13.0884 -13.0884 -9.2147 -9.2147 -9.0463 -9.0463 3.0145 3.0145 3.8970 3.8970 3.9926 3.9926 4.0342 4.0342 4.5796 4.5796 5.0641 5.0641 6.6555 6.6555 6.8817 6.8817 7.2819 7.2819 7.5078 7.5078 7.7568 7.7568 11.2120 11.2120 12.4122 12.4122 12.9192 12.9192 13.4346 13.4346 k = 0.5000-0.4574-0.9259 ( 2252 PWs) bands (ev): -33.2110 -33.2110 -14.6593 -14.6593 -13.5746 -13.5746 -13.0896 -13.0896 -9.2294 -9.2294 -9.0298 -9.0298 3.0058 3.0058 3.8618 3.8618 4.0223 4.0223 4.0573 4.0573 4.5735 4.5735 5.0695 5.0695 6.6568 6.6568 6.8822 6.8822 7.2744 7.2744 7.5058 7.5058 7.7545 7.7545 11.2561 11.2561 12.4006 12.4006 12.9608 12.9608 13.3171 13.3171 k = 0.5000-0.4475-0.9421 ( 2254 PWs) bands (ev): -33.2109 -33.2109 -14.6589 -14.6589 -13.5751 -13.5751 -13.0902 -13.0902 -9.2476 -9.2476 -9.0107 -9.0107 2.9969 2.9969 3.8275 3.8275 4.0357 4.0357 4.0974 4.0974 4.5668 4.5668 5.0736 5.0736 6.6570 6.6570 6.8832 6.8832 7.2674 7.2674 7.5038 7.5038 7.7519 7.7519 11.3004 11.3004 12.3872 12.3872 13.0017 13.0017 13.2034 13.2034 k = 0.5000-0.4376-0.9583 ( 2254 PWs) bands (ev): -33.2110 -33.2110 -14.6588 -14.6588 -13.5746 -13.5746 -13.0901 -13.0901 -9.2675 -9.2675 -8.9907 -8.9907 2.9878 2.9878 3.7944 3.7944 4.0463 4.0463 4.1405 4.1405 4.5595 4.5595 5.0763 5.0763 6.6560 6.6560 6.8846 6.8846 7.2608 7.2608 7.5017 7.5017 7.7489 7.7489 11.3446 11.3446 12.3699 12.3699 13.0389 13.0389 13.0995 13.0995 k = 0.5000-0.4277-0.9745 ( 2250 PWs) bands (ev): -33.2111 -33.2111 -14.6588 -14.6588 -13.5732 -13.5732 -13.0895 -13.0895 -9.2881 -9.2881 -8.9708 -8.9708 2.9784 2.9784 3.7627 3.7627 4.0571 4.0571 4.1831 4.1831 4.5517 4.5517 5.0777 5.0777 6.6541 6.6541 6.8861 6.8861 7.2548 7.2548 7.4997 7.4997 7.7454 7.7454 11.3887 11.3887 12.3460 12.3460 12.9913 12.9913 13.0891 13.0891 k = 0.5000-0.4177-0.9907 ( 2254 PWs) bands (ev): -33.2112 -33.2112 -14.6591 -14.6591 -13.5709 -13.5709 -13.0884 -13.0884 -9.3089 -9.3089 -8.9515 -8.9515 2.9689 2.9689 3.7326 3.7326 4.0689 4.0689 4.2241 4.2241 4.5436 4.5436 5.0778 5.0778 6.6515 6.6515 6.8875 6.8875 7.2494 7.2494 7.4976 7.4976 7.7414 7.7414 11.4327 11.4327 12.3124 12.3124 12.9070 12.9070 13.1277 13.1277 k = 0.5000-0.4078-1.0068 ( 2256 PWs) bands (ev): -33.2115 -33.2115 -14.6594 -14.6594 -13.5677 -13.5677 -13.0868 -13.0868 -9.3295 -9.3295 -8.9333 -8.9333 2.9592 2.9592 3.7041 3.7041 4.0818 4.0818 4.2629 4.2629 4.5354 4.5354 5.0768 5.0768 6.6482 6.6482 6.8888 6.8888 7.2445 7.2445 7.4956 7.4956 7.7368 7.7368 11.4764 11.4764 12.2663 12.2663 12.8367 12.8367 13.1671 13.1671 k = 0.8121-0.3128-0.8202 ( 2256 PWs) bands (ev): -33.2115 -33.2115 -14.6594 -14.6594 -13.5677 -13.5677 -13.0868 -13.0868 -9.3295 -9.3295 -8.9333 -8.9333 2.9592 2.9592 3.7041 3.7041 4.0818 4.0818 4.2629 4.2629 4.5354 4.5354 5.0768 5.0768 6.6482 6.6482 6.8888 6.8888 7.2445 7.2445 7.4956 7.4956 7.7368 7.7368 11.4764 11.4764 12.2663 12.2663 12.8367 12.8367 13.1671 13.1671 k = 0.8065-0.3045-0.8039 ( 2260 PWs) bands (ev): -33.2118 -33.2118 -14.6598 -14.6598 -13.5637 -13.5637 -13.0847 -13.0847 -9.3497 -9.3497 -8.9162 -8.9162 2.9492 2.9492 3.6772 3.6772 4.0958 4.0958 4.2989 4.2989 4.5276 4.5276 5.0745 5.0745 6.6445 6.6445 6.8897 6.8897 7.2402 7.2402 7.4935 7.4935 7.7314 7.7314 11.5203 11.5203 12.2061 12.2061 12.7824 12.7824 13.2064 13.2064 k = 0.8009-0.2962-0.7876 ( 2258 PWs) bands (ev): -33.2122 -33.2122 -14.6601 -14.6601 -13.5590 -13.5590 -13.0823 -13.0823 -9.3692 -9.3692 -8.9005 -8.9005 2.9390 2.9390 3.6522 3.6522 4.1109 4.1109 4.3308 4.3308 4.5211 4.5211 5.0711 5.0711 6.6405 6.6405 6.8903 6.8903 7.2367 7.2367 7.4915 7.4915 7.7253 7.7253 11.5638 11.5638 12.1337 12.1337 12.7434 12.7434 13.2448 13.2448 k = 0.7954-0.2879-0.7713 ( 2260 PWs) bands (ev): -33.2127 -33.2127 -14.6601 -14.6601 -13.5536 -13.5536 -13.0794 -13.0794 -9.3878 -9.3878 -8.8864 -8.8864 2.9287 2.9287 3.6291 3.6291 4.1270 4.1270 4.3569 4.3569 4.5174 4.5174 5.0666 5.0666 6.6362 6.6362 6.8904 6.8904 7.2337 7.2337 7.4896 7.4896 7.7183 7.7183 11.6071 11.6071 12.0523 12.0523 12.7164 12.7164 13.2823 13.2823 k = 0.7898-0.2796-0.7549 ( 2262 PWs) bands (ev): -33.2133 -33.2133 -14.6600 -14.6600 -13.5476 -13.5476 -13.0762 -13.0762 -9.4054 -9.4054 -8.8741 -8.8741 2.9183 2.9183 3.6081 3.6081 4.1442 4.1442 4.3749 4.3749 4.5187 4.5187 5.0611 5.0611 6.6318 6.6318 6.8899 6.8899 7.2315 7.2315 7.4876 7.4876 7.7103 7.7103 11.6499 11.6499 11.9656 11.9656 12.6977 12.6977 13.3185 13.3185 k = 0.7842-0.2713-0.7386 ( 2260 PWs) bands (ev): -33.2140 -33.2140 -14.6595 -14.6595 -13.5411 -13.5411 -13.0726 -13.0726 -9.4219 -9.4219 -8.8635 -8.8635 2.9077 2.9077 3.5892 3.5892 4.1622 4.1622 4.3832 4.3832 4.5265 4.5265 5.0546 5.0546 6.6273 6.6273 6.8888 6.8888 7.2299 7.2299 7.4858 7.4858 7.7011 7.7011 11.6923 11.6923 11.8767 11.8767 12.6843 12.6843 13.3534 13.3534 k = 0.7786-0.2630-0.7223 ( 2266 PWs) bands (ev): -33.2148 -33.2148 -14.6587 -14.6587 -13.5342 -13.5342 -13.0687 -13.0687 -9.4372 -9.4372 -8.8547 -8.8547 2.8970 2.8970 3.5725 3.5725 4.1811 4.1811 4.3822 4.3822 4.5401 4.5401 5.0473 5.0473 6.6228 6.6228 6.8871 6.8871 7.2289 7.2289 7.4840 7.4840 7.6906 7.6906 11.7340 11.7340 11.7882 11.7882 12.6741 12.6741 13.3868 13.3868 k = 0.7731-0.2547-0.7060 ( 2268 PWs) bands (ev): -33.2156 -33.2156 -14.6573 -14.6573 -13.5270 -13.5270 -13.0645 -13.0645 -9.4511 -9.4511 -8.8478 -8.8478 2.8863 2.8863 3.5579 3.5579 4.2008 4.2008 4.3745 4.3745 4.5572 4.5572 5.0390 5.0390 6.6184 6.6184 6.8847 6.8847 7.2286 7.2286 7.4824 7.4824 7.6787 7.6787 11.7000 11.7000 11.7767 11.7767 12.6655 12.6655 13.4186 13.4186 k = 0.7675-0.2464-0.6897 ( 2268 PWs) bands (ev): -33.2166 -33.2166 -14.6555 -14.6555 -13.5196 -13.5196 -13.0600 -13.0600 -9.4637 -9.4637 -8.8429 -8.8429 2.8756 2.8756 3.5455 3.5455 4.2213 4.2213 4.3622 4.3622 4.5753 4.5753 5.0300 5.0300 6.6140 6.6140 6.8816 6.8816 7.2289 7.2289 7.4809 7.4809 7.6654 7.6654 11.6159 11.6159 11.8178 11.8178 12.6574 12.6574 13.4485 13.4485 k = 0.7619-0.2381-0.6734 ( 2264 PWs) bands (ev): -33.2177 -33.2177 -14.6530 -14.6530 -13.5119 -13.5119 -13.0552 -13.0552 -9.4748 -9.4748 -8.8399 -8.8399 2.8649 2.8649 3.5354 3.5354 4.2423 4.2423 4.3471 4.3471 4.5928 4.5928 5.0203 5.0203 6.6098 6.6098 6.8779 6.8779 7.2298 7.2298 7.4794 7.4794 7.6505 7.6505 11.5354 11.5354 11.8585 11.8585 12.6493 12.6493 13.4766 13.4766 k = 0.7564-0.2298-0.6571 ( 2262 PWs) bands (ev): -33.2188 -33.2188 -14.6500 -14.6500 -13.5042 -13.5042 -13.0501 -13.0501 -9.4844 -9.4844 -8.8390 -8.8390 2.8543 2.8543 3.5275 3.5275 4.2639 4.2639 4.3300 4.3300 4.6090 4.6090 5.0098 5.0098 6.6058 6.6058 6.8734 6.8734 7.2312 7.2312 7.4778 7.4778 7.6342 7.6342 11.4593 11.4593 11.8989 11.8989 12.6408 12.6408 13.5026 13.5026 k = 0.7508-0.2215-0.6408 ( 2260 PWs) bands (ev): -33.2200 -33.2200 -14.6463 -14.6463 -13.4964 -13.4964 -13.0448 -13.0448 -9.4925 -9.4925 -8.8400 -8.8400 2.8437 2.8437 3.5217 3.5217 4.2854 4.2854 4.3120 4.3120 4.6232 4.6232 4.9988 4.9988 6.6018 6.6018 6.8681 6.8681 7.2330 7.2330 7.4759 7.4759 7.6165 7.6165 11.3881 11.3881 11.9387 11.9387 12.6316 12.6316 13.5264 13.5264 k = 0.7452-0.2132-0.6244 ( 2262 PWs) bands (ev): -33.2214 -33.2214 -14.6420 -14.6420 -13.4886 -13.4886 -13.0393 -13.0393 -9.4989 -9.4989 -8.8431 -8.8431 2.8333 2.8333 3.5181 3.5181 4.2895 4.2895 4.3108 4.3108 4.6352 4.6352 4.9871 4.9871 6.5981 6.5981 6.8621 6.8621 7.2350 7.2350 7.4734 7.4734 7.5979 7.5979 11.3222 11.3222 11.9779 11.9779 12.6216 12.6216 13.5478 13.5478 k = 0.7396-0.2049-0.6081 ( 2264 PWs) bands (ev): -33.2228 -33.2228 -14.6369 -14.6369 -13.4808 -13.4808 -13.0335 -13.0335 -9.5038 -9.5038 -8.8482 -8.8482 2.8231 2.8231 3.5165 3.5165 4.2699 4.2699 4.3328 4.3328 4.6449 4.6449 4.9749 4.9749 6.5945 6.5945 6.8553 6.8553 7.2370 7.2370 7.4696 7.4696 7.5791 7.5791 11.2619 11.2619 12.0165 12.0165 12.6109 12.6109 13.5668 13.5668 k = 0.7341-0.1965-0.5918 ( 2262 PWs) bands (ev): -33.2243 -33.2243 -14.6312 -14.6312 -13.4730 -13.4730 -13.0275 -13.0275 -9.5070 -9.5070 -8.8554 -8.8554 2.8132 2.8132 3.5169 3.5169 4.2489 4.2489 4.3559 4.3559 4.6522 4.6522 4.9622 4.9622 6.5911 6.5911 6.8476 6.8476 7.2389 7.2389 7.4636 7.4636 7.5615 7.5615 11.2073 11.2073 12.0544 12.0544 12.5996 12.5996 13.5832 13.5832 k = 0.7285-0.1882-0.5755 ( 2260 PWs) bands (ev): -33.2259 -33.2259 -14.6248 -14.6248 -13.4653 -13.4653 -13.0212 -13.0212 -9.5086 -9.5086 -8.8645 -8.8645 2.8036 2.8036 3.5192 3.5192 4.2273 4.2273 4.3793 4.3793 4.6572 4.6572 4.9490 4.9490 6.5879 6.5879 6.8391 6.8391 7.2402 7.2402 7.4539 7.4539 7.5468 7.5468 11.1587 11.1587 12.0915 12.0915 12.5877 12.5877 13.5968 13.5968 k = 0.7229-0.1799-0.5592 ( 2258 PWs) bands (ev): -33.2276 -33.2276 -14.6178 -14.6178 -13.4577 -13.4577 -13.0148 -13.0148 -9.5086 -9.5086 -8.8757 -8.8757 2.7943 2.7943 3.5231 3.5231 4.2055 4.2055 4.4028 4.4028 4.6597 4.6597 4.9354 4.9354 6.5849 6.5849 6.8296 6.8296 7.2401 7.2401 7.4400 7.4400 7.5365 7.5365 11.1161 11.1161 12.1277 12.1277 12.5754 12.5754 13.6074 13.6074 k = 0.7173-0.1716-0.5429 ( 2264 PWs) bands (ev): -33.2293 -33.2293 -14.6101 -14.6101 -13.4501 -13.4501 -13.0082 -13.0082 -9.5069 -9.5069 -8.8888 -8.8888 2.7855 2.7855 3.5284 3.5284 4.1837 4.1837 4.4264 4.4264 4.6601 4.6601 4.9213 4.9213 6.5819 6.5819 6.8189 6.8189 7.2378 7.2378 7.4227 7.4227 7.5307 7.5307 11.0796 11.0796 12.1628 12.1628 12.5628 12.5628 13.6150 13.6150 k = 0.7118-0.1633-0.5266 ( 2264 PWs) bands (ev): -33.2311 -33.2311 -14.6018 -14.6018 -13.4425 -13.4425 -13.0014 -13.0014 -9.5037 -9.5037 -8.9038 -8.9038 2.7772 2.7772 3.5351 3.5351 4.1620 4.1620 4.4498 4.4498 4.6584 4.6584 4.9068 4.9068 6.5790 6.5790 6.8071 6.8071 7.2318 7.2318 7.4047 7.4047 7.5285 7.5285 11.0490 11.0490 12.1967 12.1967 12.5501 12.5501 13.6193 13.6193 k = 0.7062-0.1550-0.5103 ( 2266 PWs) bands (ev): -33.2330 -33.2330 -14.5930 -14.5930 -13.4349 -13.4349 -12.9945 -12.9945 -9.4990 -9.4990 -8.9207 -8.9207 2.7694 2.7694 3.5427 3.5427 4.1409 4.1409 4.4730 4.4730 4.6548 4.6548 4.8920 4.8920 6.5762 6.5762 6.7938 6.7938 7.2205 7.2205 7.3891 7.3891 7.5288 7.5288 11.0242 11.0242 12.2293 12.2293 12.5376 12.5376 13.6203 13.6203 k = 0.7006-0.1467-0.4939 ( 2270 PWs) bands (ev): -33.2350 -33.2350 -14.5837 -14.5837 -13.4272 -13.4272 -12.9874 -12.9874 -9.4928 -9.4928 -8.9395 -8.9395 2.7622 2.7622 3.5509 3.5509 4.1204 4.1204 4.4958 4.4958 4.6496 4.6496 4.8767 4.8767 6.5731 6.5731 6.7790 6.7790 7.2029 7.2029 7.3781 7.3781 7.5308 7.5308 11.0052 11.0052 12.2604 12.2604 12.5255 12.5255 13.6177 13.6177 k = 0.6950-0.1384-0.4776 ( 2272 PWs) bands (ev): -33.2370 -33.2370 -14.5740 -14.5740 -13.4194 -13.4194 -12.9802 -12.9802 -9.4852 -9.4852 -8.9600 -8.9600 2.7558 2.7558 3.5593 3.5593 4.1010 4.1010 4.5180 4.5180 4.6432 4.6432 4.8611 4.8611 6.5698 6.5698 6.7625 6.7625 7.1793 7.1793 7.3723 7.3723 7.5340 7.5340 10.9916 10.9916 12.2897 12.2897 12.5138 12.5138 13.6114 13.6114 k = 0.6895-0.1301-0.4613 ( 2268 PWs) bands (ev): -33.2391 -33.2391 -14.5639 -14.5639 -13.4114 -13.4114 -12.9728 -12.9728 -9.4763 -9.4763 -8.9823 -8.9823 2.7501 2.7501 3.5675 3.5675 4.0830 4.0830 4.5389 4.5389 4.6362 4.6362 4.8453 4.8453 6.5658 6.5658 6.7442 6.7442 7.1515 7.1515 7.3713 7.3713 7.5383 7.5383 10.9833 10.9833 12.3171 12.3171 12.5029 12.5029 13.6014 13.6014 k = 0.6839-0.1218-0.4450 ( 2262 PWs) bands (ev): -33.2412 -33.2412 -14.5535 -14.5535 -13.4032 -13.4032 -12.9652 -12.9652 -9.4661 -9.4661 -9.0061 -9.0061 2.7453 2.7453 3.5749 3.5749 4.0667 4.0667 4.5577 4.5577 4.6298 4.6298 4.8291 4.8291 6.5607 6.5607 6.7242 6.7242 7.1214 7.1214 7.3736 7.3736 7.5434 7.5434 10.9801 10.9801 12.3422 12.3422 12.4930 12.4930 13.5877 13.5877 k = 0.6783-0.1135-0.4287 ( 2256 PWs) bands (ev): -33.2433 -33.2433 -14.5429 -14.5429 -13.3948 -13.3948 -12.9575 -12.9575 -9.4548 -9.4548 -9.0314 -9.0314 2.7413 2.7413 3.5809 3.5809 4.0525 4.0525 4.5720 4.5720 4.6263 4.6263 4.8129 4.8129 6.5536 6.5536 6.7028 6.7028 7.0908 7.0908 7.3784 7.3784 7.5491 7.5491 10.9816 10.9816 12.3648 12.3648 12.4843 12.4843 13.5701 13.5701 k = 0.6728-0.1052-0.4124 ( 2256 PWs) bands (ev): -33.2455 -33.2455 -14.5323 -14.5323 -13.3860 -13.3860 -12.9497 -12.9497 -9.4425 -9.4425 -9.0582 -9.0582 2.7384 2.7384 3.5850 3.5850 4.0407 4.0407 4.5778 4.5778 4.6297 4.6297 4.7969 4.7969 6.5430 6.5430 6.6811 6.6811 7.0610 7.0610 7.3849 7.3849 7.5554 7.5554 10.9875 10.9875 12.3844 12.3844 12.4771 12.4771 13.5488 13.5488 k = 0.6672-0.0969-0.3961 ( 2258 PWs) bands (ev): -33.2477 -33.2477 -14.5215 -14.5215 -13.3768 -13.3768 -12.9416 -12.9416 -9.4295 -9.4295 -9.0861 -9.0861 2.7364 2.7364 3.5866 3.5866 4.0316 4.0316 4.5753 4.5753 4.6396 4.6396 4.7817 4.7817 6.5271 6.5271 6.6610 6.6610 7.0331 7.0331 7.3927 7.3927 7.5621 7.5621 10.9975 10.9975 12.4004 12.4004 12.4721 12.4721 13.5239 13.5239 k = 0.6616-0.0886-0.3798 ( 2256 PWs) bands (ev): -33.2500 -33.2500 -14.5109 -14.5109 -13.3672 -13.3672 -12.9334 -12.9334 -9.4159 -9.4159 -9.1149 -9.1149 2.7356 2.7356 3.5854 3.5854 4.0250 4.0250 4.5689 4.5689 4.6505 4.6505 4.7685 4.7685 6.5039 6.5039 6.6444 6.6444 7.0076 7.0076 7.4014 7.4014 7.5694 7.5694 11.0114 11.0114 12.4123 12.4123 12.4696 12.4696 13.4956 13.4956 k = 0.6560-0.0803-0.3634 ( 2252 PWs) bands (ev): -33.2522 -33.2522 -14.5003 -14.5003 -13.3571 -13.3571 -12.9249 -12.9249 -9.4022 -9.4022 -9.1443 -9.1443 2.7360 2.7360 3.5811 3.5811 4.0208 4.0208 4.5620 4.5620 4.6575 4.6575 4.7597 4.7597 6.4729 6.4729 6.6323 6.6323 6.9848 6.9848 7.4109 7.4109 7.5770 7.5770 11.0287 11.0287 12.4197 12.4197 12.4700 12.4700 13.4641 13.4641 k = 0.6505-0.0720-0.3471 ( 2256 PWs) bands (ev): -33.2545 -33.2545 -14.4901 -14.4901 -13.3465 -13.3465 -12.9163 -12.9163 -9.3889 -9.3889 -9.1737 -9.1737 2.7376 2.7376 3.5737 3.5737 4.0186 4.0186 4.5560 4.5560 4.6564 4.6564 4.7581 4.7581 6.4349 6.4349 6.6241 6.6241 6.9646 6.9646 7.4210 7.4210 7.5849 7.5849 11.0492 11.0492 12.4233 12.4233 12.4723 12.4723 13.4296 13.4296 k = 0.6449-0.0637-0.3308 ( 2258 PWs) bands (ev): -33.2568 -33.2568 -14.4801 -14.4801 -13.3355 -13.3355 -12.9073 -12.9073 -9.3773 -9.3773 -9.2019 -9.2019 2.7404 2.7404 3.5634 3.5634 4.0176 4.0176 4.5518 4.5518 4.6465 4.6465 4.7642 4.7642 6.3919 6.3919 6.6187 6.6187 6.9468 6.9468 7.4316 7.4316 7.5930 7.5930 11.0725 11.0725 12.4248 12.4248 12.4749 12.4749 13.3925 13.3925 k = 0.6393-0.0554-0.3145 ( 2258 PWs) bands (ev): -33.2590 -33.2590 -14.4704 -14.4704 -13.3239 -13.3239 -12.8980 -12.8980 -9.3697 -9.3697 -9.2266 -9.2266 2.7447 2.7447 3.5506 3.5506 4.0170 4.0170 4.5503 4.5503 4.6299 4.6299 4.7754 4.7754 6.3454 6.3454 6.6153 6.6153 6.9312 6.9312 7.4426 7.4426 7.6015 7.6015 11.0984 11.0984 12.4254 12.4254 12.4765 12.4765 13.3531 13.3531 k = 0.6337-0.0471-0.2982 ( 2260 PWs) bands (ev): -33.2613 -33.2613 -14.4613 -14.4613 -13.3119 -13.3119 -12.8884 -12.8884 -9.3699 -9.3699 -9.2437 -9.2437 2.7503 2.7503 3.5357 3.5357 4.0161 4.0161 4.5518 4.5518 4.6090 4.6090 4.7893 4.7893 6.2967 6.2967 6.6131 6.6131 6.9175 6.9175 7.4540 7.4540 7.6101 7.6101 11.1266 11.1266 12.4257 12.4257 12.4764 12.4764 13.3117 13.3117 k = 0.6282-0.0388-0.2819 ( 2254 PWs) bands (ev): -33.2635 -33.2635 -14.4525 -14.4525 -13.2995 -13.2995 -12.8783 -12.8783 -9.3819 -9.3819 -9.2495 -9.2495 2.7574 2.7574 3.5189 3.5189 4.0140 4.0140 4.5561 4.5561 4.5859 4.5859 4.8042 4.8042 6.2468 6.2468 6.6117 6.6117 6.9056 6.9056 7.4658 7.4658 7.6189 7.6189 11.1568 11.1568 12.4254 12.4254 12.4747 12.4747 13.2688 13.2688 k = 0.6226-0.0305-0.2656 ( 2254 PWs) bands (ev): -33.2657 -33.2657 -14.4444 -14.4444 -13.2868 -13.2868 -12.8678 -12.8678 -9.4049 -9.4049 -9.2447 -9.2447 2.7660 2.7660 3.5009 3.5009 4.0104 4.0104 4.5526 4.5526 4.5719 4.5719 4.8195 4.8195 6.1967 6.1967 6.6108 6.6108 6.8951 6.8951 7.4778 7.4778 7.6278 7.6278 11.1887 11.1887 12.4239 12.4239 12.4722 12.4722 13.2246 13.2246 k = 0.6170-0.0222-0.2492 ( 2254 PWs) bands (ev): -33.2679 -33.2679 -14.4368 -14.4368 -13.2738 -13.2738 -12.8568 -12.8568 -9.4347 -9.4347 -9.2335 -9.2335 2.7761 2.7761 3.4819 3.4819 4.0048 4.0048 4.5268 4.5268 4.5819 4.5819 4.8347 4.8347 6.1468 6.1468 6.6102 6.6102 6.8858 6.8858 7.4899 7.4899 7.6368 7.6368 11.2220 11.2220 12.4195 12.4195 12.4704 12.4704 13.1797 13.1797 k = 0.6115-0.0139-0.2329 ( 2260 PWs) bands (ev): -33.2700 -33.2700 -14.4298 -14.4298 -13.2607 -13.2607 -12.8453 -12.8453 -9.4681 -9.4681 -9.2189 -9.2189 2.7877 2.7877 3.4622 3.4622 3.9974 3.9974 4.4965 4.4965 4.5979 4.5979 4.8495 4.8495 6.0979 6.0979 6.6099 6.6099 6.8776 6.8776 7.5022 7.5022 7.6458 7.6458 11.2565 11.2565 12.4108 12.4108 12.4707 12.4707 13.1342 13.1342 k = 0.6059-0.0056-0.2166 ( 2264 PWs) bands (ev): -33.2720 -33.2720 -14.4234 -14.4234 -13.2476 -13.2476 -12.8332 -12.8332 -9.5035 -9.5035 -9.2026 -9.2026 2.8009 2.8009 3.4421 3.4421 3.9881 3.9881 4.4640 4.4640 4.6173 4.6173 4.8638 4.8638 6.0504 6.0504 6.6096 6.6096 6.8704 6.8704 7.5146 7.5146 7.6548 7.6548 11.2919 11.2919 12.3973 12.3973 12.4738 12.4738 13.0888 13.0888 k = 0.6003 0.0027-0.2003 ( 2260 PWs) bands (ev): -33.2740 -33.2740 -14.4175 -14.4175 -13.2346 -13.2346 -12.8205 -12.8205 -9.5398 -9.5398 -9.1856 -9.1856 2.8158 2.8158 3.4219 3.4219 3.9773 3.9773 4.4296 4.4296 4.6395 4.6395 4.8776 4.8776 6.0047 6.0047 6.6094 6.6094 6.8641 6.8641 7.5270 7.5270 7.6638 7.6638 11.3279 11.3279 12.3795 12.3795 12.4791 12.4791 13.0438 13.0438 k = 0.5947 0.0111-0.1840 ( 2256 PWs) bands (ev): -33.2760 -33.2760 -14.4123 -14.4123 -13.2217 -13.2217 -12.8073 -12.8073 -9.5766 -9.5766 -9.1682 -9.1682 2.8322 2.8322 3.4018 3.4018 3.9653 3.9653 4.3934 4.3934 4.6638 4.6638 4.8907 4.8907 5.9610 5.9610 6.6092 6.6092 6.8586 6.8586 7.5394 7.5394 7.6727 7.6727 11.3644 11.3644 12.3582 12.3582 12.4860 12.4860 12.9995 12.9995 k = 0.5892 0.0194-0.1677 ( 2256 PWs) bands (ev): -33.2778 -33.2778 -14.4077 -14.4077 -13.2093 -13.2093 -12.7934 -12.7934 -9.6133 -9.6133 -9.1509 -9.1509 2.8501 2.8501 3.3820 3.3820 3.9524 3.9524 4.3556 4.3556 4.6896 4.6896 4.9032 4.9032 5.9197 5.9197 6.6090 6.6090 6.8537 6.8537 7.5517 7.5517 7.6814 7.6814 11.4010 11.4010 12.3339 12.3339 12.4941 12.4941 12.9563 12.9563 k = 0.5836 0.0277-0.1514 ( 2260 PWs) bands (ev): -33.2796 -33.2796 -14.4035 -14.4035 -13.1973 -13.1973 -12.7791 -12.7791 -9.6498 -9.6498 -9.1339 -9.1339 2.8696 2.8696 3.3626 3.3626 3.9389 3.9389 4.3163 4.3163 4.7162 4.7162 4.9151 4.9151 5.8808 5.8808 6.6088 6.6088 6.8495 6.8495 7.5638 7.5638 7.6900 7.6900 11.4376 11.4376 12.3072 12.3072 12.5029 12.5029 12.9146 12.9146 k = 0.5780 0.0360-0.1351 ( 2258 PWs) bands (ev): -33.2813 -33.2813 -14.3999 -14.3999 -13.1859 -13.1859 -12.7643 -12.7643 -9.6856 -9.6856 -9.1173 -9.1173 2.8905 2.8905 3.3439 3.3439 3.9252 3.9252 4.2757 4.2757 4.7433 4.7433 4.9262 4.9262 5.8445 5.8445 6.6085 6.6085 6.8459 6.8459 7.5756 7.5756 7.6985 7.6985 11.4738 11.4738 12.2786 12.2786 12.5121 12.5121 12.8748 12.8748 k = 0.5724 0.0443-0.1187 ( 2266 PWs) bands (ev): -33.2830 -33.2830 -14.3968 -14.3968 -13.1752 -13.1752 -12.7492 -12.7492 -9.7204 -9.7204 -9.1013 -9.1013 2.9128 2.9128 3.3258 3.3258 3.9115 3.9115 4.2339 4.2339 4.7702 4.7702 4.9367 4.9367 5.8110 5.8110 6.6081 6.6081 6.8427 6.8427 7.5870 7.5870 7.7067 7.7067 11.5094 11.5094 12.2486 12.2486 12.5215 12.5215 12.8370 12.8370 k = 0.5669 0.0526-0.1024 ( 2262 PWs) bands (ev): -33.2845 -33.2845 -14.3941 -14.3941 -13.1652 -13.1652 -12.7339 -12.7339 -9.7542 -9.7542 -9.0861 -9.0861 2.9365 2.9365 3.3086 3.3086 3.8981 3.8981 4.1913 4.1913 4.7966 4.7966 4.9467 4.9467 5.7803 5.7803 6.6078 6.6078 6.8401 6.8401 7.5981 7.5981 7.7148 7.7148 11.5441 11.5441 12.2178 12.2178 12.5309 12.5309 12.8017 12.8017 k = 0.5613 0.0609-0.0861 ( 2262 PWs) bands (ev): -33.2859 -33.2859 -14.3919 -14.3919 -13.1560 -13.1560 -12.7187 -12.7187 -9.7865 -9.7865 -9.0716 -9.0716 2.9612 2.9612 3.2924 3.2924 3.8852 3.8852 4.1482 4.1482 4.8219 4.8219 4.9561 4.9561 5.7524 5.7524 6.6074 6.6074 6.8378 6.8378 7.6085 7.6085 7.7225 7.7225 11.5777 11.5777 12.1865 12.1865 12.5402 12.5402 12.7688 12.7688 k = 0.5557 0.0692-0.0698 ( 2262 PWs) bands (ev): -33.2872 -33.2872 -14.3900 -14.3900 -13.1476 -13.1476 -12.7036 -12.7036 -9.8171 -9.8171 -9.0581 -9.0581 2.9869 2.9869 3.2772 3.2772 3.8729 3.8729 4.1050 4.1050 4.8459 4.8459 4.9649 4.9649 5.7272 5.7272 6.6069 6.6069 6.8359 6.8359 7.6184 7.6184 7.7300 7.7300 11.6098 11.6098 12.1556 12.1556 12.5490 12.5490 12.7387 12.7387 k = 0.5502 0.0775-0.0535 ( 2262 PWs) bands (ev): -33.2884 -33.2884 -14.3884 -14.3884 -13.1400 -13.1400 -12.6890 -12.6890 -9.8457 -9.8457 -9.0457 -9.0457 3.0133 3.0133 3.2632 3.2632 3.8614 3.8614 4.0621 4.0621 4.8680 4.8680 4.9734 4.9734 5.7047 5.7047 6.6065 6.6065 6.8343 6.8343 7.6275 7.6275 7.7371 7.7371 11.6401 11.6401 12.1254 12.1254 12.5573 12.5573 12.7113 12.7113 k = 0.5446 0.0858-0.0372 ( 2264 PWs) bands (ev): -33.2895 -33.2895 -14.3871 -14.3871 -13.1333 -13.1333 -12.6750 -12.6750 -9.8722 -9.8722 -9.0343 -9.0343 3.0400 3.0400 3.2504 3.2504 3.8509 3.8509 4.0199 4.0199 4.8879 4.8879 4.9815 4.9815 5.6848 5.6848 6.6060 6.6060 6.8330 6.8330 7.6358 7.6358 7.7438 7.7438 11.6684 11.6684 12.0966 12.0966 12.5649 12.5649 12.6868 12.6868 k = 0.5390 0.0941-0.0209 ( 2266 PWs) bands (ev): -33.2905 -33.2905 -14.3860 -14.3860 -13.1275 -13.1275 -12.6619 -12.6619 -9.8963 -9.8963 -9.0241 -9.0241 3.0667 3.0667 3.2390 3.2390 3.8413 3.8413 3.9792 3.9792 4.9054 4.9054 4.9893 4.9893 5.6675 5.6675 6.6055 6.6055 6.8320 6.8320 7.6432 7.6432 7.7500 7.7500 11.6943 11.6943 12.0697 12.0697 12.5717 12.5717 12.6652 12.6652 k = 0.5334 0.1024-0.0046 ( 2272 PWs) bands (ev): -33.2913 -33.2913 -14.3851 -14.3851 -13.1225 -13.1225 -12.6500 -12.6500 -9.9176 -9.9176 -9.0152 -9.0152 3.0928 3.0928 3.2289 3.2289 3.8329 3.8329 3.9406 3.9406 4.9201 4.9201 4.9968 4.9968 5.6527 5.6527 6.6051 6.6051 6.8310 6.8310 7.6497 7.6497 7.7556 7.7556 11.7175 11.7175 12.0452 12.0452 12.5777 12.5777 12.6464 12.6464 k = 0.5279 0.1107 0.0118 ( 2272 PWs) bands (ev): -33.2921 -33.2921 -14.3845 -14.3845 -13.1182 -13.1182 -12.6395 -12.6395 -9.9361 -9.9361 -9.0075 -9.0075 3.1176 3.1176 3.2203 3.2203 3.8256 3.8256 3.9050 3.9050 4.9322 4.9322 5.0040 5.0040 5.6404 5.6404 6.6047 6.6047 6.8304 6.8304 7.6553 7.6553 7.7606 7.7606 11.7378 11.7378 12.0237 12.0237 12.5827 12.5827 12.6305 12.6305 k = 0.5223 0.1190 0.0281 ( 2276 PWs) bands (ev): -33.2926 -33.2926 -14.3840 -14.3840 -13.1148 -13.1148 -12.6306 -12.6306 -9.9516 -9.9516 -9.0012 -9.0012 3.1402 3.1402 3.2132 3.2132 3.8194 3.8194 3.8735 3.8735 4.9415 4.9415 5.0105 5.0105 5.6304 5.6304 6.6043 6.6043 6.8298 6.8298 7.6598 7.6598 7.7648 7.7648 11.7548 11.7548 12.0055 12.0055 12.5869 12.5869 12.6176 12.6176 k = 0.5167 0.1273 0.0444 ( 2276 PWs) bands (ev): -33.2931 -33.2931 -14.3836 -14.3836 -13.1122 -13.1122 -12.6234 -12.6234 -9.9637 -9.9637 -8.9962 -8.9962 3.1596 3.1596 3.2076 3.2076 3.8144 3.8144 3.8472 3.8472 4.9485 4.9485 5.0161 5.0161 5.6227 5.6227 6.6041 6.6041 6.8294 6.8294 7.6634 7.6634 7.7682 7.7682 11.7683 11.7683 11.9909 11.9909 12.5900 12.5900 12.6077 12.6077 k = 0.5111 0.1356 0.0607 ( 2280 PWs) bands (ev): -33.2934 -33.2934 -14.3834 -14.3834 -13.1103 -13.1103 -12.6182 -12.6182 -9.9725 -9.9725 -8.9926 -8.9926 3.1746 3.1746 3.2036 3.2036 3.8102 3.8102 3.8279 3.8279 4.9532 4.9532 5.0203 5.0203 5.6172 5.6172 6.6038 6.6038 6.8291 6.8291 7.6659 7.6659 7.7707 7.7707 11.7781 11.7781 11.9803 11.9803 12.5920 12.5920 12.6008 12.6008 k = 0.5056 0.1439 0.0770 ( 2284 PWs) bands (ev): -33.2936 -33.2936 -14.3832 -14.3832 -13.1092 -13.1092 -12.6150 -12.6150 -9.9779 -9.9779 -8.9905 -8.9905 3.1841 3.1841 3.2012 3.2012 3.8061 3.8061 3.8172 3.8172 4.9559 4.9559 5.0230 5.0230 5.6139 5.6139 6.6036 6.6036 6.8289 6.8289 7.6675 7.6675 7.7722 7.7722 11.7840 11.7840 11.9739 11.9739 12.5926 12.5926 12.5973 12.5973 k = 0.5000 0.1522 0.0933 ( 2286 PWs) bands (ev): -33.2937 -33.2937 -14.3832 -14.3832 -13.1088 -13.1088 -12.6139 -12.6139 -9.9796 -9.9796 -8.9898 -8.9898 3.1874 3.1874 3.2004 3.2004 3.8039 3.8039 3.8144 3.8144 4.9568 4.9568 5.0239 5.0239 5.6128 5.6128 6.6036 6.6036 6.8289 6.8289 7.6680 7.6680 7.7727 7.7727 11.7860 11.7860 11.9717 11.9717 12.5922 12.5922 12.5967 12.5967 k = 0.5000 0.1522 0.0933 ( 2286 PWs) bands (ev): -33.2937 -33.2937 -14.3832 -14.3832 -13.1088 -13.1088 -12.6139 -12.6139 -9.9796 -9.9796 -8.9898 -8.9898 3.1874 3.1874 3.2004 3.2004 3.8039 3.8039 3.8144 3.8144 4.9568 4.9568 5.0239 5.0239 5.6128 5.6128 6.6036 6.6036 6.8289 6.8289 7.6680 7.6680 7.7727 7.7727 11.7860 11.7860 11.9717 11.9717 12.5922 12.5922 12.5967 12.5967 k = 0.4821 0.1468 0.0900 ( 2280 PWs) bands (ev): -33.2937 -33.2937 -14.3831 -14.3831 -13.1088 -13.1088 -12.6139 -12.6139 -9.9803 -9.9803 -8.9890 -8.9890 3.1149 3.1149 3.2739 3.2739 3.8027 3.8027 3.8132 3.8132 4.9592 4.9592 5.0263 5.0263 5.6124 5.6124 6.6036 6.6036 6.8289 6.8289 7.6664 7.6664 7.7711 7.7711 11.7632 11.7632 11.9944 11.9944 12.5924 12.5924 12.5969 12.5969 k = 0.4643 0.1414 0.0867 ( 2280 PWs) bands (ev): -33.2937 -33.2937 -14.3830 -14.3830 -13.1087 -13.1087 -12.6139 -12.6139 -9.9824 -9.9824 -8.9867 -8.9867 3.0376 3.0376 3.3544 3.3544 3.7990 3.7990 3.8097 3.8097 4.9662 4.9662 5.0332 5.0332 5.6112 5.6112 6.6035 6.6035 6.8288 6.8288 7.6617 7.6617 7.7664 7.7664 11.7125 11.7125 12.0450 12.0450 12.5930 12.5930 12.5975 12.5975 k = 0.4464 0.1359 0.0833 ( 2286 PWs) bands (ev): -33.2937 -33.2937 -14.3829 -14.3829 -13.1085 -13.1085 -12.6140 -12.6140 -9.9859 -9.9859 -8.9830 -8.9830 2.9616 2.9616 3.4355 3.4355 3.7930 3.7930 3.8040 3.8040 4.9778 4.9778 5.0446 5.0446 5.6091 5.6091 6.6032 6.6032 6.8286 6.8286 7.6538 7.6538 7.7586 7.7586 11.6517 11.6517 12.1055 12.1055 12.5938 12.5938 12.5984 12.5984 k = 0.4286 0.1305 0.0800 ( 2289 PWs) bands (ev): -33.2937 -33.2937 -14.3827 -14.3827 -13.1082 -13.1082 -12.6140 -12.6140 -9.9906 -9.9906 -8.9779 -8.9779 2.8872 2.8872 3.5172 3.5172 3.7849 3.7849 3.7962 3.7962 4.9938 4.9938 5.0602 5.0602 5.6063 5.6063 6.6030 6.6030 6.8284 6.8284 7.6428 7.6428 7.7476 7.7476 11.5870 11.5870 12.1701 12.1701 12.5950 12.5950 12.5998 12.5998 k = 0.4107 0.1250 0.0767 ( 2289 PWs) bands (ev): -33.2937 -33.2937 -14.3825 -14.3825 -13.1079 -13.1079 -12.6139 -12.6139 -9.9965 -9.9965 -8.9715 -8.9715 2.8145 2.8145 3.5990 3.5990 3.7750 3.7750 3.7866 3.7866 5.0139 5.0139 5.0799 5.0799 5.6027 5.6027 6.6027 6.6027 6.8282 6.8282 7.6289 7.6289 7.7338 7.7338 11.5204 11.5204 12.2366 12.2366 12.5965 12.5965 12.6016 12.6016 k = 0.3929 0.1196 0.0733 ( 2289 PWs) bands (ev): -33.2937 -33.2937 -14.3822 -14.3822 -13.1075 -13.1075 -12.6139 -12.6139 -10.0035 -10.0035 -8.9640 -8.9640 2.7437 2.7437 3.6808 3.6808 3.7635 3.7635 3.7754 3.7754 5.0377 5.0377 5.1034 5.1034 5.5984 5.5984 6.6023 6.6023 6.8280 6.8280 7.6121 7.6121 7.7170 7.7170 11.4528 11.4528 12.3045 12.3045 12.5983 12.5983 12.6038 12.6038 k = 0.3750 0.1142 0.0700 ( 2289 PWs) bands (ev): -33.2937 -33.2937 -14.3818 -14.3818 -13.1071 -13.1071 -12.6139 -12.6139 -10.0114 -10.0114 -8.9554 -8.9554 2.6749 2.6749 3.7485 3.7485 3.7629 3.7629 3.7644 3.7644 5.0649 5.0649 5.1302 5.1302 5.5935 5.5935 6.6018 6.6018 6.8277 6.8277 7.5925 7.5925 7.6975 7.6975 11.3848 11.3848 12.3732 12.3732 12.6004 12.6004 12.6066 12.6066 k = 0.3571 0.1087 0.0667 ( 2295 PWs) bands (ev): -33.2937 -33.2937 -14.3815 -14.3815 -13.1066 -13.1066 -12.6139 -12.6139 -10.0201 -10.0201 -8.9460 -8.9460 2.6083 2.6083 3.7360 3.7360 3.7493 3.7493 3.8441 3.8441 5.0952 5.0952 5.1601 5.1601 5.5880 5.5880 6.6014 6.6014 6.8274 6.8274 7.5702 7.5702 7.6754 7.6754 11.3167 11.3167 12.4422 12.4422 12.6027 12.6027 12.6103 12.6103 k = 0.3393 0.1033 0.0633 ( 2295 PWs) bands (ev): -33.2937 -33.2937 -14.3811 -14.3811 -13.1060 -13.1060 -12.6139 -12.6139 -10.0295 -10.0295 -8.9358 -8.9358 2.5441 2.5441 3.7213 3.7213 3.7350 3.7350 3.9243 3.9243 5.1283 5.1283 5.1928 5.1928 5.5821 5.5821 6.6008 6.6008 6.8270 6.8270 7.5455 7.5455 7.6508 7.6508 11.2487 11.2487 12.5102 12.5102 12.6051 12.6051 12.6160 12.6160 k = 0.3214 0.0979 0.0600 ( 2295 PWs) bands (ev): -33.2937 -33.2937 -14.3806 -14.3806 -13.1054 -13.1054 -12.6139 -12.6139 -10.0394 -10.0394 -8.9251 -8.9251 2.4823 2.4823 3.7060 3.7060 3.7201 3.7201 4.0036 4.0036 5.1636 5.1636 5.2278 5.2278 5.5757 5.5757 6.6003 6.6003 6.8268 6.8268 7.5184 7.5184 7.6240 7.6240 11.1811 11.1811 12.5704 12.5704 12.6078 12.6078 12.6306 12.6306 k = 0.3036 0.0924 0.0567 ( 2289 PWs) bands (ev): -33.2937 -33.2937 -14.3801 -14.3801 -13.1048 -13.1048 -12.6139 -12.6139 -10.0496 -10.0496 -8.9139 -8.9139 2.4231 2.4231 3.6904 3.6904 3.7050 3.7050 4.0815 4.0815 5.2009 5.2009 5.2649 5.2649 5.5691 5.5691 6.5996 6.5996 6.8264 6.8264 7.4893 7.4893 7.5952 7.5952 11.1143 11.1143 12.6002 12.6002 12.6105 12.6105 12.6764 12.6764 k = 0.2857 0.0870 0.0533 ( 2292 PWs) bands (ev): -33.2937 -33.2937 -14.3797 -14.3797 -13.1041 -13.1041 -12.6139 -12.6139 -10.0600 -10.0600 -8.9025 -8.9025 2.3666 2.3666 3.6748 3.6748 3.6898 3.6898 4.1578 4.1578 5.2398 5.2398 5.3036 5.3036 5.5622 5.5622 6.5988 6.5988 6.8260 6.8260 7.4583 7.4583 7.5646 7.5646 11.0484 11.0484 12.6094 12.6094 12.6134 12.6134 12.7435 12.7435 k = 0.2679 0.0815 0.0500 ( 2292 PWs) bands (ev): -33.2937 -33.2937 -14.3792 -14.3792 -13.1035 -13.1035 -12.6139 -12.6139 -10.0706 -10.0706 -8.8910 -8.8910 2.3129 2.3129 3.6594 3.6594 3.6747 3.6747 4.2321 4.2321 5.2798 5.2798 5.3437 5.3437 5.5554 5.5554 6.5979 6.5979 6.8255 6.8255 7.4257 7.4257 7.5324 7.5324 10.9841 10.9841 12.6144 12.6144 12.6162 12.6162 12.8152 12.8152 k = 0.2500 0.0761 0.0467 ( 2286 PWs) bands (ev): -33.2937 -33.2937 -14.3786 -14.3786 -13.1028 -13.1028 -12.6139 -12.6139 -10.0810 -10.0810 -8.8796 -8.8796 2.2621 2.2621 3.6442 3.6442 3.6599 3.6599 4.3041 4.3041 5.3206 5.3206 5.3847 5.3847 5.5487 5.5487 6.5970 6.5970 6.8251 6.8251 7.3919 7.3919 7.4991 7.4991 10.9214 10.9214 12.6184 12.6184 12.6191 12.6191 12.8882 12.8882 k = 0.2321 0.0707 0.0433 ( 2286 PWs) bands (ev): -33.2937 -33.2937 -14.3781 -14.3781 -13.1021 -13.1021 -12.6138 -12.6138 -10.0913 -10.0913 -8.8683 -8.8683 2.2144 2.2144 3.6296 3.6296 3.6456 3.6456 4.3734 4.3734 5.3615 5.3615 5.4262 5.4262 5.5424 5.5424 6.5960 6.5960 6.8247 6.8247 7.3569 7.3569 7.4647 7.4647 10.8607 10.8607 12.6218 12.6218 12.6220 12.6220 12.9615 12.9615 k = 0.2143 0.0652 0.0400 ( 2282 PWs) bands (ev): -33.2937 -33.2937 -14.3776 -14.3776 -13.1014 -13.1014 -12.6138 -12.6138 -10.1013 -10.1013 -8.8573 -8.8573 2.1699 2.1699 3.6156 3.6156 3.6318 3.6318 4.4396 4.4396 5.4020 5.4020 5.4680 5.4680 5.5370 5.5370 6.5949 6.5949 6.8243 6.8243 7.3213 7.3213 7.4299 7.4299 10.8025 10.8025 12.6248 12.6248 12.6250 12.6250 13.0344 13.0344 k = 0.1964 0.0598 0.0367 ( 2282 PWs) bands (ev): -33.2937 -33.2937 -14.3771 -14.3771 -13.1007 -13.1007 -12.6138 -12.6138 -10.1109 -10.1109 -8.8468 -8.8468 2.1285 2.1285 3.6023 3.6023 3.6188 3.6188 4.5025 4.5025 5.4403 5.4403 5.5095 5.5095 5.5335 5.5335 6.5937 6.5937 6.8239 6.8239 7.2854 7.2854 7.3948 7.3948 10.7471 10.7471 12.6275 12.6275 12.6279 12.6279 13.1064 13.1064 k = 0.1786 0.0544 0.0333 ( 2288 PWs) bands (ev): -33.2937 -33.2937 -14.3767 -14.3767 -13.1001 -13.1001 -12.6138 -12.6138 -10.1199 -10.1199 -8.8368 -8.8368 2.0904 2.0904 3.5899 3.5899 3.6066 3.6066 4.5616 4.5616 5.4726 5.4726 5.5356 5.5356 5.5504 5.5504 6.5924 6.5924 6.8234 6.8234 7.2496 7.2496 7.3599 7.3599 10.6947 10.6947 12.6300 12.6300 12.6306 12.6306 13.1769 13.1769 k = 0.1607 0.0489 0.0300 ( 2285 PWs) bands (ev): -33.2937 -33.2937 -14.3762 -14.3762 -13.0995 -13.0995 -12.6138 -12.6138 -10.1284 -10.1284 -8.8274 -8.8274 2.0558 2.0558 3.5784 3.5784 3.5953 3.5953 4.6166 4.6166 5.4901 5.4901 5.5519 5.5519 5.5901 5.5901 6.5911 6.5911 6.8230 6.8230 7.2144 7.2144 7.3258 7.3258 10.6460 10.6460 12.6324 12.6324 12.6331 12.6331 13.2452 13.2452 k = 0.1429 0.0435 0.0267 ( 2270 PWs) bands (ev): -33.2937 -33.2937 -14.3758 -14.3758 -13.0989 -13.0989 -12.6138 -12.6138 -10.1362 -10.1362 -8.8188 -8.8188 2.0246 2.0246 3.5680 3.5680 3.5851 3.5851 4.6671 4.6671 5.4933 5.4933 5.5812 5.5812 5.6282 5.6282 6.5898 6.5898 6.8227 6.8227 7.1804 7.1804 7.2930 7.2930 10.6011 10.6011 12.6346 12.6346 12.6354 12.6354 13.3106 13.3106 k = 0.1250 0.0381 0.0233 ( 2264 PWs) bands (ev): -33.2937 -33.2937 -14.3754 -14.3754 -13.0984 -13.0984 -12.6138 -12.6138 -10.1433 -10.1433 -8.8110 -8.8110 1.9969 1.9969 3.5587 3.5587 3.5759 3.5759 4.7127 4.7127 5.4913 5.4913 5.6138 5.6138 5.6641 5.6641 6.5884 6.5884 6.8224 6.8224 7.1480 7.1480 7.2619 7.2619 10.5605 10.5605 12.6366 12.6366 12.6375 12.6375 13.3721 13.3721 k = 0.1071 0.0326 0.0200 ( 2264 PWs) bands (ev): -33.2938 -33.2938 -14.3750 -14.3750 -13.0979 -13.0979 -12.6138 -12.6138 -10.1495 -10.1495 -8.8041 -8.8041 1.9728 1.9728 3.5504 3.5504 3.5678 3.5678 4.7530 4.7530 5.4881 5.4881 5.6454 5.6454 5.6971 5.6971 6.5869 6.5869 6.8221 6.8221 7.1180 7.1180 7.2331 7.2331 10.5245 10.5245 12.6384 12.6384 12.6393 12.6393 13.4288 13.4288 k = 0.0893 0.0272 0.0167 ( 2276 PWs) bands (ev): -33.2938 -33.2938 -14.3748 -14.3748 -13.0975 -13.0975 -12.6138 -12.6138 -10.1549 -10.1549 -8.7981 -8.7981 1.9523 1.9523 3.5434 3.5434 3.5608 3.5608 4.7878 4.7878 5.4847 5.4847 5.6743 5.6743 5.7267 5.7267 6.5854 6.5854 6.8218 6.8218 7.0908 7.0908 7.2073 7.2073 10.4934 10.4934 12.6399 12.6399 12.6408 12.6408 13.4796 13.4796 k = 0.0714 0.0217 0.0133 ( 2282 PWs) bands (ev): -33.2938 -33.2938 -14.3745 -14.3745 -13.0972 -13.0972 -12.6138 -12.6138 -10.1594 -10.1594 -8.7932 -8.7932 1.9354 1.9354 3.5376 3.5376 3.5551 3.5551 4.8167 4.8167 5.4817 5.4817 5.6994 5.6994 5.7521 5.7521 6.5840 6.5840 6.8216 6.8216 7.0672 7.0672 7.1851 7.1851 10.4676 10.4676 12.6412 12.6412 12.6421 12.6421 13.5234 13.5234 k = 0.0536 0.0163 0.0100 ( 2282 PWs) bands (ev): -33.2938 -33.2938 -14.3743 -14.3743 -13.0969 -13.0969 -12.6138 -12.6138 -10.1629 -10.1629 -8.7893 -8.7893 1.9223 1.9223 3.5330 3.5330 3.5506 3.5506 4.8395 4.8395 5.4791 5.4791 5.7199 5.7199 5.7727 5.7727 6.5828 6.5828 6.8214 6.8214 7.0481 7.0481 7.1671 7.1671 10.4472 10.4472 12.6422 12.6422 12.6431 12.6431 13.5590 13.5590 k = 0.0357 0.0109 0.0067 ( 2279 PWs) bands (ev): -33.2938 -33.2938 -14.3742 -14.3742 -13.0967 -13.0967 -12.6138 -12.6138 -10.1654 -10.1654 -8.7865 -8.7865 1.9129 1.9129 3.5298 3.5298 3.5474 3.5474 4.8559 4.8559 5.4773 5.4773 5.7350 5.7350 5.7879 5.7879 6.5819 6.5819 6.8213 6.8213 7.0340 7.0340 7.1538 7.1538 10.4326 10.4326 12.6429 12.6429 12.6439 12.6439 13.5854 13.5854 k = 0.0179 0.0054 0.0033 ( 2285 PWs) bands (ev): -33.2938 -33.2938 -14.3741 -14.3741 -13.0966 -13.0966 -12.6138 -12.6138 -10.1669 -10.1669 -8.7848 -8.7848 1.9072 1.9072 3.5278 3.5278 3.5454 3.5454 4.8659 4.8659 5.4761 5.4761 5.7443 5.7443 5.7973 5.7973 6.5813 6.5813 6.8212 6.8212 7.0252 7.0252 7.1457 7.1457 10.4237 10.4237 12.6434 12.6434 12.6443 12.6443 13.6017 13.6017 k = 0.0000 0.0000 0.0000 ( 2279 PWs) bands (ev): -33.2938 -33.2938 -14.3741 -14.3741 -13.0966 -13.0966 -12.6138 -12.6138 -10.1674 -10.1674 -8.7842 -8.7842 1.9053 1.9053 3.5271 3.5271 3.5448 3.5448 4.8692 4.8692 5.4757 5.4757 5.7475 5.7475 5.8004 5.8004 6.5811 6.5811 6.8211 6.8211 7.0223 7.0223 7.1430 7.1430 10.4207 10.4207 12.6435 12.6435 12.6445 12.6445 13.6072 13.6072 k = 0.0000 0.0000 0.0000 ( 2279 PWs) bands (ev): -33.2938 -33.2938 -14.3741 -14.3741 -13.0966 -13.0966 -12.6138 -12.6138 -10.1674 -10.1674 -8.7842 -8.7842 1.9053 1.9053 3.5271 3.5271 3.5448 3.5448 4.8692 4.8692 5.4757 5.4757 5.7475 5.7475 5.8004 5.8004 6.5811 6.5811 6.8211 6.8211 7.0223 7.0223 7.1430 7.1430 10.4207 10.4207 12.6435 12.6435 12.6445 12.6445 13.6072 13.6072 k = 0.0055-0.0083-0.0162 ( 2285 PWs) bands (ev): -33.2937 -33.2937 -14.3741 -14.3741 -13.0970 -13.0970 -12.6149 -12.6149 -10.1656 -10.1656 -8.7850 -8.7850 1.9062 1.9062 3.5273 3.5273 3.5449 3.5449 4.8702 4.8702 5.4725 5.4725 5.7482 5.7482 5.8008 5.8008 6.5812 6.5812 6.8212 6.8212 7.0225 7.0225 7.1432 7.1432 10.4223 10.4223 12.6423 12.6423 12.6455 12.6455 13.6066 13.6066 k = 0.0111-0.0165-0.0325 ( 2285 PWs) bands (ev): -33.2935 -33.2935 -14.3743 -14.3743 -13.0981 -13.0981 -12.6182 -12.6182 -10.1602 -10.1602 -8.7872 -8.7872 1.9089 1.9089 3.5275 3.5275 3.5455 3.5455 4.8733 4.8733 5.4631 5.4631 5.7499 5.7499 5.8023 5.8023 6.5816 6.5816 6.8215 6.8215 7.0234 7.0234 7.1439 7.1439 10.4269 10.4269 12.6374 12.6374 12.6497 12.6497 13.6049 13.6049 k = 0.0166-0.0248-0.0487 ( 2287 PWs) bands (ev): -33.2932 -33.2932 -14.3747 -14.3747 -13.1000 -13.1000 -12.6235 -12.6235 -10.1514 -10.1514 -8.7909 -8.7909 1.9133 1.9133 3.5274 3.5274 3.5469 3.5469 4.8783 4.8783 5.4480 5.4480 5.7513 5.7513 5.8056 5.8056 6.5821 6.5821 6.8220 6.8220 7.0248 7.0248 7.1450 7.1450 10.4345 10.4345 12.6293 12.6293 12.6567 12.6567 13.6021 13.6021 k = 0.0222-0.0331-0.0650 ( 2287 PWs) bands (ev): -33.2927 -33.2927 -14.3751 -14.3751 -13.1028 -13.1028 -12.6309 -12.6309 -10.1391 -10.1391 -8.7960 -8.7960 1.9194 1.9194 3.5266 3.5266 3.5496 3.5496 4.8852 4.8852 5.4280 5.4280 5.7511 5.7511 5.8117 5.8117 6.5828 6.5828 6.8227 6.8227 7.0267 7.0267 7.1467 7.1467 10.4450 10.4450 12.6182 12.6182 12.6665 12.6665 13.5982 13.5982 k = 0.0277-0.0413-0.0812 ( 2287 PWs) bands (ev): -33.2921 -33.2921 -14.3758 -14.3758 -13.1063 -13.1063 -12.6400 -12.6400 -10.1235 -10.1235 -8.8026 -8.8026 1.9273 1.9273 3.5249 3.5249 3.5539 3.5539 4.8938 4.8938 5.4036 5.4036 5.7483 5.7483 5.8208 5.8208 6.5838 6.5838 6.8236 6.8236 7.0292 7.0292 7.1488 7.1488 10.4584 10.4584 12.6045 12.6045 12.6789 12.6789 13.5932 13.5932 k = 0.0333-0.0496-0.0974 ( 2285 PWs) bands (ev): -33.2914 -33.2914 -14.3766 -14.3766 -13.1106 -13.1106 -12.6507 -12.6507 -10.1048 -10.1048 -8.8105 -8.8105 1.9369 1.9369 3.5224 3.5224 3.5597 3.5597 4.9040 4.9040 5.3754 5.3754 5.7429 5.7429 5.8327 5.8327 6.5849 6.5849 6.8247 6.8247 7.0323 7.0323 7.1514 7.1514 10.4746 10.4746 12.5884 12.5884 12.6939 12.6939 13.5871 13.5871 k = 0.0388-0.0579-0.1137 ( 2271 PWs) bands (ev): -33.2906 -33.2906 -14.3776 -14.3776 -13.1158 -13.1158 -12.6629 -12.6629 -10.0833 -10.0833 -8.8198 -8.8198 1.9481 1.9481 3.5194 3.5194 3.5670 3.5670 4.9155 4.9155 5.3439 5.3439 5.7354 5.7354 5.8466 5.8466 6.5863 6.5863 6.8262 6.8262 7.0360 7.0360 7.1545 7.1545 10.4933 10.4933 12.5704 12.5704 12.7113 12.7113 13.5799 13.5799 k = 0.0444-0.0661-0.1299 ( 2277 PWs) bands (ev): -33.2896 -33.2896 -14.3789 -14.3789 -13.1219 -13.1219 -12.6761 -12.6761 -10.0591 -10.0591 -8.8304 -8.8304 1.9609 1.9609 3.5160 3.5160 3.5754 3.5754 4.9282 4.9282 5.3096 5.3096 5.7259 5.7259 5.8622 5.8622 6.5878 6.5878 6.8278 6.8278 7.0401 7.0401 7.1581 7.1581 10.5144 10.5144 12.5508 12.5508 12.7309 12.7309 13.5716 13.5716 k = 0.0499-0.0744-0.1462 ( 2273 PWs) bands (ev): -33.2885 -33.2885 -14.3805 -14.3805 -13.1288 -13.1288 -12.6903 -12.6903 -10.0325 -10.0325 -8.8422 -8.8422 1.9753 1.9753 3.5125 3.5125 3.5850 3.5850 4.9418 4.9418 5.2727 5.2727 5.7147 5.7147 5.8791 5.8791 6.5893 6.5893 6.8297 6.8297 7.0448 7.0448 7.1623 7.1623 10.5377 10.5377 12.5300 12.5300 12.7527 12.7527 13.5622 13.5622 k = 0.0555-0.0827-0.1624 ( 2277 PWs) bands (ev): -33.2873 -33.2873 -14.3824 -14.3824 -13.1366 -13.1366 -12.7050 -12.7050 -10.0037 -10.0037 -8.8551 -8.8551 1.9912 1.9912 3.5089 3.5089 3.5957 3.5957 4.9560 4.9560 5.2335 5.2335 5.7020 5.7020 5.8972 5.8972 6.5910 6.5910 6.8319 6.8319 7.0499 7.0499 7.1670 7.1670 10.5631 10.5631 12.5085 12.5085 12.7763 12.7763 13.5519 13.5519 k = 0.0610-0.0909-0.1786 ( 2277 PWs) bands (ev): -33.2860 -33.2860 -14.3846 -14.3846 -13.1454 -13.1454 -12.7202 -12.7202 -9.9729 -9.9729 -8.8691 -8.8691 2.0085 2.0085 3.5056 3.5056 3.6073 3.6073 4.9706 4.9706 5.1924 5.1924 5.6879 5.6879 5.9163 5.9163 6.5928 6.5928 6.8344 6.8344 7.0556 7.0556 7.1723 7.1723 10.5903 10.5903 12.4865 12.4865 12.8015 12.8015 13.5407 13.5407 k = 0.0666-0.0992-0.1949 ( 2275 PWs) bands (ev): -33.2846 -33.2846 -14.3872 -14.3872 -13.1550 -13.1550 -12.7355 -12.7355 -9.9405 -9.9405 -8.8842 -8.8842 2.0272 2.0272 3.5025 3.5025 3.6198 3.6198 4.9854 4.9854 5.1497 5.1497 5.6724 5.6724 5.9365 5.9365 6.5947 6.5947 6.8373 6.8373 7.0618 7.0618 7.1783 7.1783 10.6191 10.6191 12.4645 12.4645 12.8280 12.8280 13.5287 13.5287 k = 0.0721-0.1075-0.2111 ( 2273 PWs) bands (ev): -33.2831 -33.2831 -14.3902 -14.3902 -13.1654 -13.1654 -12.7507 -12.7507 -9.9066 -9.9066 -8.9001 -8.9001 2.0472 2.0472 3.4999 3.4999 3.6331 3.6331 5.0002 5.0002 5.1056 5.1056 5.6557 5.6557 5.9576 5.9576 6.5966 6.5966 6.8406 6.8406 7.0684 7.0684 7.1848 7.1848 10.6493 10.6493 12.4428 12.4428 12.8555 12.8555 13.5162 13.5162 k = 0.0777-0.1157-0.2274 ( 2275 PWs) bands (ev): -33.2815 -33.2815 -14.3937 -14.3937 -13.1766 -13.1766 -12.7657 -12.7657 -9.8715 -9.8715 -8.9169 -8.9169 2.0684 2.0684 3.4978 3.4978 3.6472 3.6472 5.0145 5.0145 5.0603 5.0603 5.6377 5.6377 5.9797 5.9797 6.5985 6.5985 6.8443 6.8443 7.0755 7.0755 7.1921 7.1921 10.6806 10.6806 12.4217 12.4217 12.8835 12.8835 13.5034 13.5034 k = 0.0832-0.1240-0.2436 ( 2271 PWs) bands (ev): -33.2798 -33.2798 -14.3977 -14.3977 -13.1886 -13.1886 -12.7803 -12.7803 -9.8355 -9.8355 -8.9344 -8.9344 2.0907 2.0907 3.4963 3.4963 3.6618 3.6618 5.0134 5.0134 5.0293 5.0293 5.6186 5.6186 6.0028 6.0028 6.6005 6.6005 6.8484 6.8484 7.0829 7.0829 7.2001 7.2001 10.7129 10.7129 12.4016 12.4016 12.9116 12.9116 13.4907 13.4907 k = 0.0888-0.1323-0.2598 ( 2277 PWs) bands (ev): -33.2780 -33.2780 -14.4022 -14.4022 -13.2011 -13.2011 -12.7944 -12.7944 -9.7987 -9.7987 -8.9525 -8.9525 2.1142 2.1142 3.4955 3.4955 3.6770 3.6770 4.9671 4.9671 5.0422 5.0422 5.5984 5.5984 6.0268 6.0268 6.6024 6.6024 6.8529 6.8529 7.0906 7.0906 7.2088 7.2088 10.7458 10.7458 12.3825 12.3825 12.9389 12.9389 13.4787 13.4787 k = 0.0943-0.1405-0.2761 ( 2277 PWs) bands (ev): -33.2762 -33.2762 -14.4072 -14.4072 -13.2142 -13.2142 -12.8079 -12.8079 -9.7614 -9.7614 -8.9711 -8.9711 2.1386 2.1386 3.4955 3.4955 3.6926 3.6926 4.9199 4.9199 5.0547 5.0547 5.5773 5.5773 6.0518 6.0518 6.6044 6.6044 6.8581 6.8581 7.0987 7.0987 7.2182 7.2182 10.7791 10.7791 12.3649 12.3649 12.9649 12.9649 13.4680 13.4680 k = 0.0999-0.1488-0.2923 ( 2277 PWs) bands (ev): -33.2742 -33.2742 -14.4129 -14.4129 -13.2276 -13.2276 -12.8209 -12.8209 -9.7238 -9.7238 -8.9901 -8.9901 2.1639 2.1639 3.4964 3.4964 3.7085 3.7085 4.8727 4.8727 5.0663 5.0663 5.5551 5.5551 6.0776 6.0776 6.6063 6.6063 6.8637 6.8637 7.1070 7.1070 7.2285 7.2285 10.8127 10.8127 12.3488 12.3488 12.9885 12.9885 13.4596 13.4596 k = 0.1054-0.1571-0.3085 ( 2277 PWs) bands (ev): -33.2722 -33.2722 -14.4191 -14.4191 -13.2413 -13.2413 -12.8332 -12.8332 -9.6861 -9.6861 -9.0094 -9.0094 2.1900 2.1900 3.4981 3.4981 3.7245 3.7245 4.8255 4.8255 5.0768 5.0768 5.5320 5.5320 6.1044 6.1044 6.6083 6.6083 6.8699 6.8699 7.1154 7.1154 7.2394 7.2394 10.8461 10.8461 12.3344 12.3344 13.0084 13.0084 13.4545 13.4545 k = 0.1110-0.1653-0.3248 ( 2275 PWs) bands (ev): -33.2702 -33.2702 -14.4260 -14.4260 -13.2551 -13.2551 -12.8449 -12.8449 -9.6485 -9.6485 -9.0288 -9.0288 2.2169 2.2169 3.5008 3.5008 3.7406 3.7406 4.7788 4.7788 5.0861 5.0861 5.5081 5.5081 6.1320 6.1320 6.6103 6.6103 6.8768 6.8768 7.1240 7.1240 7.2511 7.2511 10.8791 10.8791 12.3218 12.3218 13.0237 13.0237 13.4539 13.4539 k = 0.1165-0.1736-0.3410 ( 2275 PWs) bands (ev): -33.2681 -33.2681 -14.4334 -14.4334 -13.2688 -13.2688 -12.8560 -12.8560 -9.6112 -9.6112 -9.0482 -9.0482 2.2444 2.2444 3.5045 3.5045 3.7565 3.7565 4.7327 4.7327 5.0941 5.0941 5.4834 5.4834 6.1604 6.1604 6.6123 6.6123 6.8843 6.8843 7.1328 7.1328 7.2635 7.2635 10.9115 10.9115 12.3112 12.3112 13.0331 13.0331 13.4590 13.4590 k = 0.1221-0.1819-0.3573 ( 2279 PWs) bands (ev): -33.2659 -33.2659 -14.4414 -14.4414 -13.2825 -13.2825 -12.8666 -12.8666 -9.5744 -9.5744 -9.0674 -9.0674 2.2724 2.2724 3.5092 3.5092 3.7722 3.7722 4.6875 4.6875 5.1009 5.1009 5.4579 5.4579 6.1895 6.1895 6.6143 6.6143 6.8926 6.8926 7.1416 7.1416 7.2765 7.2765 10.9429 10.9429 12.3025 12.3025 13.0363 13.0363 13.4702 13.4702 k = 0.1276-0.1901-0.3735 ( 2279 PWs) bands (ev): -33.2638 -33.2638 -14.4500 -14.4500 -13.2958 -13.2958 -12.8767 -12.8767 -9.5382 -9.5382 -9.0863 -9.0863 2.3008 2.3008 3.5148 3.5148 3.7875 3.7875 4.6434 4.6434 5.1064 5.1064 5.4317 5.4317 6.2191 6.2191 6.6165 6.6165 6.9016 6.9016 7.1505 7.1505 7.2901 7.2901 10.9731 10.9731 12.2959 12.2959 13.0331 13.0331 13.4876 13.4876 k = 0.1331-0.1984-0.3897 ( 2269 PWs) bands (ev): -33.2616 -33.2616 -14.4591 -14.4591 -13.3088 -13.3088 -12.8863 -12.8863 -9.5030 -9.5030 -9.1047 -9.1047 2.3297 2.3297 3.5215 3.5215 3.8023 3.8023 4.6006 4.6006 5.1106 5.1106 5.4050 5.4050 6.2493 6.2493 6.6189 6.6189 6.9115 6.9115 7.1595 7.1595 7.3043 7.3043 11.0018 11.0018 12.2914 12.2914 13.0244 13.0244 13.5107 13.5107 k = 0.1387-0.2067-0.4060 ( 2265 PWs) bands (ev): -33.2593 -33.2593 -14.4687 -14.4687 -13.3213 -13.3213 -12.8956 -12.8956 -9.4688 -9.4688 -9.1224 -9.1224 2.3587 2.3587 3.5292 3.5292 3.8162 3.8162 4.5594 4.5594 5.1135 5.1135 5.3776 5.3776 6.2798 6.2798 6.6214 6.6214 6.9222 6.9222 7.1684 7.1684 7.3189 7.3189 11.0286 11.0286 12.2889 12.2889 13.0112 13.0112 13.5385 13.5385 k = 0.1442-0.2149-0.4222 ( 2261 PWs) bands (ev): -33.2571 -33.2571 -14.4787 -14.4787 -13.3334 -13.3334 -12.9045 -12.9045 -9.4362 -9.4362 -9.1391 -9.1391 2.3880 2.3880 3.5378 3.5378 3.8292 3.8292 4.5200 4.5200 5.1151 5.1151 5.3498 5.3498 6.3105 6.3105 6.6243 6.6243 6.9339 6.9339 7.1774 7.1774 7.3338 7.3338 11.0532 11.0532 12.2885 12.2885 12.9944 12.9944 13.5702 13.5702 k = 0.1498-0.2232-0.4385 ( 2263 PWs) bands (ev): -33.2548 -33.2548 -14.4890 -14.4890 -13.3450 -13.3450 -12.9131 -12.9131 -9.4053 -9.4053 -9.1543 -9.1543 2.4174 2.4174 3.5474 3.5474 3.8410 3.8410 4.4826 4.4826 5.1156 5.1156 5.3215 5.3215 6.3410 6.3410 6.6275 6.6275 6.9466 6.9466 7.1864 7.1864 7.3489 7.3489 11.0753 11.0753 12.2900 12.2900 12.9754 12.9754 13.6048 13.6048 k = 0.1553-0.2315-0.4547 ( 2265 PWs) bands (ev): -33.2526 -33.2526 -14.4997 -14.4997 -13.3561 -13.3561 -12.9215 -12.9215 -9.3768 -9.3768 -9.1676 -9.1676 2.4467 2.4467 3.5579 3.5579 3.8516 3.8516 4.4475 4.4475 5.1149 5.1149 5.2929 5.2929 6.3711 6.3711 6.6312 6.6312 6.9604 6.9604 7.1954 7.1954 7.3641 7.3641 11.0948 11.0948 12.2934 12.2934 12.9548 12.9548 13.6416 13.6416 k = 0.1609-0.2397-0.4709 ( 2265 PWs) bands (ev): -33.2503 -33.2503 -14.5106 -14.5106 -13.3666 -13.3666 -12.9296 -12.9296 -9.3515 -9.3515 -9.1782 -9.1782 2.4760 2.4760 3.5692 3.5692 3.8607 3.8607 4.4146 4.4146 5.1131 5.1131 5.2639 5.2639 6.4005 6.4005 6.6357 6.6357 6.9754 6.9754 7.2044 7.2044 7.3794 7.3794 11.1112 11.1112 12.2987 12.2987 12.9337 12.9337 13.6800 13.6800 k = 0.1664-0.2480-0.4872 ( 2271 PWs) bands (ev): -33.2481 -33.2481 -14.5216 -14.5216 -13.3767 -13.3767 -12.9376 -12.9376 -9.3307 -9.3307 -9.1846 -9.1846 2.5052 2.5052 3.5814 3.5814 3.8683 3.8683 4.3843 4.3843 5.1104 5.1104 5.2348 5.2348 6.4287 6.4287 6.6411 6.6411 6.9917 6.9917 7.2134 7.2134 7.3946 7.3946 11.1245 11.1245 12.3058 12.3058 12.9126 12.9126 13.7195 13.7195 k = 0.1720-0.2563-0.5034 ( 2273 PWs) bands (ev): -33.2459 -33.2459 -14.5326 -14.5326 -13.3863 -13.3863 -12.9453 -12.9453 -9.3159 -9.3159 -9.1854 -9.1854 2.5341 2.5341 3.5944 3.5944 3.8742 3.8742 4.3565 4.3565 5.1066 5.1066 5.2056 5.2056 6.4552 6.4552 6.6477 6.6477 7.0094 7.0094 7.2225 7.2225 7.4098 7.4098 11.1344 11.1344 12.3145 12.3145 12.8921 12.8921 13.7598 13.7598 k = 0.1775-0.2645-0.5197 ( 2275 PWs) bands (ev): -33.2437 -33.2437 -14.5436 -14.5436 -13.3955 -13.3955 -12.9530 -12.9530 -9.3079 -9.3079 -9.1797 -9.1797 2.5628 2.5628 3.6081 3.6081 3.8784 3.8784 4.3314 4.3314 5.1019 5.1019 5.1766 5.1766 6.4797 6.4797 6.6557 6.6557 7.0286 7.0286 7.2316 7.2316 7.4247 7.4247 11.1409 11.1409 12.3248 12.3248 12.8726 12.8726 13.8006 13.8006 k = 0.1831-0.2728-0.5359 ( 2271 PWs) bands (ev): -33.2415 -33.2415 -14.5545 -14.5545 -13.4043 -13.4043 -12.9604 -12.9604 -9.3060 -9.3060 -9.1684 -9.1684 2.5912 2.5912 3.6224 3.6224 3.8809 3.8809 4.3088 4.3088 5.0957 5.0957 5.1483 5.1483 6.5015 6.5015 6.6654 6.6654 7.0493 7.0493 7.2408 7.2408 7.4394 7.4394 11.1439 11.1439 12.3365 12.3365 12.8546 12.8546 13.8415 13.8415 k = 0.1886-0.2811-0.5521 ( 2277 PWs) bands (ev): -33.2394 -33.2394 -14.5651 -14.5651 -13.4128 -13.4128 -12.9678 -12.9678 -9.3081 -9.3081 -9.1535 -9.1535 2.6191 2.6191 3.6373 3.6373 3.8820 3.8820 4.2887 4.2887 5.0866 5.0866 5.1224 5.1224 6.5204 6.5204 6.6768 6.6768 7.0715 7.0715 7.2501 7.2501 7.4537 7.4537 11.1434 11.1434 12.3496 12.3496 12.8383 12.8383 13.8824 13.8824 k = 0.1942-0.2893-0.5684 ( 2277 PWs) bands (ev): -33.2373 -33.2373 -14.5755 -14.5755 -13.4210 -13.4210 -12.9751 -12.9751 -9.3120 -9.3120 -9.1370 -9.1370 2.6466 2.6466 3.6528 3.6528 3.8817 3.8817 4.2707 4.2707 5.0706 5.0706 5.1031 5.1031 6.5363 6.5363 6.6900 6.6900 7.0951 7.0951 7.2596 7.2596 7.4677 7.4677 11.1398 11.1398 12.3638 12.3638 12.8238 12.8238 13.9230 13.9230 k = 0.1997-0.2976-0.5846 ( 2279 PWs) bands (ev): -33.2353 -33.2353 -14.5854 -14.5854 -13.4290 -13.4290 -12.9822 -12.9822 -9.3164 -9.3164 -9.1202 -9.1202 2.6736 2.6736 3.6686 3.6686 3.8803 3.8803 4.2547 4.2547 5.0464 5.0464 5.0919 5.0919 6.5494 6.5494 6.7044 6.7044 7.1198 7.1198 7.2695 7.2695 7.4813 7.4813 11.1331 11.1331 12.3791 12.3791 12.8115 12.8115 13.9632 13.9632 k = 0.2053-0.3059-0.6009 ( 2275 PWs) bands (ev): -33.2334 -33.2334 -14.5950 -14.5950 -13.4369 -13.4369 -12.9892 -12.9892 -9.3207 -9.3207 -9.1040 -9.1040 2.7000 2.7000 3.6848 3.6848 3.8782 3.8782 4.2402 4.2402 5.0187 5.0187 5.0841 5.0841 6.5602 6.5602 6.7196 6.7196 7.1453 7.1453 7.2800 7.2800 7.4945 7.4945 11.1238 11.1238 12.3954 12.3954 12.8012 12.8012 14.0027 14.0027 k = 0.2108-0.3141-0.6171 ( 2273 PWs) bands (ev): -33.2315 -33.2315 -14.6040 -14.6040 -13.4446 -13.4446 -12.9961 -12.9961 -9.3242 -9.3242 -9.0889 -9.0889 2.7259 2.7259 3.7013 3.7013 3.8758 3.8758 4.2269 4.2269 4.9901 4.9901 5.0776 5.0776 6.5692 6.5692 6.7351 6.7351 7.1708 7.1708 7.2915 7.2915 7.5073 7.5073 11.1122 11.1122 12.4125 12.4125 12.7930 12.7930 14.0413 14.0414 k = 0.2164-0.3224-0.6333 ( 2273 PWs) bands (ev): -33.2296 -33.2296 -14.6125 -14.6125 -13.4523 -13.4523 -13.0028 -13.0028 -9.3267 -9.3267 -9.0750 -9.0750 2.7510 2.7510 3.7179 3.7179 3.8734 3.8734 4.2144 4.2144 4.9612 4.9612 5.0716 5.0716 6.5767 6.5767 6.7504 6.7504 7.1953 7.1953 7.3046 7.3046 7.5196 7.5196 11.0988 11.0988 12.4302 12.4302 12.7869 12.7869 14.0790 14.0790 k = 0.2219-0.3307-0.6496 ( 2265 PWs) bands (ev): -33.2279 -33.2279 -14.6203 -14.6203 -13.4600 -13.4600 -13.0094 -13.0094 -9.3279 -9.3279 -9.0627 -9.0627 2.7756 2.7756 3.7345 3.7345 3.8713 3.8713 4.2024 4.2024 4.9324 4.9324 5.0662 5.0662 6.5833 6.5833 6.7651 6.7651 7.2179 7.2179 7.3202 7.3202 7.5317 7.5317 11.0842 11.0842 12.4485 12.4485 12.7828 12.7828 14.1156 14.1156 k = 0.2275-0.3389-0.6658 ( 2263 PWs) bands (ev): -33.2262 -33.2262 -14.6275 -14.6275 -13.4676 -13.4676 -13.0159 -13.0159 -9.3279 -9.3279 -9.0520 -9.0520 2.7993 2.7993 3.7511 3.7511 3.8700 3.8700 4.1904 4.1904 4.9040 4.9040 5.0612 5.0612 6.5891 6.5891 6.7789 6.7789 7.2371 7.2371 7.3388 7.3388 7.5435 7.5435 11.0690 11.0690 12.4671 12.4671 12.7805 12.7805 14.1509 14.1509 k = 0.2330-0.3472-0.6821 ( 2269 PWs) bands (ev): -33.2246 -33.2246 -14.6340 -14.6340 -13.4753 -13.4753 -13.0221 -13.0221 -9.3264 -9.3264 -9.0430 -9.0430 2.8223 2.8223 3.7675 3.7675 3.8696 3.8696 4.1783 4.1783 4.8759 4.8759 5.0566 5.0566 6.5943 6.5943 6.7918 6.7918 7.2525 7.2525 7.3604 7.3604 7.5550 7.5550 11.0538 11.0538 12.4859 12.4859 12.7799 12.7799 14.1848 14.1848 k = 0.2386-0.3555-0.6983 ( 2269 PWs) bands (ev): -33.2231 -33.2231 -14.6399 -14.6399 -13.4830 -13.4830 -13.0283 -13.0283 -9.3235 -9.3235 -9.0358 -9.0358 2.8444 2.8444 3.7837 3.7837 3.8705 3.8705 4.1657 4.1657 4.8483 4.8483 5.0526 5.0526 6.5993 6.5993 6.8038 6.8038 7.2645 7.2645 7.3843 7.3843 7.5665 7.5665 11.0391 11.0391 12.5047 12.5047 12.7809 12.7809 14.2172 14.2172 k = 0.2441-0.3637-0.7145 ( 2269 PWs) bands (ev): -33.2217 -33.2217 -14.6450 -14.6450 -13.4907 -13.4907 -13.0342 -13.0342 -9.3192 -9.3192 -9.0303 -9.0303 2.8655 2.8655 3.7995 3.7995 3.8728 3.8728 4.1526 4.1526 4.8214 4.8214 5.0492 5.0492 6.6040 6.6040 6.8148 6.8148 7.2736 7.2736 7.4090 7.4090 7.5781 7.5781 11.0258 11.0258 12.5234 12.5234 12.7832 12.7832 14.2480 14.2480 k = 0.2496-0.3720-0.7308 ( 2269 PWs) bands (ev): -33.2203 -33.2203 -14.6494 -14.6494 -13.4984 -13.4984 -13.0399 -13.0399 -9.3134 -9.3134 -9.0267 -9.0267 2.8858 2.8858 3.8148 3.8148 3.8768 3.8768 4.1387 4.1387 4.7951 4.7951 5.0464 5.0464 6.6086 6.6086 6.8248 6.8248 7.2806 7.2806 7.4333 7.4333 7.5901 7.5901 11.0142 11.0142 12.5418 12.5418 12.7868 12.7868 14.2769 14.2769 k = 0.2552-0.3803-0.7470 ( 2263 PWs) bands (ev): -33.2191 -33.2191 -14.6532 -14.6532 -13.5061 -13.5061 -13.0454 -13.0454 -9.3062 -9.3062 -9.0248 -9.0248 2.9049 2.9049 3.8295 3.8295 3.8827 3.8827 4.1240 4.1240 4.7696 4.7696 5.0444 5.0444 6.6132 6.6132 6.8338 6.8338 7.2859 7.2859 7.4561 7.4561 7.6027 7.6027 11.0051 11.0051 12.5595 12.5595 12.7914 12.7914 14.2506 14.2506 k = 0.2607-0.3885-0.7633 ( 2265 PWs) bands (ev): -33.2179 -33.2179 -14.6562 -14.6562 -13.5136 -13.5136 -13.0506 -13.0506 -9.2977 -9.2977 -9.0246 -9.0246 2.9229 2.9229 3.8435 3.8435 3.8904 3.8904 4.1084 4.1084 4.7450 4.7450 5.0430 5.0430 6.6176 6.6176 6.8419 6.8419 7.2898 7.2898 7.4763 7.4763 7.6160 7.6160 10.9989 10.9989 12.5763 12.5763 12.7969 12.7969 14.1427 14.1427 k = 0.2663-0.3968-0.7795 ( 2265 PWs) bands (ev): -33.2168 -33.2168 -14.6586 -14.6586 -13.5211 -13.5211 -13.0557 -13.0557 -9.2879 -9.2879 -9.0261 -9.0261 2.9397 2.9397 3.8568 3.8568 3.9002 3.9002 4.0919 4.0919 4.7213 4.7213 5.0424 5.0424 6.6220 6.6220 6.8490 6.8490 7.2924 7.2924 7.4936 7.4936 7.6302 7.6302 10.9962 10.9962 12.5918 12.5918 12.8030 12.8030 14.0378 14.0378 k = 0.2718-0.4051-0.7957 ( 2271 PWs) bands (ev): -33.2159 -33.2159 -14.6605 -14.6605 -13.5284 -13.5284 -13.0604 -13.0604 -9.2770 -9.2770 -9.0291 -9.0291 2.9550 2.9550 3.8692 3.8692 3.9120 3.9120 4.0745 4.0745 4.6987 4.6987 5.0425 5.0425 6.6263 6.6263 6.8553 6.8553 7.2939 7.2939 7.5077 7.5077 7.6450 7.6450 10.9973 10.9973 12.6057 12.6057 12.8096 12.8096 13.9369 13.9369 k = 0.2774-0.4133-0.8120 ( 2271 PWs) bands (ev): -33.2150 -33.2150 -14.6617 -14.6617 -13.5354 -13.5354 -13.0649 -13.0649 -9.2652 -9.2652 -9.0335 -9.0335 2.9689 2.9689 3.8809 3.8809 3.9259 3.9259 4.0563 4.0563 4.6771 4.6771 5.0434 5.0434 6.6306 6.6306 6.8608 6.8608 7.2944 7.2944 7.5188 7.5188 7.6599 7.6599 11.0027 11.0027 12.6174 12.6174 12.8163 12.8163 13.8407 13.8407 k = 0.2829-0.4216-0.8282 ( 2271 PWs) bands (ev): -33.2142 -33.2142 -14.6625 -14.6625 -13.5421 -13.5421 -13.0691 -13.0691 -9.2528 -9.2528 -9.0391 -9.0391 2.9812 2.9812 3.8917 3.8917 3.9419 3.9419 4.0374 4.0374 4.6568 4.6568 5.0450 5.0450 6.6348 6.6348 6.8656 6.8656 7.2939 7.2939 7.5271 7.5271 7.6745 7.6745 11.0125 11.0125 12.6261 12.6261 12.8230 12.8230 13.7500 13.7500 k = 0.2885-0.4299-0.8444 ( 2269 PWs) bands (ev): -33.2135 -33.2135 -14.6628 -14.6628 -13.5484 -13.5484 -13.0730 -13.0730 -9.2401 -9.2401 -9.0454 -9.0454 2.9917 2.9917 3.9015 3.9015 3.9598 3.9598 4.0181 4.0181 4.6376 4.6376 5.0473 5.0473 6.6389 6.6389 6.8696 6.8696 7.2925 7.2925 7.5331 7.5331 7.6883 7.6883 11.0269 11.0269 12.6312 12.6312 12.8294 12.8294 13.6658 13.6658 k = 0.2940-0.4381-0.8607 ( 2267 PWs) bands (ev): -33.2129 -33.2129 -14.6627 -14.6627 -13.5543 -13.5543 -13.0766 -13.0766 -9.2280 -9.2280 -9.0518 -9.0518 3.0002 3.0002 3.9102 3.9102 3.9784 3.9784 3.9999 3.9999 4.6197 4.6197 5.0503 5.0503 6.6427 6.6427 6.8729 6.8729 7.2903 7.2903 7.5370 7.5370 7.7007 7.7007 11.0460 11.0460 12.6315 12.6315 12.8351 12.8351 13.5891 13.5891 k = 0.2996-0.4464-0.8769 ( 2263 PWs) bands (ev): -33.2123 -33.2123 -14.6624 -14.6624 -13.5595 -13.5595 -13.0798 -13.0798 -9.2173 -9.2173 -9.0573 -9.0573 3.0068 3.0068 3.9177 3.9177 3.9744 3.9744 4.0064 4.0064 4.6032 4.6032 5.0539 5.0539 6.6464 6.6464 6.8757 6.8757 7.2871 7.2871 7.5392 7.5392 7.7117 7.7117 11.0699 11.0699 12.6261 12.6261 12.8399 12.8399 13.5211 13.5211 k = 0.3051-0.4547-0.8932 ( 2259 PWs) bands (ev): -33.2119 -33.2119 -14.6618 -14.6618 -13.5641 -13.5641 -13.0826 -13.0826 -9.2095 -9.2095 -9.0606 -9.0606 3.0111 3.0111 3.9237 3.9237 3.9553 3.9553 4.0307 4.0307 4.5879 4.5879 5.0581 5.0581 6.6496 6.6496 6.8778 6.8778 7.2832 7.2832 7.5399 7.5399 7.7210 7.7210 11.0984 11.0984 12.6138 12.6138 12.8435 12.8435 13.4632 13.4632 k = 0.3107-0.4629-0.9094 ( 2259 PWs) bands (ev): -33.2116 -33.2116 -14.6612 -14.6612 -13.5680 -13.5680 -13.0851 -13.0851 -9.2063 -9.2063 -9.0600 -9.0600 3.0132 3.0132 3.9244 3.9244 3.9394 3.9394 4.0582 4.0582 4.5740 4.5740 5.0627 5.0627 6.6525 6.6525 6.8795 6.8795 7.2785 7.2785 7.5392 7.5392 7.7284 7.7284 11.1314 11.1314 12.5936 12.5936 12.8455 12.8455 13.4161 13.4161 k = 0.3162-0.4712-0.9256 ( 2263 PWs) bands (ev): -33.2113 -33.2113 -14.6604 -14.6604 -13.5711 -13.5711 -13.0871 -13.0871 -9.2090 -9.2090 -9.0542 -9.0542 3.0128 3.0128 3.9094 3.9094 3.9381 3.9381 4.0882 4.0882 4.5613 4.5613 5.0678 5.0678 6.6547 6.6547 6.8807 6.8807 7.2731 7.2731 7.5373 7.5373 7.7342 7.7342 11.1685 11.1685 12.5652 12.5652 12.8457 12.8457 13.3804 13.3804 k = 0.3218-0.4795-0.9419 ( 2271 PWs) bands (ev): -33.2111 -33.2111 -14.6598 -14.6598 -13.5734 -13.5734 -13.0887 -13.0887 -9.2176 -9.2176 -9.0432 -9.0432 3.0098 3.0098 3.8897 3.8897 3.9409 3.9409 4.1206 4.1206 4.5499 4.5499 5.0731 5.0731 6.6562 6.6562 6.8817 6.8817 7.2670 7.2670 7.5343 7.5343 7.7382 7.7382 11.2096 11.2096 12.5287 12.5287 12.8439 12.8439 13.3559 13.3559 k = 0.3273-0.4877-0.9581 ( 2275 PWs) bands (ev): -33.2110 -33.2110 -14.6592 -14.6592 -13.5747 -13.5747 -13.0897 -13.0897 -9.2313 -9.2313 -9.0279 -9.0279 3.0043 3.0043 3.8697 3.8697 3.9436 3.9436 4.1552 4.1552 4.5398 4.5398 5.0787 5.0787 6.6570 6.6570 6.8825 6.8825 7.2604 7.2604 7.5303 7.5303 7.7409 7.7409 11.2542 11.2542 12.4851 12.4851 12.8400 12.8400 13.3417 13.3417 k = 0.3329-0.4960-0.9744 ( 2277 PWs) bands (ev): -33.2110 -33.2110 -14.6589 -14.6589 -13.5751 -13.5751 -13.0902 -13.0902 -9.2489 -9.2489 -9.0093 -9.0093 2.9962 2.9962 3.8501 3.8501 3.9456 3.9456 4.1919 4.1919 4.5308 4.5308 5.0844 5.0844 6.6568 6.6568 6.8833 6.8833 7.2533 7.2533 7.5254 7.5254 7.7421 7.7421 11.3020 11.3020 12.4356 12.4356 12.8338 12.8338 13.3368 13.3368 k = 0.3384-0.5043-0.9906 ( 2273 PWs) bands (ev): -33.2110 -33.2110 -14.6588 -14.6588 -13.5745 -13.5745 -13.0901 -13.0901 -9.2697 -9.2697 -8.9886 -8.9886 2.9854 2.9854 3.8312 3.8312 3.9471 3.9471 4.2307 4.2307 4.5229 4.5229 5.0902 5.0902 6.6555 6.6555 6.8842 6.8842 7.2458 7.2458 7.5197 7.5197 7.7422 7.7422 11.3524 11.3524 12.3817 12.3817 12.8254 12.8254 13.3397 13.3397 k = 0.3440-0.5125-1.0068 ( 2273 PWs) bands (ev): -33.2111 -33.2111 -14.6590 -14.6590 -13.5730 -13.5730 -13.0894 -13.0894 -9.2928 -9.2928 -8.9662 -8.9662 2.9722 2.9722 3.8132 3.8132 3.9482 3.9482 4.2714 4.2714 4.5161 4.5161 5.0959 5.0959 6.6530 6.6530 6.8853 6.8853 7.2380 7.2380 7.5131 7.5131 7.7413 7.7413 11.4050 11.4050 12.3247 12.3247 12.8146 12.8146 13.3491 13.3491 k = 0.6560-0.3603-0.9135 ( 2273 PWs) bands (ev): -33.2111 -33.2111 -14.6590 -14.6590 -13.5730 -13.5730 -13.0894 -13.0894 -9.2928 -9.2928 -8.9662 -8.9662 2.9722 2.9722 3.8132 3.8132 3.9482 3.9482 4.2714 4.2714 4.5161 4.5161 5.0959 5.0959 6.6530 6.6530 6.8853 6.8853 7.2380 7.2380 7.5131 7.5131 7.7413 7.7413 11.4050 11.4050 12.3247 12.3247 12.8146 12.8146 13.3491 13.3491 k = 0.6505-0.3420-0.9135 ( 2269 PWs) bands (ev): -33.2112 -33.2112 -14.6596 -14.6596 -13.5706 -13.5706 -13.0879 -13.0879 -9.3180 -9.3180 -8.9426 -8.9426 2.9564 2.9564 3.7961 3.7961 3.9489 3.9489 4.3139 4.3139 4.5102 4.5102 5.1015 5.1015 6.6491 6.6491 6.8867 6.8867 7.2300 7.2300 7.5059 7.5059 7.7396 7.7396 11.4595 11.4595 12.2655 12.2655 12.8016 12.8016 13.3641 13.3641 k = 0.6449-0.3237-0.9135 ( 2269 PWs) bands (ev): -33.2114 -33.2114 -14.6606 -14.6606 -13.5672 -13.5672 -13.0857 -13.0857 -9.3448 -9.3448 -8.9182 -8.9182 2.9382 2.9382 3.7799 3.7799 3.9493 3.9493 4.3579 4.3579 4.5053 4.5053 5.1069 5.1069 6.6438 6.6438 6.8885 6.8885 7.2218 7.2218 7.4979 7.4979 7.7373 7.7373 11.5151 11.5151 12.2054 12.2054 12.7867 12.7867 13.3836 13.3836 k = 0.6393-0.3054-0.9135 ( 2270 PWs) bands (ev): -33.2117 -33.2117 -14.6620 -14.6620 -13.5631 -13.5631 -13.0827 -13.0827 -9.3730 -9.3730 -8.8933 -8.8933 2.9178 2.9178 3.7649 3.7649 3.9497 3.9497 4.4030 4.4030 4.5015 4.5015 5.1119 5.1119 6.6371 6.6371 6.8908 6.8908 7.2136 7.2136 7.4894 7.4894 7.7344 7.7344 11.5714 11.5714 12.1452 12.1452 12.7701 12.7701 13.4071 13.4071 k = 0.6337-0.2871-0.9135 ( 2268 PWs) bands (ev): -33.2120 -33.2120 -14.6638 -14.6638 -13.5582 -13.5582 -13.0788 -13.0788 -9.4023 -9.4023 -8.8681 -8.8681 2.8956 2.8956 3.7510 3.7510 3.9500 3.9500 4.4478 4.4478 4.4999 4.4999 5.1164 5.1164 6.6288 6.6288 6.8936 6.8936 7.2055 7.2055 7.4804 7.4804 7.7311 7.7311 11.6276 11.6276 12.0853 12.0853 12.7521 12.7521 13.4340 13.4340 k = 0.6282-0.2688-0.9135 ( 2272 PWs) bands (ev): -33.2123 -33.2123 -14.6661 -14.6661 -13.5527 -13.5527 -13.0739 -13.0739 -9.4326 -9.4326 -8.8428 -8.8428 2.8716 2.8716 3.7381 3.7381 3.9504 3.9504 4.4805 4.4805 4.5120 4.5120 5.1205 5.1205 6.6191 6.6191 6.8968 6.8968 7.1974 7.1974 7.4709 7.4709 7.7275 7.7275 11.6831 11.6831 12.0264 12.0264 12.7333 12.7333 13.4638 13.4638 k = 0.6226-0.2505-0.9135 ( 2272 PWs) bands (ev): -33.2127 -33.2127 -14.6688 -14.6688 -13.5467 -13.5467 -13.0681 -13.0681 -9.4636 -9.4636 -8.8175 -8.8175 2.8461 2.8461 3.7263 3.7263 3.9510 3.9510 4.4850 4.4850 4.5536 4.5536 5.1240 5.1240 6.6081 6.6081 6.9004 6.9004 7.1895 7.1895 7.4612 7.4612 7.7238 7.7238 11.7374 11.7374 11.9687 11.9687 12.7142 12.7142 13.4963 13.4963 k = 0.6170-0.2322-0.9135 ( 2272 PWs) bands (ev): -33.2131 -33.2131 -14.6719 -14.6719 -13.5403 -13.5403 -13.0613 -13.0613 -9.4952 -9.4952 -8.7923 -8.7923 2.8195 2.8195 3.7154 3.7154 3.9519 3.9519 4.4837 4.4837 4.6020 4.6020 5.1270 5.1270 6.5959 6.5959 6.9045 6.9045 7.1818 7.1818 7.4512 7.4512 7.7200 7.7200 11.7896 11.7896 11.9126 11.9126 12.6954 12.6954 13.5313 13.5313 k = 0.6115-0.2139-0.9135 ( 2274 PWs) bands (ev): -33.2135 -33.2135 -14.6753 -14.6753 -13.5337 -13.5337 -13.0535 -13.0535 -9.5272 -9.5272 -8.7675 -8.7675 2.7921 2.7921 3.7054 3.7054 3.9531 3.9531 4.4818 4.4818 4.6519 4.6519 5.1293 5.1293 6.5826 6.5826 6.9088 6.9088 7.1744 7.1744 7.4410 7.4410 7.7161 7.7161 11.8373 11.8373 11.8601 11.8601 12.6776 12.6776 13.5684 13.5684 k = 0.6059-0.1956-0.9135 ( 2274 PWs) bands (ev): -33.2140 -33.2140 -14.6791 -14.6791 -13.5270 -13.5270 -13.0446 -13.0446 -9.5594 -9.5594 -8.7431 -8.7431 2.7640 2.7640 3.6963 3.6963 3.9548 3.9548 4.4797 4.4797 4.7023 4.7023 5.1310 5.1310 6.5683 6.5683 6.9134 6.9134 7.1673 7.1673 7.4308 7.4308 7.7123 7.7123 11.8046 11.8046 11.8865 11.8865 12.6614 12.6614 13.6074 13.6074 k = 0.6003-0.1773-0.9135 ( 2274 PWs) bands (ev): -33.2145 -33.2145 -14.6831 -14.6831 -13.5203 -13.5203 -13.0348 -13.0348 -9.5917 -9.5917 -8.7192 -8.7192 2.7356 2.7356 3.6880 3.6880 3.9569 3.9569 4.4776 4.4776 4.7528 4.7528 5.1321 5.1321 6.5532 6.5532 6.9181 6.9181 7.1605 7.1605 7.4207 7.4207 7.7085 7.7085 11.7544 11.7544 11.9281 11.9281 12.6478 12.6478 13.6482 13.6482 k = 0.5947-0.1590-0.9135 ( 2276 PWs) bands (ev): -33.2149 -33.2149 -14.6873 -14.6873 -13.5137 -13.5137 -13.0240 -13.0240 -9.6239 -9.6239 -8.6960 -8.6960 2.7071 2.7071 3.6804 3.6804 3.9594 3.9594 4.4755 4.4755 4.8032 4.8032 5.1326 5.1326 6.5374 6.5374 6.9229 6.9229 7.1541 7.1541 7.4106 7.4106 7.7049 7.7049 11.7062 11.7062 11.9649 11.9649 12.6374 12.6374 13.6903 13.6903 k = 0.5892-0.1407-0.9135 ( 2278 PWs) bands (ev): -33.2154 -33.2154 -14.6916 -14.6916 -13.5074 -13.5074 -13.0123 -13.0123 -9.6558 -9.6558 -8.6735 -8.6735 2.6789 2.6789 3.6735 3.6735 3.9624 3.9624 4.4733 4.4733 4.8532 4.8532 5.1326 5.1326 6.5210 6.5210 6.9277 6.9277 7.1481 7.1481 7.4008 7.4008 7.7013 7.7013 11.6602 11.6602 11.9959 11.9959 12.6310 12.6310 13.7330 13.7330 k = 0.5836-0.1223-0.9135 ( 2276 PWs) bands (ev): -33.2159 -33.2159 -14.6961 -14.6961 -13.5014 -13.5014 -12.9998 -12.9998 -9.6872 -9.6872 -8.6518 -8.6518 2.6512 2.6512 3.6672 3.6672 3.9659 3.9659 4.4711 4.4711 4.9023 4.9023 5.1321 5.1321 6.5043 6.5043 6.9325 6.9325 7.1425 7.1425 7.3913 7.3913 7.6979 7.6979 11.6165 11.6165 12.0206 12.0206 12.6291 12.6291 13.7732 13.7732 k = 0.5780-0.1040-0.9135 ( 2276 PWs) bands (ev): -33.2164 -33.2164 -14.7005 -14.7005 -13.4959 -13.4959 -12.9868 -12.9868 -9.7179 -9.7179 -8.6311 -8.6311 2.6242 2.6242 3.6614 3.6614 3.9698 3.9698 4.4687 4.4687 4.9503 4.9503 5.1314 5.1314 6.4874 6.4874 6.9371 6.9371 7.1373 7.1373 7.3821 7.3821 7.6947 7.6947 11.5754 11.5754 12.0388 12.0388 12.6320 12.6320 13.7832 13.7832 k = 0.5724-0.0857-0.9135 ( 2274 PWs) bands (ev): -33.2168 -33.2168 -14.7050 -14.7050 -13.4907 -13.4907 -12.9733 -12.9733 -9.7477 -9.7477 -8.6115 -8.6115 2.5981 2.5981 3.6562 3.6562 3.9741 3.9741 4.4663 4.4663 4.9966 4.9966 5.1307 5.1307 6.4703 6.4703 6.9415 6.9415 7.1326 7.1326 7.3734 7.3734 7.6916 7.6916 11.5367 11.5367 12.0506 12.0506 12.6395 12.6395 13.7542 13.7542 k = 0.5669-0.0674-0.9135 ( 2270 PWs) bands (ev): -33.2173 -33.2173 -14.7093 -14.7093 -13.4860 -13.4860 -12.9595 -12.9595 -9.7764 -9.7764 -8.5929 -8.5929 2.5732 2.5732 3.6514 3.6514 3.9788 3.9788 4.4637 4.4637 5.0400 5.0400 5.1310 5.1310 6.4534 6.4534 6.9457 6.9457 7.1282 7.1282 7.3652 7.3652 7.6888 7.6888 11.5007 11.5007 12.0568 12.0568 12.6509 12.6509 13.7213 13.7213 k = 0.5613-0.0491-0.9135 ( 2272 PWs) bands (ev): -33.2177 -33.2177 -14.7135 -14.7135 -13.4817 -13.4817 -12.9457 -12.9457 -9.8038 -9.8038 -8.5755 -8.5755 2.5495 2.5495 3.6471 3.6471 3.9837 3.9837 4.4611 4.4611 5.0775 5.0775 5.1352 5.1352 6.4365 6.4365 6.9495 6.9495 7.1243 7.1243 7.3575 7.3575 7.6861 7.6861 11.4673 11.4673 12.0582 12.0582 12.6654 12.6654 13.6897 13.6897 k = 0.5557-0.0308-0.9135 ( 2276 PWs) bands (ev): -33.2181 -33.2181 -14.7176 -14.7176 -13.4780 -13.4780 -12.9321 -12.9321 -9.8298 -9.8298 -8.5594 -8.5594 2.5274 2.5274 3.6432 3.6432 3.9887 3.9887 4.4583 4.4583 5.0999 5.0999 5.1521 5.1521 6.4201 6.4201 6.9531 6.9531 7.1208 7.1208 7.3503 7.3503 7.6836 7.6836 11.4366 11.4366 12.0558 12.0558 12.6820 12.6820 13.6600 13.6600 k = 0.5502-0.0125-0.9135 ( 2270 PWs) bands (ev): -33.2185 -33.2185 -14.7214 -14.7214 -13.4746 -13.4746 -12.9188 -12.9188 -9.8540 -9.8540 -8.5446 -8.5446 2.5069 2.5069 3.6398 3.6398 3.9939 3.9939 4.4556 4.4556 5.1059 5.1059 5.1828 5.1828 6.4043 6.4043 6.9563 6.9563 7.1177 7.1177 7.3438 7.3438 7.6813 7.6813 11.4087 11.4087 12.0508 12.0508 12.6997 12.6997 13.6326 13.6326 k = 0.5446 0.0058-0.9135 ( 2270 PWs) bands (ev): -33.2188 -33.2188 -14.7249 -14.7249 -13.4717 -13.4717 -12.9062 -12.9062 -9.8763 -9.8763 -8.5312 -8.5312 2.4882 2.4882 3.6367 3.6367 3.9990 3.9990 4.4528 4.4528 5.1062 5.1062 5.2166 5.2166 6.3892 6.3892 6.9592 6.9592 7.1151 7.1151 7.3379 7.3379 7.6792 7.6792 11.3836 11.3836 12.0441 12.0441 12.7176 12.7176 13.6078 13.6078 k = 0.5390 0.0241-0.9135 ( 2270 PWs) bands (ev): -33.2191 -33.2191 -14.7281 -14.7281 -13.4692 -13.4692 -12.8944 -12.8944 -9.8965 -9.8965 -8.5193 -8.5193 2.4714 2.4714 3.6340 3.6340 4.0039 4.0039 4.4501 4.4501 5.1048 5.1048 5.2489 5.2489 6.3750 6.3750 6.9617 6.9617 7.1128 7.1128 7.3327 7.3327 7.6774 7.6774 11.3613 11.3613 12.0365 12.0365 12.7348 12.7348 13.5856 13.5856 k = 0.5334 0.0424-0.9135 ( 2270 PWs) bands (ev): -33.2194 -33.2194 -14.7309 -14.7309 -13.4672 -13.4672 -12.8837 -12.8837 -9.9144 -9.9144 -8.5088 -8.5088 2.4566 2.4566 3.6317 3.6317 4.0086 4.0086 4.4475 4.4475 5.1029 5.1029 5.2785 5.2785 6.3621 6.3621 6.9639 6.9639 7.1108 7.1108 7.3282 7.3282 7.6758 7.6758 11.3419 11.3419 12.0287 12.0287 12.7508 12.7508 13.5661 13.5661 k = 0.5279 0.0607-0.9135 ( 2272 PWs) bands (ev): -33.2196 -33.2196 -14.7334 -14.7334 -13.4654 -13.4654 -12.8743 -12.8743 -9.9299 -9.9299 -8.4999 -8.4999 2.4440 2.4440 3.6298 3.6298 4.0128 4.0128 4.4451 4.4451 5.1009 5.1009 5.3045 5.3045 6.3505 6.3505 6.9656 6.9656 7.1092 7.1092 7.3244 7.3244 7.6744 7.6744 11.3255 11.3255 12.0213 12.0213 12.7651 12.7651 13.5495 13.5495 k = 0.5223 0.0790-0.9135 ( 2274 PWs) bands (ev): -33.2198 -33.2198 -14.7354 -14.7354 -13.4641 -13.4641 -12.8663 -12.8663 -9.9428 -9.9428 -8.4925 -8.4925 2.4335 2.4335 3.6282 3.6282 4.0164 4.0164 4.4431 4.4431 5.0991 5.0991 5.3264 5.3264 6.3406 6.3406 6.9670 6.9670 7.1079 7.1079 7.3212 7.3212 7.6733 7.6733 11.3120 11.3120 12.0147 12.0147 12.7772 12.7772 13.5358 13.5358 k = 0.5167 0.0973-0.9135 ( 2278 PWs) bands (ev): -33.2200 -33.2200 -14.7370 -14.7370 -13.4630 -13.4630 -12.8599 -12.8599 -9.9530 -9.9530 -8.4868 -8.4868 2.4253 2.4253 3.6270 3.6270 4.0194 4.0194 4.4413 4.4413 5.0976 5.0976 5.3439 5.3439 6.3325 6.3325 6.9681 6.9681 7.1069 7.1069 7.3188 7.3188 7.6724 7.6724 11.3014 11.3014 12.0092 12.0092 12.7869 12.7869 13.5250 13.5250 k = 0.5111 0.1156-0.9135 ( 2278 PWs) bands (ev): -33.2201 -33.2201 -14.7382 -14.7382 -13.4623 -13.4623 -12.8553 -12.8553 -9.9603 -9.9603 -8.4827 -8.4827 2.4194 2.4194 3.6261 3.6261 4.0216 4.0216 4.4401 4.4401 5.0964 5.0964 5.3567 5.3567 6.3266 6.3266 6.9689 6.9689 7.1063 7.1063 7.3170 7.3170 7.6718 7.6718 11.2939 11.2939 12.0051 12.0051 12.7940 12.7940 13.5174 13.5174 k = 0.5056 0.1339-0.9135 ( 2282 PWs) bands (ev): -33.2202 -33.2202 -14.7389 -14.7389 -13.4618 -13.4618 -12.8525 -12.8525 -9.9648 -9.9648 -8.4802 -8.4802 2.4159 2.4159 3.6256 3.6256 4.0229 4.0229 4.4393 4.4393 5.0957 5.0957 5.3644 5.3644 6.3230 6.3230 6.9693 6.9693 7.1058 7.1058 7.3159 7.3159 7.6714 7.6714 11.2894 11.2894 12.0026 12.0026 12.7983 12.7983 13.5127 13.5127 k = 0.5000 0.1522-0.9135 ( 2284 PWs) bands (ev): -33.2202 -33.2202 -14.7391 -14.7391 -13.4617 -13.4617 -12.8515 -12.8515 -9.9662 -9.9662 -8.4793 -8.4793 2.4147 2.4147 3.6254 3.6254 4.0234 4.0234 4.4390 4.4390 5.0955 5.0955 5.3670 5.3670 6.3218 6.3218 6.9695 6.9695 7.1057 7.1057 7.3156 7.3156 7.6712 7.6712 11.2879 11.2879 12.0018 12.0018 12.7998 12.7998 13.5112 13.5112 k = 0.5000 0.1522-0.9135 ( 2284 PWs) bands (ev): -33.2202 -33.2202 -14.7391 -14.7391 -13.4617 -13.4617 -12.8515 -12.8515 -9.9662 -9.9662 -8.4793 -8.4793 2.4147 2.4147 3.6254 3.6254 4.0234 4.0234 4.4390 4.4390 5.0955 5.0955 5.3670 5.3670 6.3218 6.3218 6.9695 6.9695 7.1057 7.1057 7.3156 7.3156 7.6712 7.6712 11.2879 11.2879 12.0018 12.0018 12.7998 12.7998 13.5112 13.5112 k = 0.5156 0.1570-0.9042 ( 2286 PWs) bands (ev): -33.2202 -33.2202 -14.7391 -14.7391 -13.4617 -13.4617 -12.8515 -12.8515 -9.9657 -9.9657 -8.4799 -8.4799 2.4159 2.4159 3.6247 3.6247 4.0242 4.0242 4.4398 4.4398 5.0925 5.0925 5.3651 5.3651 6.3222 6.3222 6.9698 6.9698 7.1073 7.1073 7.3168 7.3168 7.6711 7.6711 11.2819 11.2819 12.0045 12.0045 12.8011 12.8011 13.5150 13.5150 k = 0.5312 0.1617-0.8949 ( 2288 PWs) bands (ev): -33.2202 -33.2202 -14.7390 -14.7390 -13.4617 -13.4617 -12.8516 -12.8516 -9.9641 -9.9641 -8.4817 -8.4817 2.4195 2.4195 3.6224 3.6224 4.0268 4.0268 4.4424 4.4424 5.0838 5.0838 5.3591 5.3591 6.3235 6.3235 6.9710 6.9710 7.1120 7.1120 7.3204 7.3204 7.6705 7.6705 11.2643 11.2643 12.0122 12.0122 12.8052 12.8052 13.5263 13.5263 k = 0.5468 0.1665-0.8855 ( 2286 PWs) bands (ev): -33.2203 -33.2203 -14.7388 -14.7388 -13.4618 -13.4618 -12.8517 -12.8517 -9.9614 -9.9614 -8.4847 -8.4847 2.4256 2.4256 3.6186 3.6186 4.0310 4.0310 4.4465 4.4465 5.0695 5.0695 5.3494 5.3494 6.3256 6.3256 6.9727 6.9727 7.1198 7.1198 7.3264 7.3264 7.6697 7.6697 11.2366 11.2366 12.0237 12.0237 12.8118 12.8118 13.5451 13.5451 k = 0.5624 0.1712-0.8762 ( 2284 PWs) bands (ev): -33.2203 -33.2203 -14.7385 -14.7385 -13.4618 -13.4618 -12.8519 -12.8519 -9.9577 -9.9577 -8.4888 -8.4888 2.4341 2.4341 3.6134 3.6134 4.0369 4.0369 4.4522 4.4522 5.0499 5.0499 5.3359 5.3359 6.3284 6.3284 6.9748 6.9748 7.1308 7.1308 7.3346 7.3346 7.6687 7.6687 11.2007 11.2007 12.0377 12.0377 12.8208 12.8208 13.5711 13.5711 k = 0.5780 0.1760-0.8669 ( 2277 PWs) bands (ev): -33.2204 -33.2204 -14.7381 -14.7381 -13.4619 -13.4619 -12.8521 -12.8521 -9.9530 -9.9530 -8.4941 -8.4941 2.4450 2.4450 3.6067 3.6067 4.0445 4.0445 4.4594 4.4594 5.0256 5.0256 5.3190 5.3190 6.3318 6.3318 6.9770 6.9770 7.1446 7.1446 7.3449 7.3449 7.6674 7.6674 11.1584 11.1584 12.0526 12.0526 12.8320 12.8320 13.6040 13.6040 k = 0.5936 0.1807-0.8575 ( 2281 PWs) bands (ev): -33.2205 -33.2205 -14.7377 -14.7377 -13.4620 -13.4620 -12.8523 -12.8523 -9.9473 -9.9473 -8.5004 -8.5004 2.4582 2.4582 3.5987 3.5987 4.0538 4.0538 4.4678 4.4678 4.9969 4.9969 5.2988 5.2988 6.3356 6.3356 6.9790 6.9790 7.1610 7.1610 7.3570 7.3570 7.6659 7.6659 11.1117 11.1117 12.0673 12.0673 12.8449 12.8449 13.6433 13.6433 k = 0.6092 0.1855-0.8482 ( 2284 PWs) bands (ev): -33.2206 -33.2206 -14.7372 -14.7372 -13.4621 -13.4621 -12.8526 -12.8526 -9.9406 -9.9406 -8.5078 -8.5078 2.4737 2.4737 3.5894 3.5894 4.0646 4.0646 4.4774 4.4774 4.9646 4.9646 5.2756 5.2756 6.3398 6.3398 6.9809 6.9809 7.1795 7.1795 7.3706 7.3706 7.6642 7.6642 11.0621 11.0621 12.0811 12.0811 12.8594 12.8594 13.6885 13.6885 k = 0.6248 0.1902-0.8389 ( 2280 PWs) bands (ev): -33.2207 -33.2207 -14.7366 -14.7366 -13.4622 -13.4622 -12.8529 -12.8529 -9.9330 -9.9330 -8.5163 -8.5163 2.4915 2.4915 3.5788 3.5788 4.0771 4.0771 4.4879 4.4879 4.9293 4.9293 5.2497 5.2497 6.3441 6.3441 6.9825 6.9825 7.1997 7.1997 7.3857 7.3857 7.6624 7.6624 11.0111 11.0111 12.0933 12.0933 12.8752 12.8752 13.7389 13.7389 k = 0.6404 0.1950-0.8295 ( 2280 PWs) bands (ev): -33.2208 -33.2208 -14.7359 -14.7359 -13.4622 -13.4622 -12.8532 -12.8532 -9.9246 -9.9246 -8.5256 -8.5256 2.5114 2.5114 3.5670 3.5670 4.0912 4.0912 4.4990 4.4990 4.8916 4.8916 5.2214 5.2214 6.3485 6.3485 6.9839 6.9839 7.2209 7.2209 7.4018 7.4018 7.6606 7.6606 10.9597 10.9597 12.1039 12.1039 12.8921 12.8921 13.7937 13.7937 k = 0.6560 0.1997-0.8202 ( 2282 PWs) bands (ev): -33.2209 -33.2209 -14.7351 -14.7351 -13.4623 -13.4623 -12.8536 -12.8536 -9.9153 -9.9153 -8.5359 -8.5359 2.5334 2.5334 3.5540 3.5540 4.1068 4.1068 4.5105 4.5105 4.8523 4.8523 5.1909 5.1909 6.3530 6.3530 6.9850 6.9850 7.2426 7.2426 7.4186 7.4186 7.6588 7.6588 10.9091 10.9091 12.1125 12.1125 12.9097 12.9097 13.8520 13.8520 k = 0.6560 0.1997-0.8202 ( 2282 PWs) bands (ev): -33.2209 -33.2209 -14.7351 -14.7351 -13.4623 -13.4623 -12.8536 -12.8536 -9.9153 -9.9153 -8.5359 -8.5359 2.5334 2.5334 3.5540 3.5540 4.1068 4.1068 4.5105 4.5105 4.8523 4.8523 5.1909 5.1909 6.3530 6.3530 6.9850 6.9850 7.2426 7.2426 7.4186 7.4186 7.6588 7.6588 10.9091 10.9091 12.1125 12.1125 12.9097 12.9097 13.8520 13.8520 k = 0.6529 0.1988-0.8016 ( 2280 PWs) bands (ev): -33.2214 -33.2214 -14.7309 -14.7309 -13.4615 -13.4615 -12.8549 -12.8549 -9.9091 -9.9091 -8.5431 -8.5431 2.5409 2.5409 3.5481 3.5481 4.1130 4.1130 4.5170 4.5170 4.8397 4.8397 5.1755 5.1755 6.3557 6.3557 6.9834 6.9834 7.2458 7.2458 7.4264 7.4264 7.6497 7.6497 10.8870 10.8870 12.1195 12.1195 12.8816 12.8816 13.9301 13.9301 k = 0.6497 0.1978-0.7829 ( 2273 PWs) bands (ev): -33.2221 -33.2221 -14.7258 -14.7258 -13.4604 -13.4604 -12.8565 -12.8565 -9.9012 -9.9012 -8.5522 -8.5522 2.5488 2.5488 3.5431 3.5431 4.1192 4.1192 4.5200 4.5200 4.8288 4.8288 5.1596 5.1596 6.3587 6.3587 6.9814 6.9814 7.2487 7.2487 7.4341 7.4341 7.6376 7.6376 10.8654 10.8654 12.1254 12.1254 12.8594 12.8594 14.0118 14.0118 k = 0.6465 0.1968-0.7643 ( 2273 PWs) bands (ev): -33.2228 -33.2228 -14.7196 -14.7196 -13.4590 -13.4590 -12.8583 -12.8583 -9.8918 -9.8918 -8.5632 -8.5632 2.5570 2.5570 3.5392 3.5392 4.1252 4.1252 4.5193 4.5193 4.8196 4.8196 5.1433 5.1433 6.3618 6.3618 6.9788 6.9788 7.2512 7.2512 7.4418 7.4418 7.6222 7.6222 10.8450 10.8450 12.1299 12.1299 12.8425 12.8425 14.0949 14.0949 k = 0.6433 0.1959-0.7456 ( 2265 PWs) bands (ev): -33.2237 -33.2237 -14.7125 -14.7125 -13.4574 -13.4574 -12.8603 -12.8603 -9.8809 -9.8809 -8.5761 -8.5761 2.5654 2.5654 3.5365 3.5365 4.1311 4.1311 4.5148 4.5148 4.8122 4.8122 5.1267 5.1267 6.3650 6.3650 6.9757 6.9757 7.2536 7.2536 7.4494 7.4494 7.6039 7.6039 10.8260 10.8260 12.1332 12.1332 12.8303 12.8303 14.1416 14.1416 k = 0.6401 0.1949-0.7270 ( 2263 PWs) bands (ev): -33.2247 -33.2247 -14.7044 -14.7044 -13.4555 -13.4555 -12.8625 -12.8625 -9.8685 -9.8685 -8.5908 -8.5908 2.5740 2.5740 3.5350 3.5350 4.1367 4.1367 4.5067 4.5067 4.8066 4.8066 5.1098 5.1098 6.3684 6.3684 6.9721 6.9721 7.2554 7.2554 7.4567 7.4567 7.5828 7.5828 10.8091 10.8091 12.1354 12.1354 12.8221 12.8221 14.1213 14.1213 k = 0.6369 0.1939-0.7083 ( 2267 PWs) bands (ev): -33.2259 -33.2259 -14.6955 -14.6955 -13.4533 -13.4533 -12.8648 -12.8648 -9.8546 -9.8546 -8.6073 -8.6073 2.5827 2.5827 3.5346 3.5346 4.1421 4.1421 4.4954 4.4954 4.8024 4.8024 5.0927 5.0927 6.3718 6.3718 6.9679 6.9679 7.2566 7.2566 7.4635 7.4635 7.5594 7.5594 10.7945 10.7945 12.1368 12.1368 12.8173 12.8173 14.0924 14.0924 k = 0.6337 0.1929-0.6897 ( 2267 PWs) bands (ev): -33.2271 -33.2271 -14.6858 -14.6858 -13.4508 -13.4508 -12.8671 -12.8671 -9.8395 -9.8395 -8.6256 -8.6256 2.5914 2.5914 3.5355 3.5355 4.1472 4.1472 4.4814 4.4814 4.7993 4.7993 5.0755 5.0755 6.3753 6.3753 6.9633 6.9633 7.2571 7.2571 7.4690 7.4690 7.5349 7.5349 10.7826 10.7826 12.1375 12.1375 12.8152 12.8152 14.0603 14.0603 k = 0.6306 0.1920-0.6711 ( 2269 PWs) bands (ev): -33.2285 -33.2285 -14.6754 -14.6754 -13.4479 -13.4479 -12.8695 -12.8695 -9.8230 -9.8230 -8.6456 -8.6456 2.6000 2.6000 3.5377 3.5377 4.1518 4.1518 4.4652 4.4652 4.7969 4.7969 5.0584 5.0584 6.3787 6.3787 6.9581 6.9581 7.2563 7.2563 7.4703 7.4703 7.5130 7.5130 10.7737 10.7737 12.1380 12.1380 12.8151 12.8151 14.0259 14.0259 k = 0.6274 0.1910-0.6524 ( 2263 PWs) bands (ev): -33.2299 -33.2299 -14.6642 -14.6642 -13.4447 -13.4447 -12.8718 -12.8718 -9.8054 -9.8054 -8.6673 -8.6673 2.6085 2.6085 3.5411 3.5411 4.1560 4.1560 4.4474 4.4474 4.7948 4.7948 5.0414 5.0414 6.3821 6.3821 6.9524 6.9524 7.2534 7.2534 7.4587 7.4587 7.5033 7.5033 10.7681 10.7681 12.1383 12.1383 12.8166 12.8166 13.9894 13.9894 k = 0.6242 0.1900-0.6338 ( 2264 PWs) bands (ev): -33.2315 -33.2315 -14.6525 -14.6525 -13.4411 -13.4411 -12.8741 -12.8741 -9.7868 -9.7868 -8.6905 -8.6905 2.6167 2.6167 3.5456 3.5456 4.1596 4.1596 4.4285 4.4285 4.7926 4.7926 5.0246 5.0246 6.3854 6.3854 6.9461 6.9461 7.2471 7.2471 7.4363 7.4363 7.5054 7.5054 10.7658 10.7658 12.1388 12.1388 12.8190 12.8190 13.9510 13.9510 k = 0.6210 0.1891-0.6151 ( 2266 PWs) bands (ev): -33.2331 -33.2331 -14.6402 -14.6402 -13.4370 -13.4370 -12.8762 -12.8762 -9.7671 -9.7671 -8.7154 -8.7154 2.6247 2.6247 3.5512 3.5512 4.1625 4.1625 4.4091 4.4091 4.7901 4.7901 5.0083 5.0083 6.3883 6.3883 6.9391 6.9391 7.2355 7.2355 7.4135 7.4135 7.5112 7.5112 10.7669 10.7669 12.1395 12.1395 12.8220 12.8220 13.9111 13.9111 k = 0.6178 0.1881-0.5965 ( 2260 PWs) bands (ev): -33.2348 -33.2348 -14.6275 -14.6275 -13.4325 -13.4325 -12.8781 -12.8781 -9.7466 -9.7466 -8.7416 -8.7416 2.6324 2.6324 3.5575 3.5575 4.1646 4.1646 4.3898 4.3898 4.7870 4.7870 4.9925 4.9925 6.3909 6.3909 6.9313 6.9313 7.2168 7.2168 7.3951 7.3951 7.5181 7.5181 10.7715 10.7715 12.1406 12.1406 12.8252 12.8252 13.8697 13.8697 k = 0.6146 0.1871-0.5778 ( 2260 PWs) bands (ev): -33.2366 -33.2366 -14.6145 -14.6145 -13.4274 -13.4274 -12.8797 -12.8797 -9.7253 -9.7253 -8.7693 -8.7693 2.6398 2.6398 3.5644 3.5644 4.1658 4.1658 4.3712 4.3712 4.7831 4.7831 4.9774 4.9774 6.3930 6.3930 6.9226 6.9226 7.1903 7.1903 7.3829 7.3829 7.5255 7.5255 10.7796 10.7796 12.1423 12.1423 12.8282 12.8282 13.8270 13.8270 k = 0.6115 0.1862-0.5592 ( 2258 PWs) bands (ev): -33.2385 -33.2385 -14.6012 -14.6012 -13.4218 -13.4218 -12.8811 -12.8811 -9.7034 -9.7034 -8.7983 -8.7983 2.6469 2.6469 3.5715 3.5715 4.1661 4.1661 4.3537 4.3537 4.7782 4.7782 4.9631 4.9631 6.3944 6.3944 6.9126 6.9126 7.1573 7.1573 7.3768 7.3768 7.5330 7.5330 10.7910 10.7910 12.1447 12.1447 12.8308 12.8308 13.7832 13.7832 k = 0.6083 0.1852-0.5405 ( 2258 PWs) bands (ev): -33.2405 -33.2405 -14.5877 -14.5877 -13.4156 -13.4156 -12.8820 -12.8820 -9.6811 -9.6811 -8.8284 -8.8284 2.6538 2.6538 3.5783 3.5783 4.1652 4.1652 4.3380 4.3380 4.7724 4.7724 4.9498 4.9498 6.3949 6.3949 6.9009 6.9009 7.1202 7.1202 7.3754 7.3754 7.5407 7.5407 10.8057 10.8057 12.1477 12.1477 12.8328 12.8328 13.7384 13.7384 k = 0.6051 0.1842-0.5219 ( 2260 PWs) bands (ev): -33.2425 -33.2425 -14.5741 -14.5741 -13.4088 -13.4088 -12.8826 -12.8826 -9.6584 -9.6584 -8.8596 -8.8596 2.6605 2.6605 3.5844 3.5844 4.1632 4.1632 4.3246 4.3246 4.7653 4.7653 4.9376 4.9376 6.3942 6.3942 6.8867 6.8867 7.0818 7.0818 7.3772 7.3772 7.5485 7.5485 10.8235 10.8235 12.1514 12.1514 12.8338 12.8338 13.6929 13.6929 k = 0.6019 0.1832-0.5033 ( 2252 PWs) bands (ev): -33.2445 -33.2445 -14.5606 -14.5606 -13.4013 -13.4013 -12.8827 -12.8827 -9.6355 -9.6355 -8.8916 -8.8916 2.6672 2.6672 3.5893 3.5893 4.1598 4.1598 4.3141 4.3141 4.7571 4.7571 4.9267 4.9267 6.3919 6.3919 6.8693 6.8693 7.0448 7.0448 7.3814 7.3814 7.5563 7.5563 10.8442 10.8442 12.1560 12.1560 12.8337 12.8337 13.6467 13.6467 k = 0.5987 0.1823-0.4846 ( 2256 PWs) bands (ev): -33.2466 -33.2466 -14.5472 -14.5472 -13.3931 -13.3931 -12.8823 -12.8823 -9.6127 -9.6127 -8.9244 -8.9244 2.6738 2.6738 3.5924 3.5924 4.1551 4.1551 4.3070 4.3070 4.7475 4.7475 4.9171 4.9171 6.3875 6.3875 6.8476 6.8476 7.0113 7.0113 7.3872 7.3872 7.5642 7.5642 10.8677 10.8677 12.1613 12.1613 12.8322 12.8322 13.5999 13.5999 k = 0.5955 0.1813-0.4660 ( 2257 PWs) bands (ev): -33.2488 -33.2488 -14.5340 -14.5340 -13.3843 -13.3843 -12.8814 -12.8814 -9.5901 -9.5901 -8.9577 -8.9577 2.6805 2.6805 3.5932 3.5932 4.1491 4.1491 4.3037 4.3037 4.7367 4.7367 4.9089 4.9089 6.3805 6.3805 6.8212 6.8212 6.9832 6.9832 7.3944 7.3944 7.5721 7.5721 10.8936 10.8936 12.1674 12.1674 12.8291 12.8291 13.5528 13.5528 k = 0.5924 0.1803-0.4473 ( 2259 PWs) bands (ev): -33.2509 -33.2509 -14.5212 -14.5212 -13.3747 -13.3747 -12.8798 -12.8798 -9.5682 -9.5682 -8.9911 -8.9911 2.6875 2.6875 3.5915 3.5915 4.1417 4.1417 4.3045 4.3045 4.7245 4.7245 4.9022 4.9022 6.3700 6.3700 6.7914 6.7914 6.9608 6.9608 7.4025 7.4025 7.5801 7.5801 10.9219 10.9219 12.1743 12.1743 12.8243 12.8243 13.5054 13.5054 k = 0.5892 0.1794-0.4287 ( 2261 PWs) bands (ev): -33.2531 -33.2531 -14.5087 -14.5087 -13.3644 -13.3644 -12.8777 -12.8777 -9.5472 -9.5472 -9.0244 -9.0244 2.6948 2.6948 3.5869 3.5869 4.1329 4.1329 4.3096 4.3096 4.7109 4.7109 4.8971 4.8971 6.3553 6.3553 6.7601 6.7601 6.9431 6.9431 7.4115 7.4115 7.5881 7.5881 10.9522 10.9522 12.1820 12.1820 12.8175 12.8175 13.4578 13.4578 k = 0.5860 0.1784-0.4100 ( 2263 PWs) bands (ev): -33.2553 -33.2553 -14.4967 -14.4967 -13.3535 -13.3535 -12.8748 -12.8748 -9.5277 -9.5277 -9.0569 -9.0569 2.7026 2.7026 3.5795 3.5795 4.1227 4.1227 4.3186 4.3186 4.6962 4.6962 4.8933 4.8933 6.3357 6.3357 6.7301 6.7301 6.9289 6.9289 7.4212 7.4212 7.5960 7.5960 10.9844 10.9844 12.1904 12.1904 12.8085 12.8085 13.4103 13.4103 k = 0.5828 0.1774-0.3914 ( 2263 PWs) bands (ev): -33.2575 -33.2575 -14.4853 -14.4853 -13.3419 -13.3419 -12.8712 -12.8712 -9.5103 -9.5103 -9.0880 -9.0880 2.7110 2.7110 3.5692 3.5692 4.1114 4.1114 4.3314 4.3314 4.6803 4.6803 4.8911 4.8911 6.3107 6.3107 6.7031 6.7031 6.9171 6.9171 7.4315 7.4315 7.6041 7.6041 11.0181 11.0181 12.1993 12.1993 12.7973 12.7973 13.3630 13.3630 k = 0.5796 0.1765-0.3728 ( 2267 PWs) bands (ev): -33.2597 -33.2597 -14.4744 -14.4744 -13.3296 -13.3296 -12.8668 -12.8668 -9.4960 -9.4960 -9.1168 -9.1168 2.7201 2.7201 3.5564 3.5564 4.0989 4.0989 4.3472 4.3472 4.6635 4.6635 4.8902 4.8902 6.2802 6.2802 6.6803 6.6803 6.9069 6.9069 7.4423 7.4423 7.6122 7.6122 11.0533 11.0533 12.2088 12.2088 12.7836 12.7836 13.3159 13.3159 k = 0.5764 0.1755-0.3541 ( 2265 PWs) bands (ev): -33.2619 -33.2619 -14.4642 -14.4642 -13.3169 -13.3169 -12.8616 -12.8616 -9.4860 -9.4860 -9.1421 -9.1421 2.7300 2.7300 3.5413 3.5413 4.0854 4.0854 4.3651 4.3651 4.6463 4.6463 4.8907 4.8907 6.2450 6.2450 6.6620 6.6620 6.8980 6.8980 7.4537 7.4537 7.6203 7.6203 11.0896 11.0896 12.2187 12.2187 12.7675 12.7675 13.2692 13.2692 k = 0.5732 0.1745-0.3355 ( 2263 PWs) bands (ev): -33.2641 -33.2641 -14.4546 -14.4546 -13.3036 -13.3036 -12.8556 -12.8556 -9.4817 -9.4817 -9.1622 -9.1622 2.7409 2.7409 3.5244 3.5244 4.0710 4.0710 4.3837 4.3837 4.6296 4.6296 4.8923 4.8923 6.2059 6.2059 6.6478 6.6478 6.8900 6.8900 7.4654 7.4654 7.6284 7.6284 11.1269 11.1269 12.2288 12.2288 12.7490 12.7490 13.2230 13.2230 k = 0.5701 0.1736-0.3168 ( 2265 PWs) bands (ev): -33.2662 -33.2662 -14.4458 -14.4458 -13.2901 -13.2901 -12.8487 -12.8487 -9.4844 -9.4844 -9.1761 -9.1761 2.7527 2.7527 3.5060 3.5060 4.0558 4.0558 4.4007 4.4007 4.6149 4.6149 4.8950 4.8950 6.1641 6.1641 6.6371 6.6371 6.8828 6.8828 7.4774 7.4774 7.6366 7.6366 11.1650 11.1650 12.2387 12.2387 12.7283 12.7283 13.1775 13.1775 k = 0.5669 0.1726-0.2982 ( 2261 PWs) bands (ev): -33.2684 -33.2684 -14.4377 -14.4377 -13.2763 -13.2763 -12.8408 -12.8408 -9.4947 -9.4947 -9.1828 -9.1828 2.7656 2.7656 3.4865 3.4865 4.0401 4.0401 4.4130 4.4130 4.6051 4.6051 4.8986 4.8986 6.1208 6.1208 6.6292 6.6292 6.8763 6.8763 7.4897 7.4897 7.6448 7.6448 11.2036 11.2036 12.2482 12.2482 12.7058 12.7058 13.1327 13.1327 k = 0.5637 0.1716-0.2795 ( 2259 PWs) bands (ev): -33.2704 -33.2704 -14.4303 -14.4303 -13.2625 -13.2625 -12.8320 -12.8320 -9.5122 -9.5122 -9.1829 -9.1829 2.7797 2.7797 3.4662 3.4662 4.0240 4.0240 4.4166 4.4166 4.6034 4.6034 4.9030 4.9030 6.0769 6.0769 6.6234 6.6234 6.8704 6.8704 7.5021 7.5021 7.6529 7.6529 11.2427 11.2427 12.2568 12.2568 12.6819 12.6819 13.0889 13.0889 k = 0.5605 0.1706-0.2609 ( 2261 PWs) bands (ev): -33.2724 -33.2724 -14.4236 -14.4236 -13.2487 -13.2487 -12.8222 -12.8222 -9.5356 -9.5356 -9.1774 -9.1774 2.7951 2.7951 3.4455 3.4455 4.0077 4.0077 4.4091 4.4091 4.6119 4.6119 4.9082 4.9082 6.0333 6.0333 6.6191 6.6191 6.8649 6.8649 7.5146 7.5146 7.6611 7.6611 11.2819 11.2819 12.2638 12.2638 12.6574 12.6574 13.0462 13.0462 k = 0.5573 0.1697-0.2423 ( 2262 PWs) bands (ev): -33.2744 -33.2744 -14.4176 -14.4176 -13.2351 -13.2351 -12.8115 -12.8115 -9.5634 -9.5634 -9.1680 -9.1680 2.8116 2.8116 3.4247 3.4247 3.9912 3.9912 4.3913 4.3913 4.6294 4.6294 4.9139 4.9139 5.9907 5.9907 6.6160 6.6160 6.8600 6.8600 7.5272 7.5272 7.6692 7.6692 11.3211 11.3211 12.2685 12.2685 12.6333 12.6333 13.0047 13.0047 k = 0.5541 0.1687-0.2236 ( 2262 PWs) bands (ev): -33.2763 -33.2763 -14.4122 -14.4122 -13.2218 -13.2218 -12.7999 -12.7999 -9.5942 -9.5942 -9.1559 -9.1559 2.8295 2.8295 3.4039 3.4039 3.9748 3.9748 4.3659 4.3659 4.6529 4.6529 4.9201 4.9201 5.9495 5.9495 6.6137 6.6137 6.8555 6.8555 7.5398 7.5398 7.6773 7.6773 11.3602 11.3602 12.2699 12.2699 12.6107 12.6107 12.9644 12.9644 k = 0.5510 0.1677-0.2050 ( 2264 PWs) bands (ev): -33.2782 -33.2782 -14.4075 -14.4075 -13.2090 -13.2090 -12.7875 -12.7875 -9.6266 -9.6266 -9.1422 -9.1422 2.8487 2.8487 3.3835 3.3835 3.9586 3.9586 4.3351 4.3351 4.6798 4.6798 4.9266 4.9266 5.9101 5.9101 6.6120 6.6120 6.8515 6.8515 7.5522 7.5522 7.6853 7.6853 11.3989 11.3989 12.2670 12.2670 12.5908 12.5908 12.9257 12.9257 k = 0.5478 0.1668-0.1863 ( 2262 PWs) bands (ev): -33.2799 -33.2799 -14.4033 -14.4033 -13.1967 -13.1967 -12.7742 -12.7742 -9.6600 -9.6600 -9.1276 -9.1276 2.8692 2.8692 3.3636 3.3636 3.9428 3.9428 4.3006 4.3006 4.7084 4.7084 4.9334 4.9334 5.8730 5.8730 6.6108 6.6108 6.8479 6.8479 7.5645 7.5645 7.6933 7.6933 11.4370 11.4370 12.2589 12.2589 12.5750 12.5750 12.8885 12.8885 k = 0.5446 0.1658-0.1677 ( 2259 PWs) bands (ev): -33.2816 -33.2816 -14.3997 -14.3997 -13.1852 -13.1852 -12.7603 -12.7603 -9.6936 -9.6936 -9.1126 -9.1126 2.8909 2.8909 3.3443 3.3443 3.9273 3.9273 4.2633 4.2633 4.7375 4.7375 4.9403 4.9403 5.8382 5.8382 6.6097 6.6097 6.8447 6.8447 7.5764 7.5764 7.7011 7.7011 11.4744 11.4744 12.2453 12.2453 12.5639 12.5639 12.8530 12.8530 k = 0.5414 0.1648-0.1490 ( 2259 PWs) bands (ev): -33.2832 -33.2832 -14.3966 -14.3966 -13.1744 -13.1744 -12.7460 -12.7460 -9.7268 -9.7268 -9.0978 -9.0978 2.9139 2.9139 3.3259 3.3259 3.9125 3.9125 4.2240 4.2240 4.7663 4.7663 4.9474 4.9474 5.8059 5.8059 6.6089 6.6089 6.8419 6.8419 7.5879 7.5879 7.7089 7.7089 11.5108 11.5108 12.2264 12.2264 12.5575 12.5575 12.8194 12.8194 k = 0.5382 0.1639-0.1304 ( 2259 PWs) bands (ev): -33.2847 -33.2847 -14.3939 -14.3939 -13.1644 -13.1644 -12.7313 -12.7313 -9.7593 -9.7593 -9.0834 -9.0834 2.9379 2.9379 3.3084 3.3084 3.8983 3.8983 4.1833 4.1833 4.7942 4.7942 4.9545 4.9545 5.7761 5.7761 6.6082 6.6082 6.8395 6.8395 7.5990 7.5990 7.7165 7.7165 11.5460 11.5460 12.2032 12.2032 12.5552 12.5552 12.7877 12.7877 k = 0.5350 0.1629-0.1118 ( 2257 PWs) bands (ev): -33.2861 -33.2861 -14.3917 -14.3917 -13.1552 -13.1552 -12.7165 -12.7165 -9.7906 -9.7906 -9.0696 -9.0696 2.9630 2.9630 3.2920 3.2920 3.8849 3.8849 4.1416 4.1416 4.8208 4.8208 4.9617 4.9617 5.7490 5.7490 6.6076 6.6076 6.8375 6.8375 7.6094 7.6094 7.7239 7.7239 11.5798 11.5798 12.1771 12.1771 12.5561 12.5561 12.7581 12.7581 k = 0.5318 0.1619-0.0931 ( 2259 PWs) bands (ev): -33.2873 -33.2873 -14.3898 -14.3898 -13.1469 -13.1469 -12.7018 -12.7018 -9.8205 -9.8205 -9.0566 -9.0566 2.9888 2.9888 3.2767 3.2767 3.8724 3.8724 4.0995 4.0995 4.8456 4.8456 4.9689 4.9689 5.7245 5.7245 6.6071 6.6071 6.8357 6.8357 7.6192 7.6192 7.7311 7.7311 11.6120 11.6120 12.1493 12.1493 12.5592 12.5592 12.7307 12.7307 k = 0.5287 0.1609-0.0745 ( 2259 PWs) bands (ev): -33.2885 -33.2885 -14.3882 -14.3882 -13.1394 -13.1394 -12.6875 -12.6875 -9.8485 -9.8485 -9.0444 -9.0444 3.0152 3.0152 3.2626 3.2626 3.8609 3.8609 4.0575 4.0575 4.8682 4.8682 4.9760 4.9760 5.7026 5.7026 6.6065 6.6065 6.8342 6.8342 7.6282 7.6282 7.7380 7.7380 11.6422 11.6422 12.1212 12.1212 12.5636 12.5636 12.7055 12.7055 k = 0.5255 0.1600-0.0558 ( 2255 PWs) bands (ev): -33.2896 -33.2896 -14.3870 -14.3870 -13.1328 -13.1328 -12.6738 -12.6738 -9.8744 -9.8744 -9.0334 -9.0334 3.0419 3.0419 3.2498 3.2498 3.8503 3.8503 4.0162 4.0162 4.8885 4.8885 4.9833 4.9833 5.6833 5.6833 6.6061 6.6061 6.8330 6.8330 7.6364 7.6364 7.7445 7.7445 11.6703 11.6703 12.0936 12.0936 12.5687 12.5687 12.6827 12.6827 k = 0.5223 0.1590-0.0372 ( 2259 PWs) bands (ev): -33.2905 -33.2905 -14.3859 -14.3859 -13.1271 -13.1271 -12.6610 -12.6610 -9.8979 -9.8979 -9.0234 -9.0234 3.0684 3.0684 3.2385 3.2385 3.8408 3.8408 3.9761 3.9761 4.9060 4.9060 4.9904 4.9904 5.6664 5.6664 6.6056 6.6056 6.8319 6.8319 7.6437 7.6437 7.7505 7.7505 11.6959 11.6959 12.0676 12.0676 12.5739 12.5739 12.6624 12.6624 k = 0.5191 0.1580-0.0185 ( 2263 PWs) bands (ev): -33.2914 -33.2914 -14.3851 -14.3851 -13.1222 -13.1222 -12.6493 -12.6493 -9.9189 -9.9189 -9.0146 -9.0146 3.0943 3.0943 3.2285 3.2285 3.8325 3.8325 3.9382 3.9382 4.9207 4.9207 4.9976 4.9976 5.6519 5.6519 6.6051 6.6051 6.8311 6.8311 7.6501 7.6501 7.7560 7.7560 11.7188 11.7188 12.0437 12.0437 12.5789 12.5789 12.6446 12.6446 k = 0.5159 0.1571 0.0001 ( 2269 PWs) bands (ev): -33.2921 -33.2921 -14.3845 -14.3845 -13.1180 -13.1180 -12.6390 -12.6390 -9.9370 -9.9370 -9.0071 -9.0071 3.1188 3.1188 3.2200 3.2200 3.8253 3.8253 3.9032 3.9032 4.9326 4.9326 5.0044 5.0044 5.6398 5.6398 6.6047 6.6047 6.8303 6.8303 7.6555 7.6555 7.7609 7.7609 11.7387 11.7387 12.0226 12.0226 12.5834 12.5834 12.6295 12.6295 k = 0.5127 0.1561 0.0187 ( 2274 PWs) bands (ev): -33.2927 -33.2927 -14.3840 -14.3840 -13.1147 -13.1147 -12.6302 -12.6302 -9.9521 -9.9521 -9.0009 -9.0009 3.1410 3.1410 3.2130 3.2130 3.8192 3.8192 3.8723 3.8723 4.9419 4.9419 5.0108 5.0108 5.6300 5.6300 6.6043 6.6043 6.8298 6.8298 7.6600 7.6600 7.7650 7.7650 11.7554 11.7554 12.0048 12.0048 12.5872 12.5872 12.6170 12.6170 k = 0.5096 0.1551 0.0374 ( 2274 PWs) bands (ev): -33.2931 -33.2931 -14.3836 -14.3836 -13.1121 -13.1121 -12.6232 -12.6232 -9.9641 -9.9641 -8.9960 -8.9960 3.1601 3.1601 3.2075 3.2075 3.8143 3.8143 3.8465 3.8465 4.9486 4.9486 5.0162 5.0162 5.6225 5.6225 6.6040 6.6040 6.8294 6.8294 7.6635 7.6635 7.7683 7.7683 11.7686 11.7686 11.9905 11.9905 12.5902 12.5902 12.6074 12.6074 k = 0.5064 0.1542 0.0560 ( 2276 PWs) bands (ev): -33.2935 -33.2935 -14.3833 -14.3833 -13.1103 -13.1103 -12.6181 -12.6181 -9.9727 -9.9727 -8.9925 -8.9925 3.1748 3.1748 3.2035 3.2035 3.8101 3.8101 3.8276 3.8276 4.9533 4.9533 5.0204 5.0204 5.6171 5.6171 6.6038 6.6038 6.8291 6.8291 7.6660 7.6660 7.7707 7.7707 11.7782 11.7782 11.9801 11.9801 12.5921 12.5921 12.6007 12.6007 k = 0.5032 0.1532 0.0747 ( 2288 PWs) bands (ev): -33.2936 -33.2936 -14.3832 -14.3832 -13.1092 -13.1092 -12.6150 -12.6150 -9.9779 -9.9779 -8.9905 -8.9905 3.1842 3.1842 3.2012 3.2012 3.8061 3.8061 3.8171 3.8171 4.9559 4.9559 5.0230 5.0230 5.6139 5.6139 6.6036 6.6036 6.8289 6.8289 7.6675 7.6675 7.7722 7.7722 11.7840 11.7840 11.9738 11.9738 12.5925 12.5925 12.5973 12.5973 k = 0.5000 0.1522 0.0933 ( 2286 PWs) bands (ev): -33.2937 -33.2937 -14.3832 -14.3832 -13.1088 -13.1088 -12.6139 -12.6139 -9.9796 -9.9796 -8.9898 -8.9898 3.1874 3.1874 3.2004 3.2004 3.8039 3.8039 3.8144 3.8144 4.9568 4.9568 5.0239 5.0239 5.6128 5.6128 6.6036 6.6036 6.8289 6.8289 7.6680 7.6680 7.7727 7.7727 11.7860 11.7860 11.9717 11.9717 12.5922 12.5922 12.5967 12.5967 k = 0.5000-0.7451-0.4568 ( 2252 PWs) bands (ev): -33.2202 -33.2202 -14.7475 -14.7475 -13.4690 -13.4690 -12.8517 -12.8517 -9.7773 -9.7773 -8.6845 -8.6845 3.0943 3.0943 3.1628 3.1628 4.4041 4.4041 4.4326 4.4326 4.5664 4.5664 4.7259 4.7259 6.3924 6.3924 6.9978 6.9978 7.4559 7.4559 7.5929 7.5929 7.7535 7.7535 10.4315 10.4315 12.0686 12.0686 13.3345 13.3345 14.2009 14.2009 k = 0.5164-0.7370-0.4518 ( 2254 PWs) bands (ev): -33.2202 -33.2202 -14.7474 -14.7474 -13.4690 -13.4690 -12.8517 -12.8517 -9.7779 -9.7779 -8.6838 -8.6838 3.0795 3.0795 3.1769 3.1769 4.4054 4.4054 4.4297 4.4297 4.5664 4.5664 4.7293 4.7293 6.3923 6.3923 6.9978 6.9978 7.4554 7.4554 7.5924 7.5924 7.7528 7.7528 10.4331 10.4331 12.0689 12.0689 13.3338 13.3338 14.2010 14.2010 k = 0.5329-0.7290-0.4469 ( 2258 PWs) bands (ev): -33.2202 -33.2202 -14.7473 -14.7473 -13.4690 -13.4690 -12.8517 -12.8517 -9.7799 -9.7799 -8.6817 -8.6817 3.0501 3.0501 3.2043 3.2043 4.4091 4.4091 4.4218 4.4218 4.5662 4.5662 4.7393 4.7393 6.3919 6.3919 6.9977 6.9977 7.4540 7.4540 7.5909 7.5909 7.7506 7.7506 10.4377 10.4377 12.0699 12.0699 13.3317 13.3317 14.2014 14.2014 k = 0.5493-0.7210-0.4420 ( 2258 PWs) bands (ev): -33.2202 -33.2202 -14.7471 -14.7471 -13.4688 -13.4688 -12.8518 -12.8518 -9.7831 -9.7831 -8.6783 -8.6783 3.0168 3.0168 3.2343 3.2343 4.4063 4.4063 4.4188 4.4188 4.5659 4.5659 4.7547 4.7547 6.3912 6.3912 6.9976 6.9976 7.4517 7.4517 7.5884 7.5884 7.7469 7.7469 10.4453 10.4453 12.0714 12.0714 13.3282 13.3282 14.2019 14.2019 k = 0.5657-0.7130-0.4371 ( 2264 PWs) bands (ev): -33.2202 -33.2202 -14.7468 -14.7468 -13.4687 -13.4687 -12.8518 -12.8518 -9.7875 -9.7875 -8.6736 -8.6736 2.9823 2.9823 3.2643 3.2643 4.3907 4.3907 4.4281 4.4281 4.5654 4.5654 4.7744 4.7744 6.3903 6.3903 6.9973 6.9973 7.4484 7.4484 7.5849 7.5849 7.7420 7.7420 10.4560 10.4560 12.0736 12.0736 13.3229 13.3229 14.2027 14.2027 k = 0.5821-0.7050-0.4322 ( 2262 PWs) bands (ev): -33.2202 -33.2202 -14.7464 -14.7464 -13.4684 -13.4684 -12.8519 -12.8519 -9.7930 -9.7930 -8.6677 -8.6677 2.9473 2.9473 3.2934 3.2934 4.3722 4.3722 4.4409 4.4409 4.5648 4.5648 4.7974 4.7974 6.3892 6.3892 6.9971 6.9971 7.4440 7.4440 7.5804 7.5804 7.7361 7.7361 10.4696 10.4696 12.0764 12.0764 13.3158 13.3158 14.2035 14.2035 k = 0.5986-0.6970-0.4273 ( 2264 PWs) bands (ev): -33.2203 -33.2203 -14.7460 -14.7460 -13.4682 -13.4682 -12.8519 -12.8519 -9.7995 -9.7995 -8.6607 -8.6607 2.9124 2.9124 3.3213 3.3213 4.3522 4.3522 4.4566 4.4566 4.5641 4.5641 4.8226 4.8226 6.3878 6.3878 6.9967 6.9967 7.4385 7.4385 7.5748 7.5748 7.7292 7.7292 10.4861 10.4861 12.0796 12.0796 13.3063 13.3063 14.2045 14.2045 k = 0.6150-0.6890-0.4224 ( 2266 PWs) bands (ev): -33.2203 -33.2203 -14.7454 -14.7454 -13.4679 -13.4679 -12.8520 -12.8520 -9.8069 -9.8069 -8.6528 -8.6528 2.8776 2.8776 3.3479 3.3479 4.3313 4.3313 4.4750 4.4750 4.5632 4.5632 4.8495 4.8495 6.3862 6.3862 6.9964 6.9964 7.4318 7.4318 7.5681 7.5681 7.7218 7.7218 10.5054 10.5054 12.0833 12.0833 13.2943 13.2943 14.2052 14.2052 k = 0.6314-0.6810-0.4175 ( 2264 PWs) bands (ev): -33.2203 -33.2203 -14.7448 -14.7448 -13.4675 -13.4675 -12.8521 -12.8521 -9.8150 -9.8150 -8.6441 -8.6441 2.8433 2.8433 3.3728 3.3728 4.3100 4.3100 4.4958 4.4958 4.5623 4.5623 4.8775 4.8775 6.3844 6.3844 6.9959 6.9959 7.4238 7.4238 7.5602 7.5602 7.7141 7.7141 10.5275 10.5275 12.0873 12.0873 13.2792 13.2792 14.2052 14.2052 k = 0.6478-0.6729-0.4126 ( 2264 PWs) bands (ev): -33.2204 -33.2204 -14.7442 -14.7442 -13.4671 -13.4671 -12.8522 -12.8522 -9.8238 -9.8238 -8.6347 -8.6347 2.8097 2.8097 3.3962 3.3962 4.2887 4.2887 4.5183 4.5183 4.5620 4.5620 4.9064 4.9064 6.3824 6.3824 6.9954 6.9954 7.4143 7.4143 7.5511 7.5511 7.7063 7.7063 10.5523 10.5523 12.0916 12.0916 13.2606 13.2606 14.2015 14.2015 k = 0.6643-0.6649-0.4076 ( 2262 PWs) bands (ev): -33.2204 -33.2204 -14.7434 -14.7434 -13.4667 -13.4667 -12.8523 -12.8523 -9.8330 -9.8330 -8.6247 -8.6247 2.7768 2.7768 3.4180 3.4180 4.2676 4.2676 4.5391 4.5391 4.5654 4.5654 4.9357 4.9357 6.3801 6.3801 6.9948 6.9948 7.4034 7.4034 7.5408 7.5408 7.6989 7.6989 10.5796 10.5796 12.0961 12.0961 13.2382 13.2382 14.1784 14.1784 k = 0.6807-0.6569-0.4027 ( 2264 PWs) bands (ev): -33.2204 -33.2204 -14.7426 -14.7426 -13.4663 -13.4663 -12.8524 -12.8524 -9.8426 -9.8426 -8.6145 -8.6145 2.7448 2.7448 3.4381 3.4381 4.2468 4.2468 4.5475 4.5475 4.5829 4.5829 4.9654 4.9654 6.3776 6.3776 6.9941 6.9941 7.3908 7.3908 7.5294 7.5294 7.6918 7.6918 10.6092 10.6092 12.1005 12.1005 13.2118 13.2118 14.1325 14.1325 k = 0.6971-0.6489-0.3978 ( 2263 PWs) bands (ev): -33.2205 -33.2205 -14.7418 -14.7418 -13.4658 -13.4658 -12.8525 -12.8525 -9.8523 -9.8523 -8.6040 -8.6040 2.7138 2.7138 3.4568 3.4568 4.2266 4.2266 4.5471 4.5471 4.6108 4.6108 4.9951 4.9951 6.3750 6.3750 6.9934 6.9934 7.3767 7.3767 7.5170 7.5170 7.6855 7.6855 10.6412 10.6412 12.1049 12.1049 13.1812 13.1812 14.0845 14.0845 k = 0.7135-0.6409-0.3929 ( 2265 PWs) bands (ev): -33.2205 -33.2205 -14.7409 -14.7409 -13.4653 -13.4653 -12.8526 -12.8526 -9.8621 -9.8621 -8.5934 -8.5934 2.6839 2.6839 3.4740 3.4740 4.2070 4.2070 4.5444 4.5444 4.6422 4.6422 5.0247 5.0247 6.3722 6.3722 6.9925 6.9925 7.3610 7.3610 7.5038 7.5038 7.6798 7.6798 10.6752 10.6752 12.1089 12.1089 13.1469 13.1469 14.0397 14.0397 k = 0.7300-0.6329-0.3880 ( 2265 PWs) bands (ev): -33.2206 -33.2206 -14.7400 -14.7400 -13.4648 -13.4648 -12.8528 -12.8528 -9.8718 -9.8718 -8.5829 -8.5829 2.6553 2.6553 3.4899 3.4899 4.1882 4.1882 4.5405 4.5405 4.6755 4.6755 5.0540 5.0540 6.3692 6.3692 6.9916 6.9916 7.3438 7.3438 7.4900 7.4900 7.6749 7.6749 10.7110 10.7110 12.1123 12.1123 13.1093 13.1093 13.9991 13.9991 k = 0.7464-0.6249-0.3831 ( 2267 PWs) bands (ev): -33.2207 -33.2207 -14.7391 -14.7391 -13.4643 -13.4643 -12.8529 -12.8529 -9.8814 -9.8814 -8.5726 -8.5726 2.6280 2.6280 3.5046 3.5046 4.1701 4.1701 4.5359 4.5359 4.7101 4.7101 5.0829 5.0829 6.3661 6.3661 6.9905 6.9905 7.3252 7.3252 7.4758 7.4758 7.6706 7.6706 10.7486 10.7486 12.1150 12.1150 13.0693 13.0693 13.9628 13.9628 k = 0.7628-0.6169-0.3782 ( 2269 PWs) bands (ev): -33.2207 -33.2207 -14.7381 -14.7381 -13.4638 -13.4638 -12.8531 -12.8531 -9.8906 -9.8906 -8.5626 -8.5626 2.6020 2.6020 3.5182 3.5182 4.1529 4.1529 4.5306 4.5306 4.7455 4.7455 5.1111 5.1111 6.3630 6.3630 6.9893 6.9893 7.3055 7.3055 7.4614 7.4614 7.6670 7.6670 10.7875 10.7875 12.1167 12.1167 13.0281 13.0281 13.9306 13.9306 k = 0.7792-0.6089-0.3733 ( 2273 PWs) bands (ev): -33.2208 -33.2208 -14.7371 -14.7371 -13.4633 -13.4633 -12.8533 -12.8533 -9.8994 -9.8994 -8.5531 -8.5531 2.5776 2.5776 3.5309 3.5309 4.1366 4.1366 4.5246 4.5246 4.7812 4.7812 5.1387 5.1387 6.3597 6.3597 6.9880 6.9880 7.2849 7.2849 7.4469 7.4469 7.6638 7.6638 10.8274 10.8274 12.1170 12.1170 12.9868 12.9868 13.9019 13.9019 k = 0.7957-0.6008-0.3684 ( 2277 PWs) bands (ev): -33.2209 -33.2209 -14.7361 -14.7361 -13.4628 -13.4628 -12.8534 -12.8534 -9.9076 -9.9076 -8.5442 -8.5442 2.5547 2.5547 3.5428 3.5428 4.1212 4.1212 4.5179 4.5179 4.8170 4.8170 5.1653 5.1653 6.3564 6.3564 6.9866 6.9866 7.2638 7.2638 7.4326 7.4326 7.6612 7.6612 10.8681 10.8681 12.1157 12.1157 12.9469 12.9469 13.8759 13.8759 k = 0.8121-0.5928-0.3634 ( 2282 PWs) bands (ev): -33.2209 -33.2209 -14.7351 -14.7351 -13.4623 -13.4623 -12.8536 -12.8536 -9.9153 -9.9153 -8.5359 -8.5359 2.5334 2.5334 3.5540 3.5540 4.1068 4.1068 4.5105 4.5105 4.8523 4.8523 5.1909 5.1909 6.3530 6.3530 6.9850 6.9850 7.2426 7.2426 7.4186 7.4186 7.6588 7.6588 10.9091 10.9091 12.1125 12.1125 12.9097 12.9097 13.8520 13.8520 Writing output data file YCuO2.save init_run : 0.60s CPU 0.89s WALL ( 1 calls) electrons : 132.87s CPU 135.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 132.86s CPU 134.99s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 348 calls) cegterg : 118.31s CPU 119.71s WALL ( 395 calls) Called by sum_band: Called by *egterg: h_psi : 89.17s CPU 90.26s WALL ( 6571 calls) s_psi : 2.96s CPU 3.10s WALL ( 6571 calls) g_psi : 0.10s CPU 0.10s WALL ( 5828 calls) cdiaghg : 32.66s CPU 32.89s WALL ( 6176 calls) cegterg:over : 2.42s CPU 2.59s WALL ( 5828 calls) cegterg:upda : 1.72s CPU 1.75s WALL ( 5828 calls) cegterg:last : 1.11s CPU 1.11s WALL ( 1091 calls) cdiaghg:chol : 1.66s CPU 1.74s WALL ( 6176 calls) cdiaghg:inve : 1.08s CPU 1.02s WALL ( 6176 calls) cdiaghg:para : 1.91s CPU 1.88s WALL ( 12352 calls) Called by h_psi: h_psi:vloc : 84.52s CPU 85.56s WALL ( 6571 calls) h_psi:vnl : 4.60s CPU 4.62s WALL ( 6571 calls) add_vuspsi : 2.50s CPU 2.46s WALL ( 6571 calls) General routines calbec : 2.07s CPU 2.14s WALL ( 6571 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 78.90s CPU 79.92s WALL ( 619480 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.12s WALL ( 696 calls) Parallel routines fft_scatter : 18.70s CPU 19.24s WALL ( 619503 calls) PWSCF : 2m25.36s CPU 2m50.53s WALL This run was terminated on: 18: 3: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=