Program PWSCF v.5.1.1 starts on 28Oct2015 at 8:35:15 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./BC2N.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 13 4 683 263 46 Max 26 14 5 687 279 48 Sum 1231 665 205 32883 12985 2245 bravais-lattice index = 14 lattice parameter (alat) = 6.8843 a.u. unit-cell volume = 329.2051 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.884272 celldm(2)= 1.000000 celldm(3)= 1.012627 celldm(4)= 0.047629 celldm(5)= 0.047629 celldm(6)= 0.053382 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.053382 0.998574 0.000000 ) a(3) = ( 0.048231 0.045721 1.010444 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.053458 -0.045313 ) b(2) = ( 0.000000 1.001428 -0.045313 ) b(3) = ( 0.000000 0.000000 0.989664 ) PseudoPot. # 1 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 402 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0083333 0.0078997 -0.0007552), wk = 0.0024876 k( 3) = ( 0.0166667 0.0157995 -0.0015104), wk = 0.0024876 k( 4) = ( 0.0250000 0.0236992 -0.0022657), wk = 0.0024876 k( 5) = ( 0.0333333 0.0315990 -0.0030209), wk = 0.0024876 k( 6) = ( 0.0416667 0.0394988 -0.0037761), wk = 0.0024876 k( 7) = ( 0.0500000 0.0473985 -0.0045313), wk = 0.0024876 k( 8) = ( 0.0583333 0.0552982 -0.0052866), wk = 0.0024876 k( 9) = ( 0.0666667 0.0631980 -0.0060418), wk = 0.0024876 k( 10) = ( 0.0750000 0.0710977 -0.0067970), wk = 0.0024876 k( 11) = ( 0.0833333 0.0789975 -0.0075522), wk = 0.0024876 k( 12) = ( 0.0916667 0.0868972 -0.0083075), wk = 0.0024876 k( 13) = ( 0.1000000 0.0947970 -0.0090627), wk = 0.0024876 k( 14) = ( 0.1083333 0.1026967 -0.0098179), wk = 0.0024876 k( 15) = ( 0.1166667 0.1105965 -0.0105731), wk = 0.0024876 k( 16) = ( 0.1250000 0.1184962 -0.0113284), wk = 0.0024876 k( 17) = ( 0.1333333 0.1263960 -0.0120836), wk = 0.0024876 k( 18) = ( 0.1416667 0.1342957 -0.0128388), wk = 0.0024876 k( 19) = ( 0.1500000 0.1421955 -0.0135940), wk = 0.0024876 k( 20) = ( 0.1583333 0.1500952 -0.0143493), wk = 0.0024876 k( 21) = ( 0.1666667 0.1579950 -0.0151045), wk = 0.0024876 k( 22) = ( 0.1750000 0.1658947 -0.0158597), wk = 0.0024876 k( 23) = ( 0.1833333 0.1737945 -0.0166149), wk = 0.0024876 k( 24) = ( 0.1916667 0.1816942 -0.0173702), wk = 0.0024876 k( 25) = ( 0.2000000 0.1895940 -0.0181254), wk = 0.0024876 k( 26) = ( 0.2083333 0.1974937 -0.0188806), wk = 0.0024876 k( 27) = ( 0.2166667 0.2053935 -0.0196358), wk = 0.0024876 k( 28) = ( 0.2250000 0.2132932 -0.0203911), wk = 0.0024876 k( 29) = ( 0.2333333 0.2211930 -0.0211463), wk = 0.0024876 k( 30) = ( 0.2416667 0.2290927 -0.0219015), wk = 0.0024876 k( 31) = ( 0.2500000 0.2369925 -0.0226567), wk = 0.0024876 k( 32) = ( 0.2583333 0.2448922 -0.0234120), wk = 0.0024876 k( 33) = ( 0.2666667 0.2527920 -0.0241672), wk = 0.0024876 k( 34) = ( 0.2750000 0.2606917 -0.0249224), wk = 0.0024876 k( 35) = ( 0.2833333 0.2685915 -0.0256776), wk = 0.0024876 k( 36) = ( 0.2916667 0.2764912 -0.0264329), wk = 0.0024876 k( 37) = ( 0.3000000 0.2843910 -0.0271881), wk = 0.0024876 k( 38) = ( 0.3083333 0.2922907 -0.0279433), wk = 0.0024876 k( 39) = ( 0.3166667 0.3001905 -0.0286985), wk = 0.0024876 k( 40) = ( 0.3250000 0.3080902 -0.0294537), wk = 0.0024876 k( 41) = ( 0.3333333 0.3159900 -0.0302090), wk = 0.0024876 k( 42) = ( 0.3416667 0.3238897 -0.0309642), wk = 0.0024876 k( 43) = ( 0.3500000 0.3317895 -0.0317194), wk = 0.0024876 k( 44) = ( 0.3583333 0.3396892 -0.0324746), wk = 0.0024876 k( 45) = ( 0.3666667 0.3475890 -0.0332299), wk = 0.0024876 k( 46) = ( 0.3750000 0.3554887 -0.0339851), wk = 0.0024876 k( 47) = ( 0.3833333 0.3633885 -0.0347403), wk = 0.0024876 k( 48) = ( 0.3916667 0.3712882 -0.0354955), wk = 0.0024876 k( 49) = ( 0.4000000 0.3791880 -0.0362508), wk = 0.0024876 k( 50) = ( 0.4083333 0.3870877 -0.0370060), wk = 0.0024876 k( 51) = ( 0.4166667 0.3949875 -0.0377612), wk = 0.0024876 k( 52) = ( 0.4250000 0.4028872 -0.0385164), wk = 0.0024876 k( 53) = ( 0.4333333 0.4107870 -0.0392717), wk = 0.0024876 k( 54) = ( 0.4416667 0.4186867 -0.0400269), wk = 0.0024876 k( 55) = ( 0.4500000 0.4265865 -0.0407821), wk = 0.0024876 k( 56) = ( 0.4583333 0.4344862 -0.0415373), wk = 0.0024876 k( 57) = ( 0.4666667 0.4423860 -0.0422926), wk = 0.0024876 k( 58) = ( 0.4750000 0.4502857 -0.0430478), wk = 0.0024876 k( 59) = ( 0.4833333 0.4581855 -0.0438030), wk = 0.0024876 k( 60) = ( 0.4916667 0.4660852 -0.0445582), wk = 0.0024876 k( 61) = ( 0.5000000 0.4739850 -0.0453135), wk = 0.0024876 k( 62) = ( 0.5000000 0.4739850 -0.0453135), wk = 0.0024876 k( 63) = ( 0.5005502 0.4745065 -0.0337873), wk = 0.0024876 k( 64) = ( 0.5011003 0.4750281 -0.0222612), wk = 0.0024876 k( 65) = ( 0.5016505 0.4755496 -0.0107351), wk = 0.0024876 k( 66) = ( 0.5022007 0.4760712 0.0007910), wk = 0.0024876 k( 67) = ( 0.5027508 0.4765927 0.0123171), wk = 0.0024876 k( 68) = ( 0.5033010 0.4771142 0.0238432), wk = 0.0024876 k( 69) = ( 0.5038512 0.4776358 0.0353694), wk = 0.0024876 k( 70) = ( 0.5044013 0.4781573 0.0468955), wk = 0.0024876 k( 71) = ( 0.5049515 0.4786789 0.0584216), wk = 0.0024876 k( 72) = ( 0.5055017 0.4792004 0.0699477), wk = 0.0024876 k( 73) = ( 0.5060519 0.4797220 0.0814738), wk = 0.0024876 k( 74) = ( 0.5066020 0.4802435 0.0930000), wk = 0.0024876 k( 75) = ( 0.5071522 0.4807650 0.1045261), wk = 0.0024876 k( 76) = ( 0.5077024 0.4812866 0.1160522), wk = 0.0024876 k( 77) = ( 0.5082525 0.4818081 0.1275783), wk = 0.0024876 k( 78) = ( 0.5088027 0.4823297 0.1391044), wk = 0.0024876 k( 79) = ( 0.5093529 0.4828512 0.1506305), wk = 0.0024876 k( 80) = ( 0.5099030 0.4833728 0.1621567), wk = 0.0024876 k( 81) = ( 0.5104532 0.4838943 0.1736828), wk = 0.0024876 k( 82) = ( 0.5110034 0.4844158 0.1852089), wk = 0.0024876 k( 83) = ( 0.5115536 0.4849374 0.1967350), wk = 0.0024876 k( 84) = ( 0.5121037 0.4854589 0.2082611), wk = 0.0024876 k( 85) = ( 0.5126539 0.4859805 0.2197873), wk = 0.0024876 k( 86) = ( 0.5132041 0.4865020 0.2313134), wk = 0.0024876 k( 87) = ( 0.5137542 0.4870236 0.2428395), wk = 0.0024876 k( 88) = ( 0.5143044 0.4875451 0.2543656), wk = 0.0024876 k( 89) = ( 0.5148546 0.4880666 0.2658917), wk = 0.0024876 k( 90) = ( 0.5154047 0.4885882 0.2774179), wk = 0.0024876 k( 91) = ( 0.5159549 0.4891097 0.2889440), wk = 0.0024876 k( 92) = ( 0.5165051 0.4896313 0.3004701), wk = 0.0024876 k( 93) = ( 0.5170552 0.4901528 0.3119962), wk = 0.0024876 k( 94) = ( 0.5176054 0.4906744 0.3235223), wk = 0.0024876 k( 95) = ( 0.5181556 0.4911959 0.3350484), wk = 0.0024876 k( 96) = ( 0.5187057 0.4917175 0.3465746), wk = 0.0024876 k( 97) = ( 0.5192559 0.4922390 0.3581007), wk = 0.0024876 k( 98) = ( 0.5198061 0.4927605 0.3696268), wk = 0.0024876 k( 99) = ( 0.5203562 0.4932821 0.3811529), wk = 0.0024876 k( 100) = ( 0.5209064 0.4938036 0.3926790), wk = 0.0024876 k( 101) = ( 0.5214566 0.4943252 0.4042052), wk = 0.0024876 k( 102) = ( 0.5214566 0.4943252 0.4042052), wk = 0.0024876 k( 103) = ( 0.5171653 0.4902571 0.4132678), wk = 0.0024876 k( 104) = ( 0.5128740 0.4861891 0.4223305), wk = 0.0024876 k( 105) = ( 0.5085826 0.4821211 0.4313932), wk = 0.0024876 k( 106) = ( 0.5042913 0.4780530 0.4404559), wk = 0.0024876 k( 107) = ( 0.5000000 0.4739850 0.4495186), wk = 0.0024876 k( 108) = ( 0.5000000 0.4739850 0.4495186), wk = 0.0024876 k( 109) = ( 0.5075987 0.4659692 0.4495186), wk = 0.0024876 k( 110) = ( 0.5151973 0.4579535 0.4495186), wk = 0.0024876 k( 111) = ( 0.5227960 0.4499378 0.4495186), wk = 0.0024876 k( 112) = ( 0.5303947 0.4419221 0.4495186), wk = 0.0024876 k( 113) = ( 0.5379933 0.4339063 0.4495186), wk = 0.0024876 k( 114) = ( 0.5455920 0.4258906 0.4495186), wk = 0.0024876 k( 115) = ( 0.4544080 -0.4793485 0.4948321), wk = 0.0024876 k( 116) = ( 0.4464359 -0.4709389 0.4948321), wk = 0.0024876 k( 117) = ( 0.4384639 -0.4625293 0.4948321), wk = 0.0024876 k( 118) = ( 0.4304918 -0.4541197 0.4948321), wk = 0.0024876 k( 119) = ( 0.4225197 -0.4457100 0.4948321), wk = 0.0024876 k( 120) = ( 0.4145476 -0.4373004 0.4948321), wk = 0.0024876 k( 121) = ( 0.4065756 -0.4288908 0.4948321), wk = 0.0024876 k( 122) = ( 0.3986035 -0.4204812 0.4948321), wk = 0.0024876 k( 123) = ( 0.3906314 -0.4120715 0.4948321), wk = 0.0024876 k( 124) = ( 0.3826594 -0.4036619 0.4948321), wk = 0.0024876 k( 125) = ( 0.3746873 -0.3952523 0.4948321), wk = 0.0024876 k( 126) = ( 0.3667152 -0.3868427 0.4948321), wk = 0.0024876 k( 127) = ( 0.3587432 -0.3784331 0.4948321), wk = 0.0024876 k( 128) = ( 0.3507711 -0.3700234 0.4948321), wk = 0.0024876 k( 129) = ( 0.3427990 -0.3616138 0.4948321), wk = 0.0024876 k( 130) = ( 0.3348270 -0.3532042 0.4948321), wk = 0.0024876 k( 131) = ( 0.3268549 -0.3447946 0.4948321), wk = 0.0024876 k( 132) = ( 0.3188828 -0.3363849 0.4948321), wk = 0.0024876 k( 133) = ( 0.3109107 -0.3279753 0.4948321), wk = 0.0024876 k( 134) = ( 0.3029387 -0.3195657 0.4948321), wk = 0.0024876 k( 135) = ( 0.2949666 -0.3111561 0.4948321), wk = 0.0024876 k( 136) = ( 0.2869945 -0.3027464 0.4948321), wk = 0.0024876 k( 137) = ( 0.2790225 -0.2943368 0.4948321), wk = 0.0024876 k( 138) = ( 0.2710504 -0.2859272 0.4948321), wk = 0.0024876 k( 139) = ( 0.2630783 -0.2775176 0.4948321), wk = 0.0024876 k( 140) = ( 0.2551062 -0.2691080 0.4948321), wk = 0.0024876 k( 141) = ( 0.2471342 -0.2606983 0.4948321), wk = 0.0024876 k( 142) = ( 0.2391621 -0.2522887 0.4948321), wk = 0.0024876 k( 143) = ( 0.2311900 -0.2438791 0.4948321), wk = 0.0024876 k( 144) = ( 0.2232180 -0.2354695 0.4948321), wk = 0.0024876 k( 145) = ( 0.2152459 -0.2270598 0.4948321), wk = 0.0024876 k( 146) = ( 0.2072738 -0.2186502 0.4948321), wk = 0.0024876 k( 147) = ( 0.1993018 -0.2102406 0.4948321), wk = 0.0024876 k( 148) = ( 0.1913297 -0.2018310 0.4948321), wk = 0.0024876 k( 149) = ( 0.1833576 -0.1934213 0.4948321), wk = 0.0024876 k( 150) = ( 0.1753856 -0.1850117 0.4948321), wk = 0.0024876 k( 151) = ( 0.1674135 -0.1766021 0.4948321), wk = 0.0024876 k( 152) = ( 0.1594414 -0.1681925 0.4948321), wk = 0.0024876 k( 153) = ( 0.1514693 -0.1597828 0.4948321), wk = 0.0024876 k( 154) = ( 0.1434973 -0.1513732 0.4948321), wk = 0.0024876 k( 155) = ( 0.1355252 -0.1429636 0.4948321), wk = 0.0024876 k( 156) = ( 0.1275531 -0.1345540 0.4948321), wk = 0.0024876 k( 157) = ( 0.1195810 -0.1261443 0.4948321), wk = 0.0024876 k( 158) = ( 0.1116090 -0.1177347 0.4948321), wk = 0.0024876 k( 159) = ( 0.1036369 -0.1093251 0.4948321), wk = 0.0024876 k( 160) = ( 0.0956648 -0.1009155 0.4948321), wk = 0.0024876 k( 161) = ( 0.0876928 -0.0925059 0.4948321), wk = 0.0024876 k( 162) = ( 0.0797207 -0.0840962 0.4948321), wk = 0.0024876 k( 163) = ( 0.0717486 -0.0756866 0.4948321), wk = 0.0024876 k( 164) = ( 0.0637766 -0.0672770 0.4948321), wk = 0.0024876 k( 165) = ( 0.0558045 -0.0588674 0.4948321), wk = 0.0024876 k( 166) = ( 0.0478324 -0.0504577 0.4948321), wk = 0.0024876 k( 167) = ( 0.0398604 -0.0420481 0.4948321), wk = 0.0024876 k( 168) = ( 0.0318883 -0.0336385 0.4948321), wk = 0.0024876 k( 169) = ( 0.0239162 -0.0252289 0.4948321), wk = 0.0024876 k( 170) = ( 0.0159441 -0.0168192 0.4948321), wk = 0.0024876 k( 171) = ( 0.0079721 -0.0084096 0.4948321), wk = 0.0024876 k( 172) = ( 0.0000000 0.0000000 0.4948321), wk = 0.0024876 k( 173) = ( 0.0000000 0.0000000 0.4948321), wk = 0.0024876 k( 174) = ( 0.0083955 0.0079587 0.4948321), wk = 0.0024876 k( 175) = ( 0.0167910 0.0159174 0.4948321), wk = 0.0024876 k( 176) = ( 0.0251865 0.0238760 0.4948321), wk = 0.0024876 k( 177) = ( 0.0335820 0.0318347 0.4948321), wk = 0.0024876 k( 178) = ( 0.0419775 0.0397934 0.4948321), wk = 0.0024876 k( 179) = ( 0.0503730 0.0477521 0.4948321), wk = 0.0024876 k( 180) = ( 0.0587685 0.0557108 0.4948321), wk = 0.0024876 k( 181) = ( 0.0671640 0.0636694 0.4948321), wk = 0.0024876 k( 182) = ( 0.0755595 0.0716281 0.4948321), wk = 0.0024876 k( 183) = ( 0.0839550 0.0795868 0.4948321), wk = 0.0024876 k( 184) = ( 0.0923505 0.0875455 0.4948321), wk = 0.0024876 k( 185) = ( 0.1007460 0.0955042 0.4948321), wk = 0.0024876 k( 186) = ( 0.1091415 0.1034628 0.4948321), wk = 0.0024876 k( 187) = ( 0.1175370 0.1114215 0.4948321), wk = 0.0024876 k( 188) = ( 0.1259325 0.1193802 0.4948321), wk = 0.0024876 k( 189) = ( 0.1343280 0.1273389 0.4948321), wk = 0.0024876 k( 190) = ( 0.1427235 0.1352976 0.4948321), wk = 0.0024876 k( 191) = ( 0.1511190 0.1432562 0.4948321), wk = 0.0024876 k( 192) = ( 0.1595145 0.1512149 0.4948321), wk = 0.0024876 k( 193) = ( 0.1679100 0.1591736 0.4948321), wk = 0.0024876 k( 194) = ( 0.1763055 0.1671323 0.4948321), wk = 0.0024876 k( 195) = ( 0.1847010 0.1750910 0.4948321), wk = 0.0024876 k( 196) = ( 0.1930965 0.1830496 0.4948321), wk = 0.0024876 k( 197) = ( 0.2014920 0.1910083 0.4948321), wk = 0.0024876 k( 198) = ( 0.2098875 0.1989670 0.4948321), wk = 0.0024876 k( 199) = ( 0.2182830 0.2069257 0.4948321), wk = 0.0024876 k( 200) = ( 0.2266785 0.2148844 0.4948321), wk = 0.0024876 k( 201) = ( 0.2350740 0.2228430 0.4948321), wk = 0.0024876 k( 202) = ( 0.2434695 0.2308017 0.4948321), wk = 0.0024876 k( 203) = ( 0.2518649 0.2387604 0.4948321), wk = 0.0024876 k( 204) = ( 0.2602604 0.2467191 0.4948321), wk = 0.0024876 k( 205) = ( 0.2686559 0.2546778 0.4948321), wk = 0.0024876 k( 206) = ( 0.2770514 0.2626364 0.4948321), wk = 0.0024876 k( 207) = ( 0.2854469 0.2705951 0.4948321), wk = 0.0024876 k( 208) = ( 0.2938424 0.2785538 0.4948321), wk = 0.0024876 k( 209) = ( 0.3022379 0.2865125 0.4948321), wk = 0.0024876 k( 210) = ( 0.3106334 0.2944712 0.4948321), wk = 0.0024876 k( 211) = ( 0.3190289 0.3024298 0.4948321), wk = 0.0024876 k( 212) = ( 0.3274244 0.3103885 0.4948321), wk = 0.0024876 k( 213) = ( 0.3358199 0.3183472 0.4948321), wk = 0.0024876 k( 214) = ( 0.3442154 0.3263059 0.4948321), wk = 0.0024876 k( 215) = ( 0.3526109 0.3342646 0.4948321), wk = 0.0024876 k( 216) = ( 0.3610064 0.3422232 0.4948321), wk = 0.0024876 k( 217) = ( 0.3694019 0.3501819 0.4948321), wk = 0.0024876 k( 218) = ( 0.3777974 0.3581406 0.4948321), wk = 0.0024876 k( 219) = ( 0.3861929 0.3660993 0.4948321), wk = 0.0024876 k( 220) = ( 0.3945884 0.3740580 0.4948321), wk = 0.0024876 k( 221) = ( 0.4029839 0.3820167 0.4948321), wk = 0.0024876 k( 222) = ( 0.4113794 0.3899753 0.4948321), wk = 0.0024876 k( 223) = ( 0.4197749 0.3979340 0.4948321), wk = 0.0024876 k( 224) = ( 0.4281704 0.4058927 0.4948321), wk = 0.0024876 k( 225) = ( 0.4365659 0.4138514 0.4948321), wk = 0.0024876 k( 226) = ( 0.4449614 0.4218101 0.4948321), wk = 0.0024876 k( 227) = ( 0.4533569 0.4297687 0.4948321), wk = 0.0024876 k( 228) = ( 0.4617524 0.4377274 0.4948321), wk = 0.0024876 k( 229) = ( 0.4701479 0.4456861 0.4948321), wk = 0.0024876 k( 230) = ( 0.4785434 0.4536448 0.4948321), wk = 0.0024876 k( 231) = ( 0.5000000 0.4739850 -0.0453135), wk = 0.0024876 k( 232) = ( 0.5060916 0.4675590 -0.0453135), wk = 0.0024876 k( 233) = ( 0.5121832 0.4611331 -0.0453135), wk = 0.0024876 k( 234) = ( 0.5182748 0.4547071 -0.0453135), wk = 0.0024876 k( 235) = ( 0.5243664 0.4482812 -0.0453135), wk = 0.0024876 k( 236) = ( 0.4756336 -0.5017391 -0.0000000), wk = 0.0024876 k( 237) = ( 0.4677064 -0.4933768 -0.0000000), wk = 0.0024876 k( 238) = ( 0.4597792 -0.4850145 -0.0000000), wk = 0.0024876 k( 239) = ( 0.4518519 -0.4766522 -0.0000000), wk = 0.0024876 k( 240) = ( 0.4439247 -0.4682898 -0.0000000), wk = 0.0024876 k( 241) = ( 0.4359975 -0.4599275 -0.0000000), wk = 0.0024876 k( 242) = ( 0.4280702 -0.4515652 -0.0000000), wk = 0.0024876 k( 243) = ( 0.4201430 -0.4432029 -0.0000000), wk = 0.0024876 k( 244) = ( 0.4122158 -0.4348406 -0.0000000), wk = 0.0024876 k( 245) = ( 0.4042886 -0.4264782 -0.0000000), wk = 0.0024876 k( 246) = ( 0.3963613 -0.4181159 -0.0000000), wk = 0.0024876 k( 247) = ( 0.3884341 -0.4097536 -0.0000000), wk = 0.0024876 k( 248) = ( 0.3805069 -0.4013913 -0.0000000), wk = 0.0024876 k( 249) = ( 0.3725797 -0.3930290 -0.0000000), wk = 0.0024876 k( 250) = ( 0.3646524 -0.3846667 -0.0000000), wk = 0.0024876 k( 251) = ( 0.3567252 -0.3763043 -0.0000000), wk = 0.0024876 k( 252) = ( 0.3487980 -0.3679420 -0.0000000), wk = 0.0024876 k( 253) = ( 0.3408708 -0.3595797 -0.0000000), wk = 0.0024876 k( 254) = ( 0.3329435 -0.3512174 -0.0000000), wk = 0.0024876 k( 255) = ( 0.3250163 -0.3428551 -0.0000000), wk = 0.0024876 k( 256) = ( 0.3170891 -0.3344927 -0.0000000), wk = 0.0024876 k( 257) = ( 0.3091618 -0.3261304 -0.0000000), wk = 0.0024876 k( 258) = ( 0.3012346 -0.3177681 -0.0000000), wk = 0.0024876 k( 259) = ( 0.2933074 -0.3094058 -0.0000000), wk = 0.0024876 k( 260) = ( 0.2853802 -0.3010435 -0.0000000), wk = 0.0024876 k( 261) = ( 0.2774529 -0.2926812 -0.0000000), wk = 0.0024876 k( 262) = ( 0.2695257 -0.2843188 -0.0000000), wk = 0.0024876 k( 263) = ( 0.2615985 -0.2759565 -0.0000000), wk = 0.0024876 k( 264) = ( 0.2536713 -0.2675942 -0.0000000), wk = 0.0024876 k( 265) = ( 0.2457440 -0.2592319 -0.0000000), wk = 0.0024876 k( 266) = ( 0.2378168 -0.2508696 -0.0000000), wk = 0.0024876 k( 267) = ( 0.2298896 -0.2425072 -0.0000000), wk = 0.0024876 k( 268) = ( 0.2219624 -0.2341449 -0.0000000), wk = 0.0024876 k( 269) = ( 0.2140351 -0.2257826 -0.0000000), wk = 0.0024876 k( 270) = ( 0.2061079 -0.2174203 -0.0000000), wk = 0.0024876 k( 271) = ( 0.1981807 -0.2090580 -0.0000000), wk = 0.0024876 k( 272) = ( 0.1902534 -0.2006956 -0.0000000), wk = 0.0024876 k( 273) = ( 0.1823262 -0.1923333 -0.0000000), wk = 0.0024876 k( 274) = ( 0.1743990 -0.1839710 -0.0000000), wk = 0.0024876 k( 275) = ( 0.1664718 -0.1756087 -0.0000000), wk = 0.0024876 k( 276) = ( 0.1585445 -0.1672464 -0.0000000), wk = 0.0024876 k( 277) = ( 0.1506173 -0.1588841 -0.0000000), wk = 0.0024876 k( 278) = ( 0.1426901 -0.1505217 -0.0000000), wk = 0.0024876 k( 279) = ( 0.1347628 -0.1421594 -0.0000000), wk = 0.0024876 k( 280) = ( 0.1268356 -0.1337971 -0.0000000), wk = 0.0024876 k( 281) = ( 0.1189084 -0.1254348 -0.0000000), wk = 0.0024876 k( 282) = ( 0.1109812 -0.1170725 -0.0000000), wk = 0.0024876 k( 283) = ( 0.1030540 -0.1087101 -0.0000000), wk = 0.0024876 k( 284) = ( 0.0951267 -0.1003478 -0.0000000), wk = 0.0024876 k( 285) = ( 0.0871995 -0.0919855 -0.0000000), wk = 0.0024876 k( 286) = ( 0.0792723 -0.0836232 -0.0000000), wk = 0.0024876 k( 287) = ( 0.0713450 -0.0752609 -0.0000000), wk = 0.0024876 k( 288) = ( 0.0634178 -0.0668985 -0.0000000), wk = 0.0024876 k( 289) = ( 0.0554906 -0.0585362 -0.0000000), wk = 0.0024876 k( 290) = ( 0.0475634 -0.0501739 -0.0000000), wk = 0.0024876 k( 291) = ( 0.0396361 -0.0418116 -0.0000000), wk = 0.0024876 k( 292) = ( 0.0317089 -0.0334493 -0.0000000), wk = 0.0024876 k( 293) = ( 0.0237817 -0.0250870 -0.0000000), wk = 0.0024876 k( 294) = ( 0.0158544 -0.0167246 -0.0000000), wk = 0.0024876 k( 295) = ( 0.0079272 -0.0083623 -0.0000000), wk = 0.0024876 k( 296) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 297) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 298) = ( 0.0113636 -0.0006075 -0.0005149), wk = 0.0024876 k( 299) = ( 0.0227273 -0.0012150 -0.0010299), wk = 0.0024876 k( 300) = ( 0.0340909 -0.0018224 -0.0015448), wk = 0.0024876 k( 301) = ( 0.0454546 -0.0024299 -0.0020597), wk = 0.0024876 k( 302) = ( 0.0568182 -0.0030374 -0.0025746), wk = 0.0024876 k( 303) = ( 0.0681818 -0.0036449 -0.0030896), wk = 0.0024876 k( 304) = ( 0.0795455 -0.0042523 -0.0036045), wk = 0.0024876 k( 305) = ( 0.0909091 -0.0048598 -0.0041194), wk = 0.0024876 k( 306) = ( 0.1022727 -0.0054673 -0.0046343), wk = 0.0024876 k( 307) = ( 0.1136364 -0.0060748 -0.0051493), wk = 0.0024876 k( 308) = ( 0.1250000 -0.0066822 -0.0056642), wk = 0.0024876 k( 309) = ( 0.1363636 -0.0072897 -0.0061791), wk = 0.0024876 k( 310) = ( 0.1477273 -0.0078972 -0.0066940), wk = 0.0024876 k( 311) = ( 0.1590909 -0.0085047 -0.0072090), wk = 0.0024876 k( 312) = ( 0.1704546 -0.0091121 -0.0077239), wk = 0.0024876 k( 313) = ( 0.1818182 -0.0097196 -0.0082388), wk = 0.0024876 k( 314) = ( 0.1931818 -0.0103271 -0.0087537), wk = 0.0024876 k( 315) = ( 0.2045454 -0.0109346 -0.0092687), wk = 0.0024876 k( 316) = ( 0.2159091 -0.0115420 -0.0097836), wk = 0.0024876 k( 317) = ( 0.2272727 -0.0121495 -0.0102985), wk = 0.0024876 k( 318) = ( 0.2386364 -0.0127570 -0.0108134), wk = 0.0024876 k( 319) = ( 0.2500000 -0.0133645 -0.0113284), wk = 0.0024876 k( 320) = ( 0.2613636 -0.0139720 -0.0118433), wk = 0.0024876 k( 321) = ( 0.2727273 -0.0145794 -0.0123582), wk = 0.0024876 k( 322) = ( 0.2840909 -0.0151869 -0.0128731), wk = 0.0024876 k( 323) = ( 0.2954545 -0.0157944 -0.0133881), wk = 0.0024876 k( 324) = ( 0.3068182 -0.0164019 -0.0139030), wk = 0.0024876 k( 325) = ( 0.3181818 -0.0170093 -0.0144179), wk = 0.0024876 k( 326) = ( 0.3295455 -0.0176168 -0.0149328), wk = 0.0024876 k( 327) = ( 0.3409091 -0.0182243 -0.0154478), wk = 0.0024876 k( 328) = ( 0.3522727 -0.0188318 -0.0159627), wk = 0.0024876 k( 329) = ( 0.3636364 -0.0194392 -0.0164776), wk = 0.0024876 k( 330) = ( 0.3750000 -0.0200467 -0.0169925), wk = 0.0024876 k( 331) = ( 0.3863636 -0.0206542 -0.0175075), wk = 0.0024876 k( 332) = ( 0.3977273 -0.0212617 -0.0180224), wk = 0.0024876 k( 333) = ( 0.4090909 -0.0218691 -0.0185373), wk = 0.0024876 k( 334) = ( 0.4204545 -0.0224766 -0.0190523), wk = 0.0024876 k( 335) = ( 0.4318182 -0.0230841 -0.0195672), wk = 0.0024876 k( 336) = ( 0.4431818 -0.0236916 -0.0200821), wk = 0.0024876 k( 337) = ( 0.4545455 -0.0242991 -0.0205970), wk = 0.0024876 k( 338) = ( 0.4659091 -0.0249065 -0.0211120), wk = 0.0024876 k( 339) = ( 0.4772727 -0.0255140 -0.0216269), wk = 0.0024876 k( 340) = ( 0.4886364 -0.0261215 -0.0221418), wk = 0.0024876 k( 341) = ( 0.5000000 -0.0267290 -0.0226567), wk = 0.0024876 k( 342) = ( 0.5000000 -0.0267290 0.4721753), wk = 0.0024876 k( 343) = ( 0.4916667 -0.0262835 0.4643058), wk = 0.0024876 k( 344) = ( 0.4833333 -0.0258380 0.4564362), wk = 0.0024876 k( 345) = ( 0.4750000 -0.0253925 0.4485666), wk = 0.0024876 k( 346) = ( 0.4666667 -0.0249470 0.4406970), wk = 0.0024876 k( 347) = ( 0.4583333 -0.0245015 0.4328274), wk = 0.0024876 k( 348) = ( 0.4500000 -0.0240561 0.4249578), wk = 0.0024876 k( 349) = ( 0.4416667 -0.0236106 0.4170882), wk = 0.0024876 k( 350) = ( 0.4333333 -0.0231651 0.4092186), wk = 0.0024876 k( 351) = ( 0.4250000 -0.0227196 0.4013490), wk = 0.0024876 k( 352) = ( 0.4166667 -0.0222741 0.3934795), wk = 0.0024876 k( 353) = ( 0.4083333 -0.0218286 0.3856099), wk = 0.0024876 k( 354) = ( 0.4000000 -0.0213832 0.3777403), wk = 0.0024876 k( 355) = ( 0.3916667 -0.0209377 0.3698707), wk = 0.0024876 k( 356) = ( 0.3833333 -0.0204922 0.3620011), wk = 0.0024876 k( 357) = ( 0.3750000 -0.0200467 0.3541315), wk = 0.0024876 k( 358) = ( 0.3666667 -0.0196012 0.3462619), wk = 0.0024876 k( 359) = ( 0.3583333 -0.0191558 0.3383923), wk = 0.0024876 k( 360) = ( 0.3500000 -0.0187103 0.3305227), wk = 0.0024876 k( 361) = ( 0.3416667 -0.0182648 0.3226532), wk = 0.0024876 k( 362) = ( 0.3333333 -0.0178193 0.3147836), wk = 0.0024876 k( 363) = ( 0.3250000 -0.0173738 0.3069140), wk = 0.0024876 k( 364) = ( 0.3166667 -0.0169283 0.2990444), wk = 0.0024876 k( 365) = ( 0.3083333 -0.0164829 0.2911748), wk = 0.0024876 k( 366) = ( 0.3000000 -0.0160374 0.2833052), wk = 0.0024876 k( 367) = ( 0.2916667 -0.0155919 0.2754356), wk = 0.0024876 k( 368) = ( 0.2833333 -0.0151464 0.2675660), wk = 0.0024876 k( 369) = ( 0.2750000 -0.0147009 0.2596964), wk = 0.0024876 k( 370) = ( 0.2666667 -0.0142554 0.2518269), wk = 0.0024876 k( 371) = ( 0.2583333 -0.0138100 0.2439573), wk = 0.0024876 k( 372) = ( 0.2500000 -0.0133645 0.2360877), wk = 0.0024876 k( 373) = ( 0.2416667 -0.0129190 0.2282181), wk = 0.0024876 k( 374) = ( 0.2333333 -0.0124735 0.2203485), wk = 0.0024876 k( 375) = ( 0.2250000 -0.0120280 0.2124789), wk = 0.0024876 k( 376) = ( 0.2166667 -0.0115825 0.2046093), wk = 0.0024876 k( 377) = ( 0.2083333 -0.0111371 0.1967397), wk = 0.0024876 k( 378) = ( 0.2000000 -0.0106916 0.1888701), wk = 0.0024876 k( 379) = ( 0.1916667 -0.0102461 0.1810006), wk = 0.0024876 k( 380) = ( 0.1833333 -0.0098006 0.1731310), wk = 0.0024876 k( 381) = ( 0.1750000 -0.0093551 0.1652614), wk = 0.0024876 k( 382) = ( 0.1666667 -0.0089097 0.1573918), wk = 0.0024876 k( 383) = ( 0.1583333 -0.0084642 0.1495222), wk = 0.0024876 k( 384) = ( 0.1500000 -0.0080187 0.1416526), wk = 0.0024876 k( 385) = ( 0.1416667 -0.0075732 0.1337830), wk = 0.0024876 k( 386) = ( 0.1333333 -0.0071277 0.1259134), wk = 0.0024876 k( 387) = ( 0.1250000 -0.0066822 0.1180438), wk = 0.0024876 k( 388) = ( 0.1166667 -0.0062368 0.1101742), wk = 0.0024876 k( 389) = ( 0.1083333 -0.0057913 0.1023047), wk = 0.0024876 k( 390) = ( 0.1000000 -0.0053458 0.0944351), wk = 0.0024876 k( 391) = ( 0.0916667 -0.0049003 0.0865655), wk = 0.0024876 k( 392) = ( 0.0833333 -0.0044548 0.0786959), wk = 0.0024876 k( 393) = ( 0.0750000 -0.0040093 0.0708263), wk = 0.0024876 k( 394) = ( 0.0666667 -0.0035639 0.0629567), wk = 0.0024876 k( 395) = ( 0.0583333 -0.0031184 0.0550871), wk = 0.0024876 k( 396) = ( 0.0500000 -0.0026729 0.0472175), wk = 0.0024876 k( 397) = ( 0.0416667 -0.0022274 0.0393479), wk = 0.0024876 k( 398) = ( 0.0333333 -0.0017819 0.0314784), wk = 0.0024876 k( 399) = ( 0.0250000 -0.0013364 0.0236088), wk = 0.0024876 k( 400) = ( 0.0166667 -0.0008910 0.0157392), wk = 0.0024876 k( 401) = ( 0.0083333 -0.0004455 0.0078696), wk = 0.0024876 k( 402) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0024876 k( 3) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0024876 k( 4) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0024876 k( 5) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0024876 k( 6) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0024876 k( 7) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0024876 k( 8) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0024876 k( 9) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0024876 k( 10) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0024876 k( 11) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0024876 k( 12) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0024876 k( 13) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0024876 k( 14) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0024876 k( 15) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0024876 k( 16) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0024876 k( 17) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0024876 k( 18) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0024876 k( 19) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0024876 k( 20) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0024876 k( 21) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0024876 k( 22) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0024876 k( 23) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0024876 k( 24) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0024876 k( 25) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0024876 k( 26) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0024876 k( 27) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0024876 k( 28) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0024876 k( 29) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0024876 k( 30) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0024876 k( 31) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024876 k( 32) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0024876 k( 33) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0024876 k( 34) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0024876 k( 35) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0024876 k( 36) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0024876 k( 37) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0024876 k( 38) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0024876 k( 39) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0024876 k( 40) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0024876 k( 41) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024876 k( 42) = ( 0.3416667 0.3416667 0.0000000), wk = 0.0024876 k( 43) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0024876 k( 44) = ( 0.3583333 0.3583333 0.0000000), wk = 0.0024876 k( 45) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0024876 k( 46) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0024876 k( 47) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0024876 k( 48) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0024876 k( 49) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0024876 k( 50) = ( 0.4083333 0.4083333 0.0000000), wk = 0.0024876 k( 51) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0024876 k( 52) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0024876 k( 53) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0024876 k( 54) = ( 0.4416667 0.4416667 0.0000000), wk = 0.0024876 k( 55) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0024876 k( 56) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0024876 k( 57) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0024876 k( 58) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0024876 k( 59) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0024876 k( 60) = ( 0.4916667 0.4916667 0.0000000), wk = 0.0024876 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 63) = ( 0.5005502 0.5005502 0.0116969), wk = 0.0024876 k( 64) = ( 0.5011003 0.5011003 0.0233937), wk = 0.0024876 k( 65) = ( 0.5016505 0.5016505 0.0350906), wk = 0.0024876 k( 66) = ( 0.5022007 0.5022007 0.0467875), wk = 0.0024876 k( 67) = ( 0.5027508 0.5027508 0.0584844), wk = 0.0024876 k( 68) = ( 0.5033010 0.5033010 0.0701813), wk = 0.0024876 k( 69) = ( 0.5038512 0.5038512 0.0818781), wk = 0.0024876 k( 70) = ( 0.5044013 0.5044013 0.0935750), wk = 0.0024876 k( 71) = ( 0.5049515 0.5049515 0.1052719), wk = 0.0024876 k( 72) = ( 0.5055017 0.5055017 0.1169688), wk = 0.0024876 k( 73) = ( 0.5060519 0.5060519 0.1286656), wk = 0.0024876 k( 74) = ( 0.5066020 0.5066020 0.1403625), wk = 0.0024876 k( 75) = ( 0.5071522 0.5071522 0.1520594), wk = 0.0024876 k( 76) = ( 0.5077024 0.5077024 0.1637563), wk = 0.0024876 k( 77) = ( 0.5082525 0.5082525 0.1754531), wk = 0.0024876 k( 78) = ( 0.5088027 0.5088027 0.1871500), wk = 0.0024876 k( 79) = ( 0.5093529 0.5093529 0.1988469), wk = 0.0024876 k( 80) = ( 0.5099030 0.5099030 0.2105438), wk = 0.0024876 k( 81) = ( 0.5104532 0.5104532 0.2222406), wk = 0.0024876 k( 82) = ( 0.5110034 0.5110034 0.2339375), wk = 0.0024876 k( 83) = ( 0.5115536 0.5115536 0.2456344), wk = 0.0024876 k( 84) = ( 0.5121037 0.5121037 0.2573313), wk = 0.0024876 k( 85) = ( 0.5126539 0.5126539 0.2690281), wk = 0.0024876 k( 86) = ( 0.5132041 0.5132040 0.2807250), wk = 0.0024876 k( 87) = ( 0.5137542 0.5137542 0.2924219), wk = 0.0024876 k( 88) = ( 0.5143044 0.5143044 0.3041188), wk = 0.0024876 k( 89) = ( 0.5148546 0.5148546 0.3158156), wk = 0.0024876 k( 90) = ( 0.5154047 0.5154047 0.3275125), wk = 0.0024876 k( 91) = ( 0.5159549 0.5159549 0.3392094), wk = 0.0024876 k( 92) = ( 0.5165051 0.5165051 0.3509063), wk = 0.0024876 k( 93) = ( 0.5170552 0.5170552 0.3626031), wk = 0.0024876 k( 94) = ( 0.5176054 0.5176054 0.3743000), wk = 0.0024876 k( 95) = ( 0.5181556 0.5181556 0.3859969), wk = 0.0024876 k( 96) = ( 0.5187057 0.5187057 0.3976938), wk = 0.0024876 k( 97) = ( 0.5192559 0.5192559 0.4093906), wk = 0.0024876 k( 98) = ( 0.5198061 0.5198061 0.4210875), wk = 0.0024876 k( 99) = ( 0.5203562 0.5203562 0.4327844), wk = 0.0024876 k( 100) = ( 0.5209064 0.5209064 0.4444813), wk = 0.0024876 k( 101) = ( 0.5214566 0.5214566 0.4561782), wk = 0.0024876 k( 102) = ( 0.5214566 0.5214566 0.4561782), wk = 0.0024876 k( 103) = ( 0.5171653 0.5171653 0.4649425), wk = 0.0024876 k( 104) = ( 0.5128740 0.5128739 0.4737069), wk = 0.0024876 k( 105) = ( 0.5085826 0.5085826 0.4824713), wk = 0.0024876 k( 106) = ( 0.5042913 0.5042913 0.4912356), wk = 0.0024876 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 108) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 109) = ( 0.5075987 0.4924013 0.5000000), wk = 0.0024876 k( 110) = ( 0.5151973 0.4848027 0.5000000), wk = 0.0024876 k( 111) = ( 0.5227960 0.4772040 0.5000000), wk = 0.0024876 k( 112) = ( 0.5303947 0.4696053 0.5000000), wk = 0.0024876 k( 113) = ( 0.5379933 0.4620067 0.5000000), wk = 0.0024876 k( 114) = ( 0.5455920 0.4544080 0.5000000), wk = 0.0024876 k( 115) = ( 0.4544080 -0.4544080 0.5000000), wk = 0.0024876 k( 116) = ( 0.4464359 -0.4464359 0.5000000), wk = 0.0024876 k( 117) = ( 0.4384639 -0.4384639 0.5000000), wk = 0.0024876 k( 118) = ( 0.4304918 -0.4304918 0.5000000), wk = 0.0024876 k( 119) = ( 0.4225197 -0.4225197 0.5000000), wk = 0.0024876 k( 120) = ( 0.4145476 -0.4145476 0.5000000), wk = 0.0024876 k( 121) = ( 0.4065756 -0.4065756 0.5000000), wk = 0.0024876 k( 122) = ( 0.3986035 -0.3986035 0.5000000), wk = 0.0024876 k( 123) = ( 0.3906314 -0.3906314 0.5000000), wk = 0.0024876 k( 124) = ( 0.3826594 -0.3826594 0.5000000), wk = 0.0024876 k( 125) = ( 0.3746873 -0.3746873 0.5000000), wk = 0.0024876 k( 126) = ( 0.3667152 -0.3667152 0.5000000), wk = 0.0024876 k( 127) = ( 0.3587432 -0.3587432 0.5000000), wk = 0.0024876 k( 128) = ( 0.3507711 -0.3507711 0.5000000), wk = 0.0024876 k( 129) = ( 0.3427990 -0.3427990 0.5000000), wk = 0.0024876 k( 130) = ( 0.3348270 -0.3348269 0.5000000), wk = 0.0024876 k( 131) = ( 0.3268549 -0.3268549 0.5000000), wk = 0.0024876 k( 132) = ( 0.3188828 -0.3188828 0.5000000), wk = 0.0024876 k( 133) = ( 0.3109107 -0.3109107 0.5000000), wk = 0.0024876 k( 134) = ( 0.3029387 -0.3029387 0.5000000), wk = 0.0024876 k( 135) = ( 0.2949666 -0.2949666 0.5000000), wk = 0.0024876 k( 136) = ( 0.2869945 -0.2869945 0.5000000), wk = 0.0024876 k( 137) = ( 0.2790225 -0.2790225 0.5000000), wk = 0.0024876 k( 138) = ( 0.2710504 -0.2710504 0.5000000), wk = 0.0024876 k( 139) = ( 0.2630783 -0.2630783 0.5000000), wk = 0.0024876 k( 140) = ( 0.2551062 -0.2551062 0.5000000), wk = 0.0024876 k( 141) = ( 0.2471342 -0.2471342 0.5000000), wk = 0.0024876 k( 142) = ( 0.2391621 -0.2391621 0.5000000), wk = 0.0024876 k( 143) = ( 0.2311900 -0.2311900 0.5000000), wk = 0.0024876 k( 144) = ( 0.2232180 -0.2232180 0.5000000), wk = 0.0024876 k( 145) = ( 0.2152459 -0.2152459 0.5000000), wk = 0.0024876 k( 146) = ( 0.2072738 -0.2072738 0.5000000), wk = 0.0024876 k( 147) = ( 0.1993018 -0.1993018 0.5000000), wk = 0.0024876 k( 148) = ( 0.1913297 -0.1913297 0.5000000), wk = 0.0024876 k( 149) = ( 0.1833576 -0.1833576 0.5000000), wk = 0.0024876 k( 150) = ( 0.1753856 -0.1753856 0.5000000), wk = 0.0024876 k( 151) = ( 0.1674135 -0.1674135 0.5000000), wk = 0.0024876 k( 152) = ( 0.1594414 -0.1594414 0.5000000), wk = 0.0024876 k( 153) = ( 0.1514693 -0.1514693 0.5000000), wk = 0.0024876 k( 154) = ( 0.1434973 -0.1434973 0.5000000), wk = 0.0024876 k( 155) = ( 0.1355252 -0.1355252 0.5000000), wk = 0.0024876 k( 156) = ( 0.1275531 -0.1275531 0.5000000), wk = 0.0024876 k( 157) = ( 0.1195810 -0.1195810 0.5000000), wk = 0.0024876 k( 158) = ( 0.1116090 -0.1116090 0.5000000), wk = 0.0024876 k( 159) = ( 0.1036369 -0.1036369 0.5000000), wk = 0.0024876 k( 160) = ( 0.0956648 -0.0956648 0.5000000), wk = 0.0024876 k( 161) = ( 0.0876928 -0.0876928 0.5000000), wk = 0.0024876 k( 162) = ( 0.0797207 -0.0797207 0.5000000), wk = 0.0024876 k( 163) = ( 0.0717486 -0.0717486 0.5000000), wk = 0.0024876 k( 164) = ( 0.0637766 -0.0637766 0.5000000), wk = 0.0024876 k( 165) = ( 0.0558045 -0.0558045 0.5000000), wk = 0.0024876 k( 166) = ( 0.0478324 -0.0478324 0.5000000), wk = 0.0024876 k( 167) = ( 0.0398604 -0.0398603 0.5000000), wk = 0.0024876 k( 168) = ( 0.0318883 -0.0318883 0.5000000), wk = 0.0024876 k( 169) = ( 0.0239162 -0.0239162 0.5000000), wk = 0.0024876 k( 170) = ( 0.0159441 -0.0159441 0.5000000), wk = 0.0024876 k( 171) = ( 0.0079721 -0.0079721 0.5000000), wk = 0.0024876 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 174) = ( 0.0083955 0.0083955 0.5007688), wk = 0.0024876 k( 175) = ( 0.0167910 0.0167910 0.5015376), wk = 0.0024876 k( 176) = ( 0.0251865 0.0251865 0.5023064), wk = 0.0024876 k( 177) = ( 0.0335820 0.0335820 0.5030752), wk = 0.0024876 k( 178) = ( 0.0419775 0.0419775 0.5038440), wk = 0.0024876 k( 179) = ( 0.0503730 0.0503730 0.5046128), wk = 0.0024876 k( 180) = ( 0.0587685 0.0587685 0.5053816), wk = 0.0024876 k( 181) = ( 0.0671640 0.0671640 0.5061504), wk = 0.0024876 k( 182) = ( 0.0755595 0.0755595 0.5069192), wk = 0.0024876 k( 183) = ( 0.0839550 0.0839550 0.5076880), wk = 0.0024876 k( 184) = ( 0.0923505 0.0923505 0.5084569), wk = 0.0024876 k( 185) = ( 0.1007460 0.1007460 0.5092256), wk = 0.0024876 k( 186) = ( 0.1091415 0.1091415 0.5099945), wk = 0.0024876 k( 187) = ( 0.1175370 0.1175370 0.5107633), wk = 0.0024876 k( 188) = ( 0.1259325 0.1259325 0.5115321), wk = 0.0024876 k( 189) = ( 0.1343280 0.1343280 0.5123009), wk = 0.0024876 k( 190) = ( 0.1427235 0.1427235 0.5130697), wk = 0.0024876 k( 191) = ( 0.1511190 0.1511190 0.5138385), wk = 0.0024876 k( 192) = ( 0.1595145 0.1595145 0.5146073), wk = 0.0024876 k( 193) = ( 0.1679100 0.1679100 0.5153761), wk = 0.0024876 k( 194) = ( 0.1763055 0.1763055 0.5161449), wk = 0.0024876 k( 195) = ( 0.1847010 0.1847010 0.5169137), wk = 0.0024876 k( 196) = ( 0.1930965 0.1930965 0.5176825), wk = 0.0024876 k( 197) = ( 0.2014920 0.2014920 0.5184513), wk = 0.0024876 k( 198) = ( 0.2098875 0.2098875 0.5192201), wk = 0.0024876 k( 199) = ( 0.2182830 0.2182830 0.5199889), wk = 0.0024876 k( 200) = ( 0.2266785 0.2266785 0.5207577), wk = 0.0024876 k( 201) = ( 0.2350740 0.2350740 0.5215265), wk = 0.0024876 k( 202) = ( 0.2434695 0.2434695 0.5222953), wk = 0.0024876 k( 203) = ( 0.2518649 0.2518649 0.5230641), wk = 0.0024876 k( 204) = ( 0.2602604 0.2602604 0.5238329), wk = 0.0024876 k( 205) = ( 0.2686559 0.2686559 0.5246017), wk = 0.0024876 k( 206) = ( 0.2770514 0.2770514 0.5253706), wk = 0.0024876 k( 207) = ( 0.2854469 0.2854469 0.5261394), wk = 0.0024876 k( 208) = ( 0.2938424 0.2938424 0.5269082), wk = 0.0024876 k( 209) = ( 0.3022379 0.3022379 0.5276770), wk = 0.0024876 k( 210) = ( 0.3106334 0.3106334 0.5284458), wk = 0.0024876 k( 211) = ( 0.3190289 0.3190289 0.5292146), wk = 0.0024876 k( 212) = ( 0.3274244 0.3274244 0.5299834), wk = 0.0024876 k( 213) = ( 0.3358199 0.3358199 0.5307522), wk = 0.0024876 k( 214) = ( 0.3442154 0.3442154 0.5315210), wk = 0.0024876 k( 215) = ( 0.3526109 0.3526109 0.5322898), wk = 0.0024876 k( 216) = ( 0.3610064 0.3610064 0.5330586), wk = 0.0024876 k( 217) = ( 0.3694019 0.3694019 0.5338274), wk = 0.0024876 k( 218) = ( 0.3777974 0.3777974 0.5345962), wk = 0.0024876 k( 219) = ( 0.3861929 0.3861929 0.5353650), wk = 0.0024876 k( 220) = ( 0.3945884 0.3945884 0.5361338), wk = 0.0024876 k( 221) = ( 0.4029839 0.4029839 0.5369026), wk = 0.0024876 k( 222) = ( 0.4113794 0.4113794 0.5376714), wk = 0.0024876 k( 223) = ( 0.4197749 0.4197749 0.5384402), wk = 0.0024876 k( 224) = ( 0.4281704 0.4281704 0.5392090), wk = 0.0024876 k( 225) = ( 0.4365659 0.4365659 0.5399778), wk = 0.0024876 k( 226) = ( 0.4449614 0.4449614 0.5407466), wk = 0.0024876 k( 227) = ( 0.4533569 0.4533569 0.5415154), wk = 0.0024876 k( 228) = ( 0.4617524 0.4617524 0.5422842), wk = 0.0024876 k( 229) = ( 0.4701479 0.4701479 0.5430531), wk = 0.0024876 k( 230) = ( 0.4785434 0.4785434 0.5438219), wk = 0.0024876 k( 231) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 232) = ( 0.5060916 0.4939084 -0.0000000), wk = 0.0024876 k( 233) = ( 0.5121832 0.4878168 -0.0000000), wk = 0.0024876 k( 234) = ( 0.5182748 0.4817252 -0.0000000), wk = 0.0024876 k( 235) = ( 0.5243664 0.4756336 -0.0000000), wk = 0.0024876 k( 236) = ( 0.4756336 -0.4756336 0.0000000), wk = 0.0024876 k( 237) = ( 0.4677064 -0.4677064 -0.0000000), wk = 0.0024876 k( 238) = ( 0.4597792 -0.4597791 -0.0000000), wk = 0.0024876 k( 239) = ( 0.4518519 -0.4518519 0.0000000), wk = 0.0024876 k( 240) = ( 0.4439247 -0.4439247 0.0000000), wk = 0.0024876 k( 241) = ( 0.4359975 -0.4359975 -0.0000000), wk = 0.0024876 k( 242) = ( 0.4280702 -0.4280702 -0.0000000), wk = 0.0024876 k( 243) = ( 0.4201430 -0.4201430 0.0000000), wk = 0.0024876 k( 244) = ( 0.4122158 -0.4122158 -0.0000000), wk = 0.0024876 k( 245) = ( 0.4042886 -0.4042886 -0.0000000), wk = 0.0024876 k( 246) = ( 0.3963613 -0.3963613 -0.0000000), wk = 0.0024876 k( 247) = ( 0.3884341 -0.3884341 -0.0000000), wk = 0.0024876 k( 248) = ( 0.3805069 -0.3805069 -0.0000000), wk = 0.0024876 k( 249) = ( 0.3725797 -0.3725797 -0.0000000), wk = 0.0024876 k( 250) = ( 0.3646524 -0.3646524 0.0000000), wk = 0.0024876 k( 251) = ( 0.3567252 -0.3567252 0.0000000), wk = 0.0024876 k( 252) = ( 0.3487980 -0.3487980 -0.0000000), wk = 0.0024876 k( 253) = ( 0.3408708 -0.3408708 0.0000000), wk = 0.0024876 k( 254) = ( 0.3329435 -0.3329435 -0.0000000), wk = 0.0024876 k( 255) = ( 0.3250163 -0.3250163 0.0000000), wk = 0.0024876 k( 256) = ( 0.3170891 -0.3170891 0.0000000), wk = 0.0024876 k( 257) = ( 0.3091618 -0.3091618 0.0000000), wk = 0.0024876 k( 258) = ( 0.3012346 -0.3012346 0.0000000), wk = 0.0024876 k( 259) = ( 0.2933074 -0.2933074 0.0000000), wk = 0.0024876 k( 260) = ( 0.2853802 -0.2853802 -0.0000000), wk = 0.0024876 k( 261) = ( 0.2774529 -0.2774529 0.0000000), wk = 0.0024876 k( 262) = ( 0.2695257 -0.2695257 0.0000000), wk = 0.0024876 k( 263) = ( 0.2615985 -0.2615985 0.0000000), wk = 0.0024876 k( 264) = ( 0.2536713 -0.2536713 -0.0000000), wk = 0.0024876 k( 265) = ( 0.2457440 -0.2457440 0.0000000), wk = 0.0024876 k( 266) = ( 0.2378168 -0.2378168 0.0000000), wk = 0.0024876 k( 267) = ( 0.2298896 -0.2298896 0.0000000), wk = 0.0024876 k( 268) = ( 0.2219624 -0.2219623 0.0000000), wk = 0.0024876 k( 269) = ( 0.2140351 -0.2140351 -0.0000000), wk = 0.0024876 k( 270) = ( 0.2061079 -0.2061079 -0.0000000), wk = 0.0024876 k( 271) = ( 0.1981807 -0.1981807 -0.0000000), wk = 0.0024876 k( 272) = ( 0.1902534 -0.1902534 -0.0000000), wk = 0.0024876 k( 273) = ( 0.1823262 -0.1823262 -0.0000000), wk = 0.0024876 k( 274) = ( 0.1743990 -0.1743990 -0.0000000), wk = 0.0024876 k( 275) = ( 0.1664718 -0.1664718 -0.0000000), wk = 0.0024876 k( 276) = ( 0.1585445 -0.1585445 -0.0000000), wk = 0.0024876 k( 277) = ( 0.1506173 -0.1506173 0.0000000), wk = 0.0024876 k( 278) = ( 0.1426901 -0.1426901 -0.0000000), wk = 0.0024876 k( 279) = ( 0.1347628 -0.1347628 -0.0000000), wk = 0.0024876 k( 280) = ( 0.1268356 -0.1268356 -0.0000000), wk = 0.0024876 k( 281) = ( 0.1189084 -0.1189084 0.0000000), wk = 0.0024876 k( 282) = ( 0.1109812 -0.1109812 -0.0000000), wk = 0.0024876 k( 283) = ( 0.1030540 -0.1030539 0.0000000), wk = 0.0024876 k( 284) = ( 0.0951267 -0.0951267 -0.0000000), wk = 0.0024876 k( 285) = ( 0.0871995 -0.0871995 -0.0000000), wk = 0.0024876 k( 286) = ( 0.0792723 -0.0792723 -0.0000000), wk = 0.0024876 k( 287) = ( 0.0713450 -0.0713450 -0.0000000), wk = 0.0024876 k( 288) = ( 0.0634178 -0.0634178 -0.0000000), wk = 0.0024876 k( 289) = ( 0.0554906 -0.0554906 -0.0000000), wk = 0.0024876 k( 290) = ( 0.0475634 -0.0475634 -0.0000000), wk = 0.0024876 k( 291) = ( 0.0396361 -0.0396361 0.0000000), wk = 0.0024876 k( 292) = ( 0.0317089 -0.0317089 0.0000000), wk = 0.0024876 k( 293) = ( 0.0237817 -0.0237817 -0.0000000), wk = 0.0024876 k( 294) = ( 0.0158544 -0.0158544 0.0000000), wk = 0.0024876 k( 295) = ( 0.0079272 -0.0079272 -0.0000000), wk = 0.0024876 k( 296) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 297) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 298) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0024876 k( 299) = ( 0.0227273 0.0000000 -0.0000000), wk = 0.0024876 k( 300) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0024876 k( 301) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0024876 k( 302) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0024876 k( 303) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0024876 k( 304) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0024876 k( 305) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0024876 k( 306) = ( 0.1022727 0.0000000 -0.0000000), wk = 0.0024876 k( 307) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0024876 k( 308) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0024876 k( 309) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0024876 k( 310) = ( 0.1477273 -0.0000000 0.0000000), wk = 0.0024876 k( 311) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0024876 k( 312) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0024876 k( 313) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0024876 k( 314) = ( 0.1931818 -0.0000000 0.0000000), wk = 0.0024876 k( 315) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0024876 k( 316) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0024876 k( 317) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0024876 k( 318) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0024876 k( 319) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0024876 k( 320) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0024876 k( 321) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0024876 k( 322) = ( 0.2840909 -0.0000000 0.0000000), wk = 0.0024876 k( 323) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0024876 k( 324) = ( 0.3068182 -0.0000000 0.0000000), wk = 0.0024876 k( 325) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0024876 k( 326) = ( 0.3295455 0.0000000 -0.0000000), wk = 0.0024876 k( 327) = ( 0.3409091 0.0000000 -0.0000000), wk = 0.0024876 k( 328) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0024876 k( 329) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0024876 k( 330) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0024876 k( 331) = ( 0.3863636 -0.0000000 0.0000000), wk = 0.0024876 k( 332) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0024876 k( 333) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0024876 k( 334) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0024876 k( 335) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0024876 k( 336) = ( 0.4431818 0.0000000 -0.0000000), wk = 0.0024876 k( 337) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0024876 k( 338) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0024876 k( 339) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0024876 k( 340) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0024876 k( 341) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024876 k( 342) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024876 k( 343) = ( 0.4916667 0.0000000 0.4916667), wk = 0.0024876 k( 344) = ( 0.4833333 0.0000000 0.4833333), wk = 0.0024876 k( 345) = ( 0.4750000 -0.0000000 0.4750000), wk = 0.0024876 k( 346) = ( 0.4666667 -0.0000000 0.4666667), wk = 0.0024876 k( 347) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0024876 k( 348) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0024876 k( 349) = ( 0.4416667 0.0000000 0.4416667), wk = 0.0024876 k( 350) = ( 0.4333333 0.0000000 0.4333333), wk = 0.0024876 k( 351) = ( 0.4250000 -0.0000000 0.4250000), wk = 0.0024876 k( 352) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0024876 k( 353) = ( 0.4083333 0.0000000 0.4083333), wk = 0.0024876 k( 354) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0024876 k( 355) = ( 0.3916667 0.0000000 0.3916667), wk = 0.0024876 k( 356) = ( 0.3833333 0.0000000 0.3833333), wk = 0.0024876 k( 357) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0024876 k( 358) = ( 0.3666667 0.0000000 0.3666667), wk = 0.0024876 k( 359) = ( 0.3583333 0.0000000 0.3583333), wk = 0.0024876 k( 360) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0024876 k( 361) = ( 0.3416667 0.0000000 0.3416667), wk = 0.0024876 k( 362) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0024876 k( 363) = ( 0.3250000 0.0000000 0.3250000), wk = 0.0024876 k( 364) = ( 0.3166667 0.0000000 0.3166667), wk = 0.0024876 k( 365) = ( 0.3083333 -0.0000000 0.3083333), wk = 0.0024876 k( 366) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0024876 k( 367) = ( 0.2916667 0.0000000 0.2916667), wk = 0.0024876 k( 368) = ( 0.2833333 0.0000000 0.2833333), wk = 0.0024876 k( 369) = ( 0.2750000 0.0000000 0.2750000), wk = 0.0024876 k( 370) = ( 0.2666667 0.0000000 0.2666667), wk = 0.0024876 k( 371) = ( 0.2583333 0.0000000 0.2583333), wk = 0.0024876 k( 372) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0024876 k( 373) = ( 0.2416667 0.0000000 0.2416667), wk = 0.0024876 k( 374) = ( 0.2333333 -0.0000000 0.2333333), wk = 0.0024876 k( 375) = ( 0.2250000 0.0000000 0.2250000), wk = 0.0024876 k( 376) = ( 0.2166667 0.0000000 0.2166667), wk = 0.0024876 k( 377) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0024876 k( 378) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0024876 k( 379) = ( 0.1916667 0.0000000 0.1916667), wk = 0.0024876 k( 380) = ( 0.1833333 0.0000000 0.1833333), wk = 0.0024876 k( 381) = ( 0.1750000 0.0000000 0.1750000), wk = 0.0024876 k( 382) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0024876 k( 383) = ( 0.1583333 0.0000000 0.1583333), wk = 0.0024876 k( 384) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0024876 k( 385) = ( 0.1416667 0.0000000 0.1416667), wk = 0.0024876 k( 386) = ( 0.1333333 0.0000000 0.1333333), wk = 0.0024876 k( 387) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0024876 k( 388) = ( 0.1166667 0.0000000 0.1166667), wk = 0.0024876 k( 389) = ( 0.1083333 0.0000000 0.1083333), wk = 0.0024876 k( 390) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0024876 k( 391) = ( 0.0916667 0.0000000 0.0916667), wk = 0.0024876 k( 392) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0024876 k( 393) = ( 0.0750000 0.0000000 0.0750000), wk = 0.0024876 k( 394) = ( 0.0666667 0.0000000 0.0666667), wk = 0.0024876 k( 395) = ( 0.0583333 -0.0000000 0.0583333), wk = 0.0024876 k( 396) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0024876 k( 397) = ( 0.0416667 0.0000000 0.0416667), wk = 0.0024876 k( 398) = ( 0.0333333 0.0000000 0.0333333), wk = 0.0024876 k( 399) = ( 0.0250000 0.0000000 0.0250000), wk = 0.0024876 k( 400) = ( 0.0166667 0.0000000 0.0166667), wk = 0.0024876 k( 401) = ( 0.0083333 0.0000000 0.0083333), wk = 0.0024876 k( 402) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 Dense grid: 32883 G-vectors FFT dimensions: ( 40, 40, 45) Smooth grid: 12985 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 80, 40) NL pseudopotentials 0.07 Mb ( 40, 112) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.01 Mb ( 687) G-vector shells 0.00 Mb ( 630) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.20 Mb ( 80, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.14 Mb ( 112, 2, 40) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./BC2N.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.0 secs Computing kpt #: 2 total cpu time spent up to now is 39.8 secs Computing kpt #: 3 total cpu time spent up to now is 40.6 secs Computing kpt #: 4 total cpu time spent up to now is 41.4 secs Computing kpt #: 5 total cpu time spent up to now is 42.1 secs Computing kpt #: 6 total cpu time spent up to now is 42.8 secs Computing kpt #: 7 total cpu time spent up to now is 43.6 secs Computing kpt #: 8 total cpu time spent up to now is 44.4 secs Computing kpt #: 9 total cpu time spent up to now is 45.2 secs Computing kpt #: 10 total cpu time spent up to now is 46.1 secs Computing kpt #: 11 total cpu time spent up to now is 47.1 secs Computing kpt #: 12 total cpu time spent up to now is 48.2 secs Computing kpt #: 13 total cpu time spent up to now is 49.3 secs Computing kpt #: 14 total cpu time spent up to now is 50.2 secs Computing kpt #: 15 total cpu time spent up to now is 51.2 secs Computing kpt #: 16 total cpu time spent up to now is 52.1 secs Computing kpt #: 17 total cpu time spent up to now is 53.0 secs Computing kpt #: 18 total cpu time spent up to now is 53.9 secs Computing kpt #: 19 total cpu time spent up to now is 54.9 secs Computing kpt #: 20 total cpu time spent up to now is 55.8 secs Computing kpt #: 21 total cpu time spent up to now is 56.7 secs Computing kpt #: 22 total cpu time spent up to now is 57.6 secs Computing kpt #: 23 total cpu time spent up to now is 58.5 secs Computing kpt #: 24 total cpu time spent up to now is 59.4 secs Computing kpt #: 25 total cpu time spent up to now is 60.2 secs Computing kpt #: 26 total cpu time spent up to now is 61.1 secs Computing kpt #: 27 total cpu time spent up to now is 61.9 secs Computing kpt #: 28 total cpu time spent up to now is 62.7 secs Computing kpt #: 29 total cpu time spent up to now is 63.6 secs Computing kpt #: 30 total cpu time spent up to now is 64.4 secs Computing kpt #: 31 total cpu time spent up to now is 65.3 secs Computing kpt #: 32 total cpu time spent up to now is 66.1 secs Computing kpt #: 33 total cpu time spent up to now is 67.0 secs Computing kpt #: 34 total cpu time spent up to now is 67.8 secs Computing kpt #: 35 total cpu time spent up to now is 68.6 secs Computing kpt #: 36 total cpu time spent up to now is 69.6 secs Computing kpt #: 37 total cpu time spent up to now is 70.3 secs Computing kpt #: 38 total cpu time spent up to now is 71.1 secs Computing kpt #: 39 total cpu time spent up to now is 71.9 secs Computing kpt #: 40 total cpu time spent up to now is 72.7 secs Computing kpt #: 41 total cpu time spent up to now is 73.5 secs Computing kpt #: 42 total cpu time spent up to now is 74.2 secs Computing kpt #: 43 total cpu time spent up to now is 75.0 secs Computing kpt #: 44 total cpu time spent up to now is 75.8 secs Computing kpt #: 45 total cpu time spent up to now is 76.6 secs Computing kpt #: 46 total cpu time spent up to now is 77.4 secs Computing kpt #: 47 total cpu time spent up to now is 78.2 secs Computing kpt #: 48 total cpu time spent up to now is 78.9 secs Computing kpt #: 49 total cpu time spent up to now is 79.7 secs Computing kpt #: 50 total cpu time spent up to now is 80.4 secs Computing kpt #: 51 total cpu time spent up to now is 81.2 secs Computing kpt #: 52 total cpu time spent up to now is 81.9 secs Computing kpt #: 53 total cpu time spent up to now is 82.7 secs Computing kpt #: 54 total cpu time spent up to now is 83.4 secs Computing kpt #: 55 total cpu time spent up to now is 84.1 secs Computing kpt #: 56 total cpu time spent up to now is 84.9 secs Computing kpt #: 57 total cpu time spent up to now is 85.6 secs Computing kpt #: 58 total cpu time spent up to now is 86.3 secs Computing kpt #: 59 total cpu time spent up to now is 87.0 secs Computing kpt #: 60 total cpu time spent up to now is 87.8 secs Computing kpt #: 61 total cpu time spent up to now is 88.5 secs Computing kpt #: 62 total cpu time spent up to now is 89.2 secs Computing kpt #: 63 total cpu time spent up to now is 90.0 secs Computing kpt #: 64 total cpu time spent up to now is 90.7 secs Computing kpt #: 65 total cpu time spent up to now is 91.4 secs Computing kpt #: 66 total cpu time spent up to now is 92.1 secs Computing kpt #: 67 total cpu time spent up to now is 92.8 secs Computing kpt #: 68 total cpu time spent up to now is 93.6 secs Computing kpt #: 69 total cpu time spent up to now is 94.3 secs Computing kpt #: 70 total cpu time spent up to now is 95.0 secs Computing kpt #: 71 total cpu time spent up to now is 95.8 secs Computing kpt #: 72 total cpu time spent up to now is 96.5 secs Computing kpt #: 73 total cpu time spent up to now is 97.2 secs Computing kpt #: 74 total cpu time spent up to now is 97.9 secs Computing kpt #: 75 total cpu time spent up to now is 98.6 secs Computing kpt #: 76 total cpu time spent up to now is 99.3 secs Computing kpt #: 77 total cpu time spent up to now is 100.0 secs Computing kpt #: 78 total cpu time spent up to now is 100.7 secs Computing kpt #: 79 total cpu time spent up to now is 101.5 secs Computing kpt #: 80 total cpu time spent up to now is 102.3 secs Computing kpt #: 81 total cpu time spent up to now is 103.0 secs Computing kpt #: 82 total cpu time spent up to now is 103.8 secs Computing kpt #: 83 total cpu time spent up to now is 104.6 secs Computing kpt #: 84 total cpu time spent up to now is 105.4 secs Computing kpt #: 85 total cpu time spent up to now is 106.3 secs Computing kpt #: 86 total cpu time spent up to now is 107.2 secs Computing kpt #: 87 total cpu time spent up to now is 108.8 secs Computing kpt #: 88 total cpu time spent up to now is 109.6 secs Computing kpt #: 89 total cpu time spent up to now is 110.6 secs Computing kpt #: 90 total cpu time spent up to now is 111.6 secs Computing kpt #: 91 total cpu time spent up to now is 112.6 secs Computing kpt #: 92 total cpu time spent up to now is 113.7 secs Computing kpt #: 93 total cpu time spent up to now is 114.8 secs Computing kpt #: 94 total cpu time spent up to now is 115.9 secs Computing kpt #: 95 total cpu time spent up to now is 116.9 secs Computing kpt #: 96 total cpu time spent up to now is 117.8 secs Computing kpt #: 97 total cpu time spent up to now is 118.9 secs Computing kpt #: 98 total cpu time spent up to now is 119.9 secs Computing kpt #: 99 total cpu time spent up to now is 120.7 secs Computing kpt #: 100 total cpu time spent up to now is 121.7 secs Computing kpt #: 101 total cpu time spent up to now is 122.5 secs Computing kpt #: 102 total cpu time spent up to now is 123.5 secs Computing kpt #: 103 total cpu time spent up to now is 124.4 secs Computing kpt #: 104 total cpu time spent up to now is 125.3 secs Computing kpt #: 105 total cpu time spent up to now is 126.2 secs Computing kpt #: 106 total cpu time spent up to now is 127.1 secs Computing kpt #: 107 total cpu time spent up to now is 128.1 secs Computing kpt #: 108 total cpu time spent up to now is 129.0 secs Computing kpt #: 109 total cpu time spent up to now is 129.9 secs Computing kpt #: 110 total cpu time spent up to now is 130.9 secs Computing kpt #: 111 total cpu time spent up to now is 131.9 secs Computing kpt #: 112 total cpu time spent up to now is 132.9 secs Computing kpt #: 113 total cpu time spent up to now is 133.9 secs Computing kpt #: 114 total cpu time spent up to now is 134.9 secs Computing kpt #: 115 total cpu time spent up to now is 135.9 secs Computing kpt #: 116 total cpu time spent up to now is 136.8 secs Computing kpt #: 117 total cpu time spent up to now is 138.0 secs Computing kpt #: 118 total cpu time spent up to now is 139.0 secs Computing kpt #: 119 total cpu time spent up to now is 139.9 secs Computing kpt #: 120 total cpu time spent up to now is 140.9 secs Computing kpt #: 121 total cpu time spent up to now is 141.8 secs Computing kpt #: 122 total cpu time spent up to now is 142.6 secs Computing kpt #: 123 total cpu time spent up to now is 143.5 secs Computing kpt #: 124 total cpu time spent up to now is 144.3 secs Computing kpt #: 125 total cpu time spent up to now is 145.1 secs Computing kpt #: 126 total cpu time spent up to now is 145.9 secs Computing kpt #: 127 total cpu time spent up to now is 146.7 secs Computing kpt #: 128 total cpu time spent up to now is 147.6 secs Computing kpt #: 129 total cpu time spent up to now is 148.4 secs Computing kpt #: 130 total cpu time spent up to now is 149.4 secs Computing kpt #: 131 total cpu time spent up to now is 150.1 secs Computing kpt #: 132 total cpu time spent up to now is 150.9 secs Computing kpt #: 133 total cpu time spent up to now is 151.6 secs Computing kpt #: 134 total cpu time spent up to now is 152.4 secs Computing kpt #: 135 total cpu time spent up to now is 153.1 secs Computing kpt #: 136 total cpu time spent up to now is 153.8 secs Computing kpt #: 137 total cpu time spent up to now is 154.6 secs Computing kpt #: 138 total cpu time spent up to now is 155.4 secs Computing kpt #: 139 total cpu time spent up to now is 156.2 secs Computing kpt #: 140 total cpu time spent up to now is 156.9 secs Computing kpt #: 141 total cpu time spent up to now is 157.6 secs Computing kpt #: 142 total cpu time spent up to now is 158.4 secs Computing kpt #: 143 total cpu time spent up to now is 159.1 secs Computing kpt #: 144 total cpu time spent up to now is 159.9 secs Computing kpt #: 145 total cpu time spent up to now is 160.8 secs Computing kpt #: 146 total cpu time spent up to now is 161.7 secs Computing kpt #: 147 total cpu time spent up to now is 162.6 secs Computing kpt #: 148 total cpu time spent up to now is 163.5 secs Computing kpt #: 149 total cpu time spent up to now is 164.4 secs Computing kpt #: 150 total cpu time spent up to now is 165.4 secs Computing kpt #: 151 total cpu time spent up to now is 166.4 secs Computing kpt #: 152 total cpu time spent up to now is 167.5 secs Computing kpt #: 153 total cpu time spent up to now is 168.4 secs Computing kpt #: 154 total cpu time spent up to now is 169.5 secs Computing kpt #: 155 total cpu time spent up to now is 170.3 secs Computing kpt #: 156 total cpu time spent up to now is 171.2 secs Computing kpt #: 157 total cpu time spent up to now is 172.1 secs Computing kpt #: 158 total cpu time spent up to now is 173.0 secs Computing kpt #: 159 total cpu time spent up to now is 173.9 secs Computing kpt #: 160 total cpu time spent up to now is 175.2 secs Computing kpt #: 161 total cpu time spent up to now is 176.5 secs Computing kpt #: 162 total cpu time spent up to now is 177.8 secs Computing kpt #: 163 total cpu time spent up to now is 179.1 secs Computing kpt #: 164 total cpu time spent up to now is 180.3 secs Computing kpt #: 165 total cpu time spent up to now is 181.3 secs Computing kpt #: 166 total cpu time spent up to now is 182.2 secs Computing kpt #: 167 total cpu time spent up to now is 183.1 secs Computing kpt #: 168 total cpu time spent up to now is 184.1 secs Computing kpt #: 169 total cpu time spent up to now is 185.0 secs Computing kpt #: 170 total cpu time spent up to now is 185.9 secs Computing kpt #: 171 total cpu time spent up to now is 186.9 secs Computing kpt #: 172 total cpu time spent up to now is 187.7 secs Computing kpt #: 173 total cpu time spent up to now is 188.6 secs Computing kpt #: 174 total cpu time spent up to now is 189.6 secs Computing kpt #: 175 total cpu time spent up to now is 190.6 secs Computing kpt #: 176 total cpu time spent up to now is 191.6 secs Computing kpt #: 177 total cpu time spent up to now is 192.5 secs Computing kpt #: 178 total cpu time spent up to now is 193.5 secs Computing kpt #: 179 total cpu time spent up to now is 194.4 secs Computing kpt #: 180 total cpu time spent up to now is 195.5 secs Computing kpt #: 181 total cpu time spent up to now is 196.4 secs Computing kpt #: 182 total cpu time spent up to now is 197.4 secs Computing kpt #: 183 total cpu time spent up to now is 198.4 secs Computing kpt #: 184 total cpu time spent up to now is 199.3 secs Computing kpt #: 185 total cpu time spent up to now is 200.3 secs Computing kpt #: 186 total cpu time spent up to now is 201.2 secs Computing kpt #: 187 total cpu time spent up to now is 202.1 secs Computing kpt #: 188 total cpu time spent up to now is 203.0 secs Computing kpt #: 189 total cpu time spent up to now is 203.9 secs Computing kpt #: 190 total cpu time spent up to now is 204.8 secs Computing kpt #: 191 total cpu time spent up to now is 205.6 secs Computing kpt #: 192 total cpu time spent up to now is 206.4 secs Computing kpt #: 193 total cpu time spent up to now is 207.2 secs Computing kpt #: 194 total cpu time spent up to now is 208.0 secs Computing kpt #: 195 total cpu time spent up to now is 208.9 secs Computing kpt #: 196 total cpu time spent up to now is 209.6 secs Computing kpt #: 197 total cpu time spent up to now is 210.4 secs Computing kpt #: 198 total cpu time spent up to now is 211.2 secs Computing kpt #: 199 total cpu time spent up to now is 211.9 secs Computing kpt #: 200 total cpu time spent up to now is 212.7 secs Computing kpt #: 201 total cpu time spent up to now is 213.4 secs Computing kpt #: 202 total cpu time spent up to now is 214.3 secs Computing kpt #: 203 total cpu time spent up to now is 215.0 secs Computing kpt #: 204 total cpu time spent up to now is 215.8 secs Computing kpt #: 205 total cpu time spent up to now is 216.6 secs Computing kpt #: 206 total cpu time spent up to now is 217.4 secs Computing kpt #: 207 total cpu time spent up to now is 218.2 secs Computing kpt #: 208 total cpu time spent up to now is 219.0 secs Computing kpt #: 209 total cpu time spent up to now is 220.0 secs Computing kpt #: 210 total cpu time spent up to now is 220.9 secs Computing kpt #: 211 total cpu time spent up to now is 221.8 secs Computing kpt #: 212 total cpu time spent up to now is 222.7 secs Computing kpt #: 213 total cpu time spent up to now is 223.6 secs Computing kpt #: 214 total cpu time spent up to now is 224.5 secs Computing kpt #: 215 total cpu time spent up to now is 225.4 secs Computing kpt #: 216 total cpu time spent up to now is 226.4 secs Computing kpt #: 217 total cpu time spent up to now is 227.3 secs Computing kpt #: 218 total cpu time spent up to now is 228.1 secs Computing kpt #: 219 total cpu time spent up to now is 229.0 secs Computing kpt #: 220 total cpu time spent up to now is 229.8 secs Computing kpt #: 221 total cpu time spent up to now is 230.7 secs Computing kpt #: 222 total cpu time spent up to now is 231.6 secs Computing kpt #: 223 total cpu time spent up to now is 232.5 secs Computing kpt #: 224 total cpu time spent up to now is 233.3 secs Computing kpt #: 225 total cpu time spent up to now is 234.2 secs Computing kpt #: 226 total cpu time spent up to now is 235.1 secs Computing kpt #: 227 total cpu time spent up to now is 235.9 secs Computing kpt #: 228 total cpu time spent up to now is 236.8 secs Computing kpt #: 229 total cpu time spent up to now is 237.6 secs Computing kpt #: 230 total cpu time spent up to now is 238.5 secs Computing kpt #: 231 total cpu time spent up to now is 239.2 secs Computing kpt #: 232 total cpu time spent up to now is 239.9 secs Computing kpt #: 233 total cpu time spent up to now is 240.7 secs Computing kpt #: 234 total cpu time spent up to now is 241.4 secs Computing kpt #: 235 total cpu time spent up to now is 242.1 secs Computing kpt #: 236 total cpu time spent up to now is 242.8 secs Computing kpt #: 237 total cpu time spent up to now is 243.5 secs Computing kpt #: 238 total cpu time spent up to now is 244.3 secs Computing kpt #: 239 total cpu time spent up to now is 245.1 secs Computing kpt #: 240 total cpu time spent up to now is 245.8 secs Computing kpt #: 241 total cpu time spent up to now is 246.6 secs Computing kpt #: 242 total cpu time spent up to now is 247.3 secs Computing kpt #: 243 total cpu time spent up to now is 248.1 secs Computing kpt #: 244 total cpu time spent up to now is 248.8 secs Computing kpt #: 245 total cpu time spent up to now is 249.6 secs Computing kpt #: 246 total cpu time spent up to now is 250.5 secs Computing kpt #: 247 total cpu time spent up to now is 251.2 secs Computing kpt #: 248 total cpu time spent up to now is 251.9 secs Computing kpt #: 249 total cpu time spent up to now is 252.6 secs Computing kpt #: 250 total cpu time spent up to now is 253.3 secs Computing kpt #: 251 total cpu time spent up to now is 254.0 secs Computing kpt #: 252 total cpu time spent up to now is 254.7 secs Computing kpt #: 253 total cpu time spent up to now is 255.6 secs Computing kpt #: 254 total cpu time spent up to now is 256.4 secs Computing kpt #: 255 total cpu time spent up to now is 257.1 secs Computing kpt #: 256 total cpu time spent up to now is 257.9 secs Computing kpt #: 257 total cpu time spent up to now is 258.7 secs Computing kpt #: 258 total cpu time spent up to now is 259.5 secs Computing kpt #: 259 total cpu time spent up to now is 260.3 secs Computing kpt #: 260 total cpu time spent up to now is 261.2 secs Computing kpt #: 261 total cpu time spent up to now is 262.1 secs Computing kpt #: 262 total cpu time spent up to now is 263.1 secs Computing kpt #: 263 total cpu time spent up to now is 264.0 secs Computing kpt #: 264 total cpu time spent up to now is 265.0 secs Computing kpt #: 265 total cpu time spent up to now is 265.9 secs Computing kpt #: 266 total cpu time spent up to now is 266.9 secs Computing kpt #: 267 total cpu time spent up to now is 267.9 secs Computing kpt #: 268 total cpu time spent up to now is 268.7 secs Computing kpt #: 269 total cpu time spent up to now is 269.6 secs Computing kpt #: 270 total cpu time spent up to now is 270.4 secs Computing kpt #: 271 total cpu time spent up to now is 271.2 secs Computing kpt #: 272 total cpu time spent up to now is 272.0 secs Computing kpt #: 273 total cpu time spent up to now is 272.8 secs Computing kpt #: 274 total cpu time spent up to now is 273.6 secs Computing kpt #: 275 total cpu time spent up to now is 274.4 secs Computing kpt #: 276 total cpu time spent up to now is 275.1 secs Computing kpt #: 277 total cpu time spent up to now is 275.8 secs Computing kpt #: 278 total cpu time spent up to now is 276.5 secs Computing kpt #: 279 total cpu time spent up to now is 277.2 secs Computing kpt #: 280 total cpu time spent up to now is 277.9 secs Computing kpt #: 281 total cpu time spent up to now is 278.5 secs Computing kpt #: 282 total cpu time spent up to now is 279.2 secs Computing kpt #: 283 total cpu time spent up to now is 279.9 secs Computing kpt #: 284 total cpu time spent up to now is 280.6 secs Computing kpt #: 285 total cpu time spent up to now is 281.3 secs Computing kpt #: 286 total cpu time spent up to now is 282.0 secs Computing kpt #: 287 total cpu time spent up to now is 282.7 secs Computing kpt #: 288 total cpu time spent up to now is 283.4 secs Computing kpt #: 289 total cpu time spent up to now is 284.1 secs Computing kpt #: 290 total cpu time spent up to now is 284.8 secs Computing kpt #: 291 total cpu time spent up to now is 285.6 secs Computing kpt #: 292 total cpu time spent up to now is 286.3 secs Computing kpt #: 293 total cpu time spent up to now is 287.0 secs Computing kpt #: 294 total cpu time spent up to now is 287.8 secs Computing kpt #: 295 total cpu time spent up to now is 288.5 secs Computing kpt #: 296 total cpu time spent up to now is 289.2 secs Computing kpt #: 297 total cpu time spent up to now is 289.9 secs Computing kpt #: 298 total cpu time spent up to now is 290.7 secs Computing kpt #: 299 total cpu time spent up to now is 291.5 secs Computing kpt #: 300 total cpu time spent up to now is 292.2 secs Computing kpt #: 301 total cpu time spent up to now is 293.0 secs Computing kpt #: 302 total cpu time spent up to now is 293.8 secs Computing kpt #: 303 total cpu time spent up to now is 294.4 secs Computing kpt #: 304 total cpu time spent up to now is 295.1 secs Computing kpt #: 305 total cpu time spent up to now is 295.8 secs Computing kpt #: 306 total cpu time spent up to now is 296.5 secs Computing kpt #: 307 total cpu time spent up to now is 297.2 secs Computing kpt #: 308 total cpu time spent up to now is 297.9 secs Computing kpt #: 309 total cpu time spent up to now is 298.7 secs Computing kpt #: 310 total cpu time spent up to now is 299.4 secs Computing kpt #: 311 total cpu time spent up to now is 300.1 secs Computing kpt #: 312 total cpu time spent up to now is 300.9 secs Computing kpt #: 313 total cpu time spent up to now is 301.6 secs Computing kpt #: 314 total cpu time spent up to now is 302.6 secs Computing kpt #: 315 total cpu time spent up to now is 303.3 secs Computing kpt #: 316 total cpu time spent up to now is 304.0 secs Computing kpt #: 317 total cpu time spent up to now is 304.9 secs Computing kpt #: 318 total cpu time spent up to now is 305.7 secs Computing kpt #: 319 total cpu time spent up to now is 306.5 secs Computing kpt #: 320 total cpu time spent up to now is 307.3 secs Computing kpt #: 321 total cpu time spent up to now is 308.2 secs Computing kpt #: 322 total cpu time spent up to now is 309.0 secs Computing kpt #: 323 total cpu time spent up to now is 309.8 secs Computing kpt #: 324 total cpu time spent up to now is 310.7 secs Computing kpt #: 325 total cpu time spent up to now is 311.5 secs Computing kpt #: 326 total cpu time spent up to now is 312.4 secs Computing kpt #: 327 total cpu time spent up to now is 313.2 secs Computing kpt #: 328 total cpu time spent up to now is 314.0 secs Computing kpt #: 329 total cpu time spent up to now is 314.8 secs Computing kpt #: 330 total cpu time spent up to now is 315.6 secs Computing kpt #: 331 total cpu time spent up to now is 316.4 secs Computing kpt #: 332 total cpu time spent up to now is 317.2 secs Computing kpt #: 333 total cpu time spent up to now is 317.9 secs Computing kpt #: 334 total cpu time spent up to now is 318.7 secs Computing kpt #: 335 total cpu time spent up to now is 319.5 secs Computing kpt #: 336 total cpu time spent up to now is 320.2 secs Computing kpt #: 337 total cpu time spent up to now is 320.9 secs Computing kpt #: 338 total cpu time spent up to now is 321.7 secs Computing kpt #: 339 total cpu time spent up to now is 322.4 secs Computing kpt #: 340 total cpu time spent up to now is 323.1 secs Computing kpt #: 341 total cpu time spent up to now is 323.9 secs Computing kpt #: 342 total cpu time spent up to now is 324.6 secs Computing kpt #: 343 total cpu time spent up to now is 325.5 secs Computing kpt #: 344 total cpu time spent up to now is 326.3 secs Computing kpt #: 345 total cpu time spent up to now is 327.2 secs Computing kpt #: 346 total cpu time spent up to now is 328.1 secs Computing kpt #: 347 total cpu time spent up to now is 329.0 secs Computing kpt #: 348 total cpu time spent up to now is 329.8 secs Computing kpt #: 349 total cpu time spent up to now is 330.7 secs Computing kpt #: 350 total cpu time spent up to now is 331.6 secs Computing kpt #: 351 total cpu time spent up to now is 332.4 secs Computing kpt #: 352 total cpu time spent up to now is 333.2 secs Computing kpt #: 353 total cpu time spent up to now is 334.0 secs Computing kpt #: 354 total cpu time spent up to now is 334.8 secs Computing kpt #: 355 total cpu time spent up to now is 335.6 secs Computing kpt #: 356 total cpu time spent up to now is 336.5 secs Computing kpt #: 357 total cpu time spent up to now is 337.3 secs Computing kpt #: 358 total cpu time spent up to now is 338.1 secs Computing kpt #: 359 total cpu time spent up to now is 339.0 secs Computing kpt #: 360 total cpu time spent up to now is 339.8 secs Computing kpt #: 361 total cpu time spent up to now is 340.8 secs Computing kpt #: 362 total cpu time spent up to now is 341.7 secs Computing kpt #: 363 total cpu time spent up to now is 342.5 secs Computing kpt #: 364 total cpu time spent up to now is 343.4 secs Computing kpt #: 365 total cpu time spent up to now is 344.3 secs Computing kpt #: 366 total cpu time spent up to now is 345.2 secs Computing kpt #: 367 total cpu time spent up to now is 346.8 secs Computing kpt #: 368 total cpu time spent up to now is 347.7 secs Computing kpt #: 369 total cpu time spent up to now is 348.7 secs Computing kpt #: 370 total cpu time spent up to now is 349.8 secs Computing kpt #: 371 total cpu time spent up to now is 350.9 secs Computing kpt #: 372 total cpu time spent up to now is 351.8 secs Computing kpt #: 373 total cpu time spent up to now is 352.7 secs Computing kpt #: 374 total cpu time spent up to now is 353.6 secs Computing kpt #: 375 total cpu time spent up to now is 354.5 secs Computing kpt #: 376 total cpu time spent up to now is 355.7 secs Computing kpt #: 377 total cpu time spent up to now is 356.8 secs Computing kpt #: 378 total cpu time spent up to now is 357.8 secs Computing kpt #: 379 total cpu time spent up to now is 358.8 secs Computing kpt #: 380 total cpu time spent up to now is 359.8 secs Computing kpt #: 381 total cpu time spent up to now is 360.7 secs Computing kpt #: 382 total cpu time spent up to now is 361.7 secs Computing kpt #: 383 total cpu time spent up to now is 362.6 secs Computing kpt #: 384 total cpu time spent up to now is 363.6 secs Computing kpt #: 385 total cpu time spent up to now is 364.5 secs Computing kpt #: 386 total cpu time spent up to now is 365.5 secs Computing kpt #: 387 total cpu time spent up to now is 366.5 secs Computing kpt #: 388 total cpu time spent up to now is 367.3 secs Computing kpt #: 389 total cpu time spent up to now is 368.2 secs Computing kpt #: 390 total cpu time spent up to now is 369.1 secs Computing kpt #: 391 total cpu time spent up to now is 370.0 secs Computing kpt #: 392 total cpu time spent up to now is 370.8 secs Computing kpt #: 393 total cpu time spent up to now is 371.7 secs Computing kpt #: 394 total cpu time spent up to now is 372.4 secs Computing kpt #: 395 total cpu time spent up to now is 373.2 secs Computing kpt #: 396 total cpu time spent up to now is 374.0 secs Computing kpt #: 397 total cpu time spent up to now is 374.7 secs Computing kpt #: 398 total cpu time spent up to now is 375.3 secs Computing kpt #: 399 total cpu time spent up to now is 376.0 secs Computing kpt #: 400 total cpu time spent up to now is 376.8 secs Computing kpt #: 401 total cpu time spent up to now is 377.6 secs Computing kpt #: 402 total cpu time spent up to now is 378.3 secs ethr = 3.13E-11, avg # of iterations = 34.9 total cpu time spent up to now is 378.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1637 PWs) bands (ev): -10.0819 -10.0819 -4.6525 -4.6525 -2.4790 -2.4790 -0.4216 -0.4216 -0.3365 -0.3365 0.7597 0.7597 2.8311 2.8311 3.7772 3.7772 5.2588 5.2588 5.8156 5.8156 5.8819 5.8819 6.7149 6.7149 7.8404 7.8404 11.5949 11.5949 11.8817 11.8817 11.8892 11.8892 12.3532 12.3532 15.0587 15.0587 15.8850 15.8850 16.1713 16.1713 k = 0.0083 0.0079-0.0008 ( 1635 PWs) bands (ev): -10.0809 -10.0809 -4.6557 -4.6557 -2.4769 -2.4769 -0.4249 -0.4249 -0.3341 -0.3341 0.7608 0.7609 2.8348 2.8348 3.7756 3.7757 5.2558 5.2558 5.8160 5.8160 5.8795 5.8796 6.7157 6.7157 7.8399 7.8399 11.5837 11.5845 11.8830 11.8853 11.8886 11.8896 12.3520 12.3524 15.0620 15.0620 15.8900 15.8900 16.1771 16.1773 k = 0.0167 0.0158-0.0015 ( 1637 PWs) bands (ev): -10.0782 -10.0782 -4.6654 -4.6654 -2.4707 -2.4707 -0.4347 -0.4347 -0.3271 -0.3270 0.7643 0.7645 2.8458 2.8459 3.7710 3.7711 5.2469 5.2469 5.8172 5.8172 5.8725 5.8726 6.7179 6.7179 7.8385 7.8386 11.5529 11.5544 11.8836 11.8853 11.8929 11.8935 12.3498 12.3506 15.0721 15.0721 15.9052 15.9052 16.1945 16.1947 k = 0.0250 0.0237-0.0023 ( 1637 PWs) bands (ev): -10.0736 -10.0736 -4.6814 -4.6814 -2.4605 -2.4605 -0.4509 -0.4509 -0.3153 -0.3152 0.7701 0.7704 2.8639 2.8640 3.7632 3.7635 5.2320 5.2321 5.8192 5.8192 5.8611 5.8612 6.7216 6.7216 7.8362 7.8363 11.5065 11.5083 11.8803 11.8815 11.8961 11.8981 12.3493 12.3504 15.0888 15.0888 15.9303 15.9304 16.2231 16.2234 k = 0.0333 0.0316-0.0030 ( 1634 PWs) bands (ev): -10.0671 -10.0671 -4.7033 -4.7033 -2.4466 -2.4466 -0.4732 -0.4731 -0.2989 -0.2987 0.7783 0.7786 2.8889 2.8891 3.7523 3.7526 5.2113 5.2113 5.8220 5.8220 5.8458 5.8460 6.7268 6.7269 7.8331 7.8332 11.4475 11.4495 11.8749 11.8762 11.8912 11.8937 12.3542 12.3556 15.1120 15.1120 15.9650 15.9652 16.2623 16.2626 k = 0.0417 0.0395-0.0038 ( 1634 PWs) bands (ev): -10.0589 -10.0589 -4.7308 -4.7308 -2.4296 -2.4296 -0.5012 -0.5011 -0.2779 -0.2777 0.7887 0.7891 2.9203 2.9205 3.7382 3.7386 5.1848 5.1848 5.8253 5.8255 5.8272 5.8276 6.7337 6.7338 7.8293 7.8294 11.3780 11.3801 11.8655 11.8692 11.8752 11.8756 12.3682 12.3698 15.1417 15.1418 16.0091 16.0094 16.3115 16.3119 k = 0.0500 0.0474-0.0045 ( 1635 PWs) bands (ev): -10.0488 -10.0488 -4.7634 -4.7633 -2.4098 -2.4097 -0.5345 -0.5344 -0.2525 -0.2523 0.8015 0.8020 2.9576 2.9578 3.7207 3.7212 5.1528 5.1528 5.8057 5.8060 5.8296 5.8297 6.7423 6.7423 7.8248 7.8250 11.2992 11.3012 11.8361 11.8410 11.8613 11.8621 12.3930 12.3946 15.1778 15.1779 16.0621 16.0625 16.3698 16.3702 k = 0.0583 0.0553-0.0053 ( 1632 PWs) bands (ev): -10.0369 -10.0369 -4.8005 -4.8005 -2.3877 -2.3876 -0.5727 -0.5726 -0.2227 -0.2224 0.8166 0.8172 3.0003 3.0005 3.6997 3.7003 5.1155 5.1156 5.7821 5.7825 5.8343 5.8343 6.7526 6.7527 7.8199 7.8200 11.2118 11.2138 11.7871 11.7915 11.8515 11.8518 12.4283 12.4298 15.2202 15.2203 16.1234 16.1239 16.4364 16.4368 k = 0.0667 0.0632-0.0060 ( 1630 PWs) bands (ev): -10.0232 -10.0232 -4.8418 -4.8417 -2.3639 -2.3638 -0.6152 -0.6151 -0.1887 -0.1884 0.8340 0.8347 3.0476 3.0479 3.6752 3.6758 5.0737 5.0738 5.7569 5.7574 5.8395 5.8395 6.7648 6.7649 7.8146 7.8148 11.1165 11.1184 11.7243 11.7283 11.8403 11.8404 12.4725 12.4739 15.2687 15.2689 16.1925 16.1931 16.5104 16.5108 k = 0.0750 0.0711-0.0068 ( 1624 PWs) bands (ev): -10.0077 -10.0076 -4.8865 -4.8865 -2.3388 -2.3388 -0.6617 -0.6616 -0.1507 -0.1504 0.8537 0.8545 3.0992 3.0995 3.6468 3.6474 5.0279 5.0280 5.7305 5.7311 5.8451 5.8451 6.7790 6.7792 7.8092 7.8094 11.0139 11.0158 11.6501 11.6539 11.8276 11.8277 12.5239 12.5251 15.3233 15.3235 16.2686 16.2694 16.5909 16.5912 k = 0.0833 0.0790-0.0076 ( 1628 PWs) bands (ev): -9.9904 -9.9904 -4.9344 -4.9343 -2.3131 -2.3130 -0.7115 -0.7114 -0.1089 -0.1086 0.8756 0.8765 3.1542 3.1545 3.6144 3.6151 4.9791 4.9793 5.7033 5.7039 5.8509 5.8510 6.7954 6.7955 7.8039 7.8042 10.9045 10.9063 11.5663 11.5699 11.8135 11.8135 12.5808 12.5819 15.3836 15.3839 16.3509 16.3519 16.6772 16.6774 k = 0.0917 0.0869-0.0083 ( 1628 PWs) bands (ev): -9.9714 -9.9713 -4.9847 -4.9847 -2.2870 -2.2870 -0.7643 -0.7641 -0.0636 -0.0632 0.8997 0.9007 3.2120 3.2123 3.5779 3.5786 4.9283 4.9287 5.6755 5.6762 5.8569 5.8570 6.8139 6.8140 7.7990 7.7993 10.7890 10.7907 11.4747 11.4780 11.7979 11.7980 12.6421 12.6431 15.4495 15.4498 16.4388 16.4400 16.7684 16.7686 k = 0.1000 0.0948-0.0091 ( 1629 PWs) bands (ev): -9.9506 -9.9506 -5.0373 -5.0372 -2.2612 -2.2611 -0.8195 -0.8194 -0.0150 -0.0146 0.9260 0.9271 3.2721 3.2724 3.5371 3.5378 4.8767 4.8771 5.6472 5.6481 5.8630 5.8631 6.8347 6.8348 7.7947 7.7951 10.6680 10.6696 11.3762 11.3793 11.7810 11.7810 12.7069 12.7078 15.5205 15.5208 16.5312 16.5326 16.8400 16.8403 k = 0.1083 0.1027-0.0098 ( 1629 PWs) bands (ev): -9.9281 -9.9281 -5.0915 -5.0914 -2.2358 -2.2358 -0.8768 -0.8767 0.0365 0.0370 0.9544 0.9556 3.3338 3.3342 3.4919 3.4927 4.8253 4.8259 5.6187 5.6196 5.8690 5.8691 6.8578 6.8579 7.7915 7.7919 10.5421 10.5436 11.2719 11.2749 11.7627 11.7628 12.7745 12.7753 15.5963 15.5966 16.6273 16.6288 16.9053 16.9055 k = 0.1167 0.1106-0.0106 ( 1629 PWs) bands (ev): -9.9039 -9.9039 -5.1470 -5.1470 -2.2114 -2.2113 -0.9359 -0.9357 0.0907 0.0912 0.9848 0.9861 3.3966 3.3969 3.4424 3.4432 4.7753 4.7760 5.5898 5.5908 5.8748 5.8749 6.8832 6.8833 7.7897 7.7901 10.4119 10.4133 11.1626 11.1654 11.7431 11.7431 12.8443 12.8450 15.6763 15.6767 16.7257 16.7275 16.9747 16.9750 k = 0.1250 0.1185-0.0113 ( 1629 PWs) bands (ev): -9.8781 -9.8780 -5.2036 -5.2035 -2.1881 -2.1880 -0.9962 -0.9961 0.1472 0.1477 1.0170 1.0184 3.3884 3.3893 3.4600 3.4605 4.7277 4.7285 5.5607 5.5618 5.8803 5.8804 6.9110 6.9111 7.7897 7.7902 10.2779 10.2792 11.0488 11.0514 11.7221 11.7222 12.9159 12.9167 15.7600 15.7605 16.8256 16.8274 17.0481 17.0485 k = 0.1333 0.1264-0.0121 ( 1627 PWs) bands (ev): -9.8506 -9.8506 -5.2608 -5.2607 -2.1663 -2.1662 -1.0576 -1.0575 0.2055 0.2061 1.0509 1.0525 3.3308 3.3317 3.5234 3.5239 4.6834 4.6844 5.5314 5.5326 5.8853 5.8854 6.9409 6.9410 7.7921 7.7927 10.1407 10.1420 10.9309 10.9334 11.6998 11.6999 12.9892 12.9899 15.8469 15.8473 16.9255 16.9276 17.1253 17.1257 k = 0.1417 0.1343-0.0128 ( 1631 PWs) bands (ev): -9.8215 -9.8215 -5.3184 -5.3183 -2.1462 -2.1461 -1.1197 -1.1196 0.2654 0.2660 1.0862 1.0879 3.2696 3.2705 3.5864 3.5868 4.6432 4.6443 5.5020 5.5033 5.8898 5.8899 6.9728 6.9728 7.7975 7.7981 10.0007 10.0019 10.8096 10.8119 11.6762 11.6762 13.0638 13.0644 15.9361 15.9366 17.0245 17.0267 17.2060 17.2064 k = 0.1500 0.1422-0.0136 ( 1625 PWs) bands (ev): -9.7908 -9.7908 -5.3761 -5.3761 -2.1282 -2.1280 -1.1822 -1.1821 0.3266 0.3272 1.1227 1.1246 3.2056 3.2065 3.6485 3.6489 4.6075 4.6088 5.4724 5.4739 5.8936 5.8937 7.0063 7.0063 7.8065 7.8072 9.8586 9.8596 10.6851 10.6873 11.6513 11.6514 13.1396 13.1402 16.0272 16.0277 17.1217 17.1239 17.2899 17.2903 k = 0.1583 0.1501-0.0143 ( 1619 PWs) bands (ev): -9.7586 -9.7586 -5.4338 -5.4337 -2.1123 -2.1121 -1.2450 -1.2449 0.3885 0.3891 1.1601 1.1621 3.1396 3.1406 3.7093 3.7098 4.5769 4.5784 5.4429 5.4444 5.8967 5.8968 7.0410 7.0411 7.8199 7.8206 9.7145 9.7155 10.5579 10.5600 11.6252 11.6252 13.2164 13.2171 16.1194 16.1199 17.2162 17.2186 17.3767 17.3771 k = 0.1667 0.1580-0.0151 ( 1618 PWs) bands (ev): -9.7249 -9.7249 -5.4911 -5.4910 -2.0990 -2.0987 -1.3078 -1.3077 0.4509 0.4516 1.1979 1.2001 3.0727 3.0737 3.7686 3.7690 4.5515 4.5531 5.4134 5.4151 5.8988 5.8990 7.0765 7.0766 7.8384 7.8392 9.5691 9.5700 10.4281 10.4301 11.5978 11.5978 13.2941 13.2947 16.2119 16.2124 17.3077 17.3101 17.4661 17.4666 k = 0.1750 0.1659-0.0159 ( 1617 PWs) bands (ev): -9.6897 -9.6897 -5.5479 -5.5478 -2.0883 -2.0880 -1.3704 -1.3703 0.5135 0.5142 1.2355 1.2379 3.0058 3.0069 3.8259 3.8264 4.5315 4.5333 5.3842 5.3859 5.9001 5.9003 7.1122 7.1123 7.8629 7.8638 9.4225 9.4234 10.2962 10.2981 11.5692 11.5692 13.3725 13.3731 16.3041 16.3046 17.3960 17.3983 17.5578 17.5583 k = 0.1833 0.1738-0.0166 ( 1617 PWs) bands (ev): -9.6532 -9.6532 -5.6040 -5.6039 -2.0805 -2.0802 -1.4327 -1.4325 0.5759 0.5766 1.2723 1.2749 2.9403 2.9415 3.8811 3.8815 4.5170 4.5189 5.3553 5.3572 5.9005 5.9006 7.1474 7.1476 7.8942 7.8951 9.2752 9.2760 10.1624 10.1641 11.5393 11.5394 13.4517 13.4523 16.3954 16.3960 17.4810 17.4834 17.6513 17.6519 k = 0.1917 0.1817-0.0174 ( 1619 PWs) bands (ev): -9.6153 -9.6153 -5.6593 -5.6592 -2.0759 -2.0756 -1.4944 -1.4943 0.6379 0.6386 1.3078 1.3105 2.8776 2.8788 3.9338 3.9343 4.5078 4.5099 5.3271 5.3291 5.8997 5.8999 7.1818 7.1820 7.9328 7.9338 9.1275 9.1282 10.0268 10.0285 11.5083 11.5083 13.5313 13.5319 16.4851 16.4857 17.5630 17.5652 17.7464 17.7470 k = 0.2000 0.1896-0.0181 ( 1615 PWs) bands (ev): -9.5761 -9.5761 -5.7135 -5.7135 -2.0747 -2.0743 -1.5555 -1.5554 0.6993 0.7000 1.3410 1.3439 2.8191 2.8203 3.9840 3.9845 4.5038 4.5061 5.2998 5.3018 5.8980 5.8982 7.2148 7.2150 7.9794 7.9804 8.9797 8.9804 9.8899 9.8914 11.4762 11.4762 13.6114 13.6120 16.5727 16.5732 17.6419 17.6442 17.8427 17.8433 k = 0.2083 0.1975-0.0189 ( 1617 PWs) bands (ev): -9.5357 -9.5357 -5.7666 -5.7666 -2.0771 -2.0767 -1.6159 -1.6158 0.7597 0.7605 1.3712 1.3743 2.7660 2.7673 4.0315 4.0320 4.5048 4.5072 5.2736 5.2758 5.8952 5.8954 7.2463 7.2465 8.0340 8.0351 8.8321 8.8327 9.7516 9.7531 11.4428 11.4429 13.6917 13.6923 16.6575 16.6580 17.7181 17.7203 17.9395 17.9402 k = 0.2167 0.2054-0.0196 ( 1617 PWs) bands (ev): -9.4941 -9.4941 -5.8185 -5.8184 -2.0834 -2.0830 -1.6753 -1.6752 0.8191 0.8199 1.3976 1.4009 2.7197 2.7211 4.0763 4.0767 4.5104 4.5130 5.2492 5.2514 5.8913 5.8915 7.2762 7.2765 8.0968 8.0979 8.6849 8.6854 9.6124 9.6138 11.4084 11.4084 13.7721 13.7728 16.7390 16.7396 17.7917 17.7938 18.0365 18.0372 k = 0.2250 0.2133-0.0204 ( 1613 PWs) bands (ev): -9.4515 -9.4515 -5.8689 -5.8689 -2.0937 -2.0933 -1.7337 -1.7336 0.8771 0.8779 1.4197 1.4230 2.6814 2.6829 4.1182 4.1186 4.5202 4.5229 5.2269 5.2293 5.8864 5.8866 7.3048 7.3050 8.1675 8.1686 8.5384 8.5388 9.4724 9.4736 11.3729 11.3730 13.8525 13.8531 16.8169 16.8174 17.8627 17.8647 18.1332 18.1340 k = 0.2333 0.2212-0.0211 ( 1612 PWs) bands (ev): -9.4079 -9.4078 -5.9178 -5.9178 -2.1083 -2.1078 -1.7911 -1.7909 0.9335 0.9343 1.4369 1.4404 2.6520 2.6536 4.1573 4.1577 4.5334 4.5363 5.2075 5.2099 5.8804 5.8806 7.3323 7.3325 8.2456 8.2467 8.3928 8.3932 9.3317 9.3329 11.3364 11.3364 13.9324 13.9330 16.8906 16.8910 17.9311 17.9330 18.2292 18.2299 k = 0.2417 0.2291-0.0219 ( 1611 PWs) bands (ev): -9.3634 -9.3633 -5.9651 -5.9651 -2.1273 -2.1268 -1.8472 -1.8471 0.9880 0.9889 1.4495 1.4531 2.6322 2.6338 4.1936 4.1940 4.5492 4.5522 5.1918 5.1944 5.8734 5.8737 7.3590 7.3592 8.2483 8.2487 8.3306 8.3317 9.1905 9.1916 11.2989 11.2989 14.0117 14.0123 16.9596 16.9601 17.9970 17.9988 18.3239 18.3247 k = 0.2500 0.2370-0.0227 ( 1615 PWs) bands (ev): -9.3180 -9.3180 -6.0107 -6.0106 -2.1509 -2.1504 -1.9021 -1.9020 1.0402 1.0410 1.4578 1.4615 2.6219 2.6236 4.2272 4.2275 4.5665 4.5695 5.1810 5.1836 5.8655 5.8657 7.3854 7.3856 8.1054 8.1057 8.4218 8.4229 9.0491 9.0501 11.2604 11.2604 14.0899 14.0906 17.0238 17.0242 18.0601 18.0619 18.4169 18.4177 k = 0.2583 0.2449-0.0234 ( 1615 PWs) bands (ev): -9.2720 -9.2720 -6.0544 -6.0543 -2.1792 -2.1787 -1.9557 -1.9556 1.0896 1.0904 1.4630 1.4667 2.6211 2.6227 4.2581 4.2584 4.5837 4.5868 5.1763 5.1789 5.8567 5.8569 7.4117 7.4119 7.9641 7.9644 8.5187 8.5197 8.9075 8.9085 11.2211 11.2211 14.1668 14.1674 17.0827 17.0830 18.1205 18.1221 18.5078 18.5086 k = 0.2667 0.2528-0.0242 ( 1615 PWs) bands (ev): -9.2254 -9.2254 -6.0961 -6.0961 -2.2122 -2.2116 -2.0079 -2.0078 1.1353 1.1361 1.4666 1.4702 2.6291 2.6307 4.2864 4.2867 4.5994 4.6024 5.1791 5.1816 5.8470 5.8473 7.4384 7.4385 7.8249 7.8251 8.6205 8.6215 8.7661 8.7670 11.1809 11.1809 14.2418 14.2425 17.1362 17.1364 18.1779 18.1794 18.5964 18.5972 k = 0.2750 0.2607-0.0249 ( 1619 PWs) bands (ev): -9.1783 -9.1783 -6.1358 -6.1358 -2.2498 -2.2493 -2.0586 -2.0585 1.1764 1.1771 1.4707 1.4742 2.6450 2.6466 4.3122 4.3125 4.6120 4.6148 5.1905 5.1929 5.8366 5.8369 7.4655 7.4657 7.6880 7.6881 8.6249 8.6257 8.7267 8.7277 11.1398 11.1399 14.3145 14.3152 17.1840 17.1842 18.2322 18.2336 18.6823 18.6832 k = 0.2833 0.2686-0.0257 ( 1621 PWs) bands (ev): -9.1310 -9.1309 -6.1734 -6.1734 -2.2921 -2.2915 -2.1079 -2.1078 1.2116 1.2122 1.4776 1.4808 2.6680 2.6696 4.3358 4.3361 4.6203 4.6229 5.2113 5.2134 5.8255 5.8258 7.4933 7.4935 7.5537 7.5538 8.4841 8.4848 8.8366 8.8376 11.0981 11.0982 14.3844 14.3851 17.2260 17.2262 18.2834 18.2846 18.7655 18.7663 k = 0.2917 0.2765-0.0264 ( 1621 PWs) bands (ev): -9.0834 -9.0834 -6.2088 -6.2088 -2.3388 -2.3383 -2.1556 -2.1555 1.2397 1.2400 1.4894 1.4924 2.6973 2.6988 4.3571 4.3574 4.6238 4.6261 5.2414 5.2432 5.8139 5.8142 7.4225 7.4226 7.5221 7.5222 8.3439 8.3446 8.9497 8.9506 11.0558 11.0558 14.4509 14.4516 17.2625 17.2625 18.3312 18.3323 18.8457 18.8466 k = 0.3000 0.2844-0.0272 ( 1624 PWs) bands (ev): -9.0358 -9.0358 -6.2418 -6.2418 -2.3898 -2.3893 -2.2017 -2.2016 1.2603 1.2603 1.5075 1.5101 2.7321 2.7335 4.3764 4.3767 4.6225 4.6244 5.2800 5.2814 5.8017 5.8020 7.2949 7.2949 7.5516 7.5517 8.2047 8.2053 9.0653 9.0663 11.0129 11.0129 14.5133 14.5140 17.2934 17.2934 18.3758 18.3767 18.9231 18.9239 k = 0.3083 0.2923-0.0279 ( 1628 PWs) bands (ev): -8.9884 -8.9883 -6.2725 -6.2725 -2.4448 -2.4443 -2.2462 -2.2461 1.2739 1.2742 1.5317 1.5338 2.7717 2.7731 4.3938 4.3941 4.6170 4.6185 5.3254 5.3266 5.7892 5.7895 7.1715 7.1715 7.5821 7.5822 8.0665 8.0670 9.1830 9.1839 10.9694 10.9695 14.5710 14.5717 17.3193 17.3194 18.4170 18.4178 18.9974 18.9983 k = 0.3167 0.3002-0.0287 ( 1628 PWs) bands (ev): -8.9412 -8.9412 -6.3007 -6.3007 -2.5034 -2.5029 -2.2890 -2.2889 1.2826 1.2832 1.5605 1.5622 2.8157 2.8170 4.4094 4.4097 4.6081 4.6093 5.3757 5.3766 5.7764 5.7767 7.0530 7.0531 7.6136 7.6136 7.9298 7.9302 9.3022 9.3031 10.9257 10.9257 14.6232 14.6239 17.3408 17.3410 18.4550 18.4556 19.0687 19.0696 k = 0.3250 0.3081-0.0295 ( 1626 PWs) bands (ev): -8.8946 -8.8945 -6.3264 -6.3263 -2.5652 -2.5647 -2.3301 -2.3300 1.2884 1.2892 1.5924 1.5938 2.8636 2.8649 4.4234 4.4236 4.5967 4.5975 5.4285 5.4290 5.7634 5.7637 6.9406 6.9407 7.6458 7.6459 7.7949 7.7952 9.4223 9.4232 10.8816 10.8816 14.6692 14.6699 17.3588 17.3590 18.4899 18.4903 19.1370 19.1379 k = 0.3333 0.3160-0.0302 ( 1625 PWs) bands (ev): -8.8486 -8.8486 -6.3494 -6.3494 -2.6299 -2.6294 -2.3695 -2.3694 1.2929 1.2938 1.6259 1.6271 2.9152 2.9165 4.4358 4.4360 4.5835 4.5840 5.4809 5.4812 5.7503 5.7506 6.8354 6.8355 7.6620 7.6624 7.6790 7.6791 9.5428 9.5436 10.8374 10.8374 14.7083 14.7089 17.3742 17.3746 18.5215 18.5217 19.2021 19.2030 k = 0.3417 0.3239-0.0310 ( 1628 PWs) bands (ev): -8.8035 -8.8035 -6.3698 -6.3698 -2.6969 -2.6964 -2.4071 -2.4070 1.2971 1.2981 1.6601 1.6611 2.9701 2.9714 4.4468 4.4470 4.5692 4.5695 5.5297 5.5297 5.7372 5.7375 6.7391 6.7394 7.5325 7.5327 7.7126 7.7127 9.6631 9.6640 10.7932 10.7932 14.7397 14.7404 17.3883 17.3888 18.5499 18.5499 19.2638 19.2647 k = 0.3500 0.3318-0.0317 ( 1628 PWs) bands (ev): -8.7595 -8.7595 -6.3875 -6.3875 -2.7657 -2.7653 -2.4429 -2.4428 1.3017 1.3027 1.6944 1.6953 3.0281 3.0294 4.4566 4.4568 4.5545 4.5546 5.5710 5.5711 5.7242 5.7245 6.6537 6.6541 7.4069 7.4069 7.7469 7.7469 9.7828 9.7835 10.7491 10.7491 14.7631 14.7638 17.4024 17.4029 18.5749 18.5751 19.3221 19.3230 k = 0.3583 0.3397-0.0325 ( 1628 PWs) bands (ev): -8.7168 -8.7167 -6.4026 -6.4026 -2.8358 -2.8354 -2.4769 -2.4768 1.3069 1.3079 1.7285 1.7292 3.0890 3.0903 4.4652 4.4654 4.5396 4.5398 5.6009 5.6012 5.7114 5.7116 6.5811 6.5816 7.2866 7.2868 7.7815 7.7816 9.9011 9.9018 10.7054 10.7054 14.7782 14.7788 17.4176 17.4182 18.5964 18.5968 19.3766 19.3776 k = 0.3667 0.3476-0.0332 ( 1630 PWs) bands (ev): -8.6755 -8.6755 -6.4149 -6.4149 -2.9066 -2.9062 -2.5090 -2.5089 1.3128 1.3138 1.7620 1.7626 3.1526 3.1538 4.4728 4.4730 4.5251 4.5254 5.6156 5.6160 5.6988 5.6991 6.5222 6.5229 7.1744 7.1747 7.8164 7.8164 10.0175 10.0182 10.6621 10.6621 14.7847 14.7853 17.4350 17.4358 18.6142 18.6148 19.4271 19.4280 k = 0.3750 0.3555-0.0340 ( 1633 PWs) bands (ev): -8.6359 -8.6359 -6.4247 -6.4246 -2.9776 -2.9772 -2.5393 -2.5392 1.3193 1.3203 1.7950 1.7955 3.2184 3.2196 4.4794 4.4796 4.5113 4.5117 5.6125 5.6129 5.6866 5.6868 6.4749 6.4758 7.0741 7.0747 7.8512 7.8513 10.1314 10.1321 10.6195 10.6195 14.7829 14.7834 17.4556 17.4565 18.6282 18.6289 19.4731 19.4741 k = 0.3833 0.3634-0.0347 ( 1631 PWs) bands (ev): -8.5982 -8.5982 -6.4318 -6.4318 -3.0481 -3.0478 -2.5677 -2.5677 1.3264 1.3274 1.8272 1.8277 3.2863 3.2875 4.4849 4.4853 4.4988 4.4992 5.5916 5.5921 5.6748 5.6750 6.4328 6.4340 6.9920 6.9928 7.8859 7.8859 10.2421 10.2427 10.5780 10.5781 14.7731 14.7737 17.4801 17.4810 18.6382 18.6391 19.5144 19.5154 k = 0.3917 0.3713-0.0355 ( 1627 PWs) bands (ev): -8.5626 -8.5625 -6.4365 -6.4365 -3.1176 -3.1173 -2.5942 -2.5942 1.3339 1.3348 1.8588 1.8592 3.3557 3.3569 4.4856 4.4871 4.4911 4.4917 5.5555 5.5560 5.6635 5.6637 6.3858 6.3872 6.9353 6.9362 7.9200 7.9201 10.3483 10.3488 10.5384 10.5384 14.7563 14.7568 17.5086 17.5096 18.6440 18.6450 19.5507 19.5516 k = 0.4000 0.3792-0.0363 ( 1628 PWs) bands (ev): -8.5291 -8.5291 -6.4389 -6.4389 -3.1855 -3.1852 -2.6188 -2.6188 1.3415 1.3424 1.8894 1.8898 3.4263 3.4275 4.4766 4.4778 4.4950 4.4952 5.5084 5.5089 5.6528 5.6530 6.3253 6.3268 6.9083 6.9093 7.9535 7.9535 10.4441 10.4444 10.5061 10.5064 14.7332 14.7337 17.5413 17.5423 18.6453 18.6465 19.5814 19.5824 k = 0.4083 0.3871-0.0370 ( 1626 PWs) bands (ev): -8.4980 -8.4980 -6.4393 -6.4393 -3.2511 -3.2508 -2.6415 -2.6415 1.3491 1.3499 1.9192 1.9195 3.4975 3.4987 4.4687 4.4700 4.4987 4.4988 5.4545 5.4550 5.6427 5.6429 6.2491 6.2505 6.9088 6.9097 7.9860 7.9860 10.4525 10.4526 10.5577 10.5583 14.7051 14.7055 17.5779 17.5790 18.6423 18.6436 19.6065 19.6075 k = 0.4167 0.3950-0.0378 ( 1626 PWs) bands (ev): -8.4694 -8.4694 -6.4378 -6.4378 -3.3138 -3.3135 -2.6623 -2.6622 1.3565 1.3573 1.9478 1.9480 3.5686 3.5698 4.4629 4.4643 4.5019 4.5020 5.3974 5.3980 5.6333 5.6335 6.1610 6.1623 6.9294 6.9302 8.0172 8.0172 10.4193 10.4193 10.6473 10.6479 14.6731 14.6736 17.6181 17.6192 18.6349 18.6362 19.6260 19.6269 k = 0.4250 0.4029-0.0385 ( 1622 PWs) bands (ev): -8.4433 -8.4433 -6.4348 -6.4348 -3.3730 -3.3728 -2.6811 -2.6810 1.3636 1.3643 1.9751 1.9753 3.6387 3.6399 4.4595 4.4611 4.5047 4.5047 5.3403 5.3409 5.6247 5.6249 6.0659 6.0671 6.9623 6.9629 8.0468 8.0468 10.3860 10.3860 10.7329 10.7334 14.6389 14.6393 17.6611 17.6623 18.6232 18.6246 19.6400 19.6409 k = 0.4333 0.4108-0.0393 ( 1624 PWs) bands (ev): -8.4199 -8.4199 -6.4305 -6.4305 -3.4281 -3.4279 -2.6979 -2.6979 1.3702 1.3708 2.0008 2.0010 3.7068 3.7080 4.4589 4.4606 4.5070 4.5071 5.2853 5.2859 5.6168 5.6170 5.9680 5.9691 7.0013 7.0018 8.0744 8.0744 10.3547 10.3547 10.8119 10.8123 14.6037 14.6040 17.7062 17.7074 18.6076 18.6090 19.6488 19.6497 k = 0.4417 0.4187-0.0400 ( 1626 PWs) bands (ev): -8.3992 -8.3992 -6.4255 -6.4255 -3.4785 -3.4784 -2.7128 -2.7128 1.3762 1.3768 2.0246 2.0248 3.7716 3.7727 4.4615 4.4632 4.5089 4.5090 5.2345 5.2350 5.6098 5.6099 5.8704 5.8714 7.0422 7.0426 8.0999 8.0999 10.3260 10.3260 10.8835 10.8839 14.5687 14.5690 17.7525 17.7537 18.5885 18.5900 19.6533 19.6540 k = 0.4500 0.4266-0.0408 ( 1624 PWs) bands (ev): -8.3812 -8.3812 -6.4200 -6.4200 -3.5236 -3.5235 -2.7258 -2.7257 1.3816 1.3820 2.0463 2.0464 3.8316 3.8328 4.4673 4.4690 4.5106 4.5106 5.1894 5.1898 5.6037 5.6038 5.7755 5.7764 7.0821 7.0824 8.1228 8.1228 10.3002 10.3002 10.9471 10.9474 14.5356 14.5359 17.7987 17.8000 18.5668 18.5682 19.6541 19.6548 k = 0.4583 0.4345-0.0415 ( 1624 PWs) bands (ev): -8.3660 -8.3660 -6.4145 -6.4145 -3.5629 -3.5628 -2.7367 -2.7367 1.3862 1.3866 2.0654 2.0655 3.8853 3.8864 4.4763 4.4780 4.5119 4.5120 5.1513 5.1517 5.5984 5.5985 5.6856 5.6864 7.1187 7.1189 8.1428 8.1428 10.2778 10.2778 11.0020 11.0023 14.5054 14.5056 17.8436 17.8448 18.5432 18.5446 19.6524 19.6531 k = 0.4667 0.4424-0.0423 ( 1618 PWs) bands (ev): -8.3536 -8.3536 -6.4094 -6.4094 -3.5958 -3.5957 -2.7456 -2.7456 1.3900 1.3903 2.0816 2.0817 3.9312 3.9321 4.4878 4.4894 4.5129 4.5131 5.1213 5.1217 5.5940 5.5940 5.6035 5.6041 7.1505 7.1507 8.1597 8.1597 10.2590 10.2590 11.0476 11.0479 14.4793 14.4794 17.8857 17.8868 18.5192 18.5204 19.6493 19.6498 k = 0.4750 0.4503-0.0430 ( 1618 PWs) bands (ev): -8.3439 -8.3439 -6.4049 -6.4049 -3.6219 -3.6218 -2.7526 -2.7526 1.3930 1.3932 2.0946 2.0947 3.9677 3.9685 4.5004 4.5019 4.5137 4.5140 5.1000 5.1003 5.5317 5.5323 5.5907 5.5907 7.1764 7.1765 8.1731 8.1731 10.2440 10.2440 11.0837 11.0838 14.4580 14.4581 17.9227 17.9236 18.4965 18.4975 19.6455 19.6459 k = 0.4833 0.4582-0.0438 ( 1614 PWs) bands (ev): -8.3370 -8.3370 -6.4015 -6.4015 -3.6408 -3.6407 -2.7576 -2.7576 1.3952 1.3953 2.1042 2.1042 3.9943 3.9948 4.5113 4.5128 4.5149 4.5155 5.0870 5.0872 5.4748 5.4752 5.5882 5.5883 7.1954 7.1954 8.1829 8.1829 10.2332 10.2332 11.1097 11.1098 14.4422 14.4423 17.9523 17.9530 18.4774 18.4782 19.6422 19.6425 k = 0.4917 0.4661-0.0446 ( 1616 PWs) bands (ev): -8.3329 -8.3329 -6.3994 -6.3994 -3.6522 -3.6522 -2.7606 -2.7606 1.3965 1.3966 2.1100 2.1100 4.0103 4.0106 4.5141 4.5143 4.5217 4.5219 5.0809 5.0810 5.4375 5.4378 5.5867 5.5868 7.2070 7.2070 8.1888 8.1888 10.2266 10.2266 11.1254 11.1254 14.4325 14.4325 17.9717 17.9720 18.4645 18.4649 19.6399 19.6401 k = 0.5000 0.4740-0.0453 ( 1616 PWs) bands (ev): -8.3315 -8.3315 -6.3987 -6.3987 -3.6561 -3.6561 -2.7616 -2.7616 1.3970 1.3970 2.1120 2.1120 4.0158 4.0158 4.5144 4.5144 4.5247 4.5247 5.0793 5.0793 5.4245 5.4245 5.5863 5.5863 7.2109 7.2109 8.1908 8.1908 10.2244 10.2244 11.1307 11.1307 14.4293 14.4293 17.9786 17.9786 18.4600 18.4600 19.6392 19.6392 k = 0.5000 0.4740-0.0453 ( 1616 PWs) bands (ev): -8.3315 -8.3315 -6.3987 -6.3987 -3.6561 -3.6561 -2.7616 -2.7616 1.3970 1.3970 2.1120 2.1120 4.0158 4.0158 4.5144 4.5144 4.5247 4.5247 5.0793 5.0793 5.4245 5.4245 5.5863 5.5863 7.2109 7.2109 8.1908 8.1908 10.2244 10.2244 11.1307 11.1307 14.4293 14.4293 17.9786 17.9786 18.4600 18.4600 19.6392 19.6392 k = 0.5006 0.4745-0.0338 ( 1616 PWs) bands (ev): -8.3310 -8.3310 -6.3983 -6.3983 -3.6552 -3.6552 -2.7607 -2.7607 1.3850 1.3852 2.1136 2.1137 4.0090 4.0093 4.4988 4.4988 4.5262 4.5266 5.0580 5.0580 5.4620 5.4622 5.6011 5.6011 7.2128 7.2129 8.1916 8.1916 10.2249 10.2249 11.1309 11.1309 14.4278 14.4278 17.9778 17.9779 18.4601 18.4603 19.6391 19.6391 k = 0.5011 0.4750-0.0223 ( 1612 PWs) bands (ev): -8.3293 -8.3293 -6.3971 -6.3971 -3.6526 -3.6526 -2.7580 -2.7580 1.3510 1.3512 2.1170 2.1174 3.9918 3.9923 4.4541 4.4542 4.5234 4.5242 5.0235 5.0235 5.5508 5.5511 5.6433 5.6433 7.2187 7.2188 8.1941 8.1941 10.2265 10.2265 11.1317 11.1317 14.4234 14.4234 17.9756 17.9756 18.4606 18.4609 19.6389 19.6389 k = 0.5017 0.4755-0.0107 ( 1618 PWs) bands (ev): -8.3265 -8.3265 -6.3952 -6.3952 -3.6483 -3.6483 -2.7535 -2.7535 1.2983 1.2987 2.1181 2.1185 3.9696 3.9701 4.3862 4.3862 4.5002 4.5010 5.0155 5.0156 5.6620 5.6625 5.7070 5.7071 7.2287 7.2288 8.1984 8.1984 10.2290 10.2291 11.1330 11.1330 14.4160 14.4161 17.9717 17.9718 18.4614 18.4618 19.6385 19.6385 k = 0.5022 0.4761 0.0008 ( 1628 PWs) bands (ev): -8.3227 -8.3227 -6.3926 -6.3926 -3.6423 -3.6423 -2.7472 -2.7472 1.2312 1.2317 2.1122 2.1127 3.9460 3.9464 4.3012 4.3012 4.4515 4.4520 5.0483 5.0487 5.7826 5.7832 5.7861 5.7862 7.2431 7.2432 8.2043 8.2043 10.2326 10.2326 11.1347 11.1348 14.4057 14.4057 17.9662 17.9663 18.4626 18.4631 19.6378 19.6378 k = 0.5028 0.4766 0.0123 ( 1626 PWs) bands (ev): -8.3177 -8.3177 -6.3892 -6.3892 -3.6346 -3.6346 -2.7391 -2.7391 1.1537 1.1542 2.0955 2.0960 3.9202 3.9203 4.2044 4.2045 4.3911 4.3911 5.1143 5.1150 5.8746 5.8747 5.9078 5.9086 7.2625 7.2626 8.2121 8.2121 10.2373 10.2373 11.1370 11.1371 14.3925 14.3926 17.9592 17.9593 18.4644 18.4649 19.6370 19.6370 k = 0.5033 0.4771 0.0238 ( 1628 PWs) bands (ev): -8.3117 -8.3117 -6.3851 -6.3851 -3.6252 -3.6252 -2.7292 -2.7292 1.0687 1.0692 2.0657 2.0662 3.8842 3.8846 4.0995 4.0996 4.3394 4.3400 5.2014 5.2023 5.9696 5.9696 6.0339 6.0347 7.2873 7.2874 8.2218 8.2218 10.2429 10.2430 11.1398 11.1398 14.3765 14.3766 17.9505 17.9506 18.4667 18.4673 19.6359 19.6359 k = 0.5039 0.4776 0.0354 ( 1626 PWs) bands (ev): -8.3047 -8.3047 -6.3803 -6.3803 -3.6141 -3.6141 -2.7176 -2.7176 0.9786 0.9791 2.0221 2.0225 3.8280 3.8288 3.9890 3.9891 4.3153 4.3164 5.3009 5.3019 6.0679 6.0680 6.1591 6.1601 7.3183 7.3185 8.2334 8.2334 10.2497 10.2497 11.1430 11.1430 14.3576 14.3577 17.9400 17.9401 18.4697 18.4704 19.6344 19.6344 k = 0.5044 0.4782 0.0469 ( 1622 PWs) bands (ev): -8.2966 -8.2966 -6.3748 -6.3748 -3.6014 -3.6013 -2.7042 -2.7042 0.8852 0.8857 1.9653 1.9657 3.7479 3.7489 3.8748 3.8748 4.3262 4.3275 5.4074 5.4085 6.1678 6.1679 6.2822 6.2832 7.3565 7.3568 8.2471 8.2471 10.2575 10.2575 11.1466 11.1467 14.3359 14.3360 17.9278 17.9279 18.4734 18.4742 19.6325 19.6325 k = 0.5050 0.4787 0.0584 ( 1627 PWs) bands (ev): -8.2875 -8.2875 -6.3687 -6.3687 -3.5870 -3.5869 -2.6891 -2.6891 0.7896 0.7901 1.8967 1.8970 3.6489 3.6500 3.7580 3.7580 4.3677 4.3690 5.5174 5.5186 6.2677 6.2677 6.4020 6.4031 7.4028 7.4031 8.2630 8.2630 10.2663 10.2663 11.1507 11.1508 14.3112 14.3114 17.9136 17.9137 18.4779 18.4787 19.6301 19.6301 k = 0.5055 0.4792 0.0699 ( 1629 PWs) bands (ev): -8.2774 -8.2774 -6.3621 -6.3621 -3.5710 -3.5709 -2.6723 -2.6723 0.6931 0.6936 1.8182 1.8185 3.5380 3.5391 3.6395 3.6395 4.4321 4.4334 5.6284 5.6297 6.3665 6.3666 6.5176 6.5189 7.4581 7.4584 8.2811 8.2811 10.2762 10.2762 11.1552 11.1553 14.2838 14.2840 17.8976 17.8976 18.4833 18.4842 19.6271 19.6271 k = 0.5061 0.4797 0.0815 ( 1631 PWs) bands (ev): -8.2665 -8.2665 -6.3549 -6.3549 -3.5534 -3.5533 -2.6538 -2.6538 0.5963 0.5968 1.7316 1.7318 3.4204 3.4214 3.5200 3.5201 4.5132 4.5144 5.7383 5.7397 6.4633 6.4634 6.6288 6.6301 7.5232 7.5236 8.3017 8.3017 10.2872 10.2872 11.1601 11.1602 14.2537 14.2539 17.8796 17.8796 18.4896 18.4905 19.6234 19.6235 k = 0.5066 0.4802 0.0930 ( 1631 PWs) bands (ev): -8.2546 -8.2546 -6.3472 -6.3472 -3.5343 -3.5342 -2.6337 -2.6337 0.5000 0.5005 1.6386 1.6388 3.2992 3.3002 3.4001 3.4002 4.6065 4.6077 5.8452 5.8466 6.5575 6.5576 6.7357 6.7370 7.5984 7.5988 8.3248 8.3248 10.2992 10.2993 11.1653 11.1654 14.2210 14.2212 17.8597 17.8598 18.4970 18.4979 19.6191 19.6191 k = 0.5072 0.4808 0.1045 ( 1625 PWs) bands (ev): -8.2419 -8.2419 -6.3390 -6.3390 -3.5136 -3.5134 -2.6120 -2.6120 0.4046 0.4051 1.5408 1.5409 3.1762 3.1771 3.2803 3.2803 4.7090 4.7101 5.9475 5.9490 6.6483 6.6484 6.8390 6.8404 7.6836 7.6840 8.3506 8.3506 10.3123 10.3124 11.1708 11.1709 14.1857 14.1859 17.8379 17.8380 18.5054 18.5064 19.6139 19.6140 k = 0.5077 0.4813 0.1161 ( 1625 PWs) bands (ev): -8.2283 -8.2283 -6.3305 -6.3305 -3.4914 -3.4912 -2.5886 -2.5886 0.3107 0.3112 1.4394 1.4394 3.0526 3.0535 3.1606 3.1607 4.8184 4.8195 6.0437 6.0452 6.7353 6.7354 6.9401 6.9415 7.7780 7.7784 8.3791 8.3791 10.3266 10.3266 11.1766 11.1768 14.1478 14.1480 17.8141 17.8143 18.5149 18.5158 19.6079 19.6079 k = 0.5083 0.4818 0.1276 ( 1624 PWs) bands (ev): -8.2140 -8.2140 -6.3216 -6.3216 -3.4677 -3.4676 -2.5638 -2.5638 0.2185 0.2190 1.3355 1.3355 2.9293 2.9301 3.0416 3.0416 4.9331 4.9341 6.1325 6.1340 6.8179 6.8180 7.0406 7.0419 7.8804 7.8807 8.4104 8.4104 10.3419 10.3419 11.1827 11.1828 14.1074 14.1077 17.7885 17.7887 18.5254 18.5264 19.6009 19.6009 k = 0.5088 0.4823 0.1391 ( 1624 PWs) bands (ev): -8.1990 -8.1990 -6.3124 -6.3124 -3.4426 -3.4425 -2.5375 -2.5375 0.1285 0.1290 1.2298 1.2299 2.8067 2.8075 2.9234 2.9234 5.0517 5.0527 6.2130 6.2145 6.8959 6.8960 7.1421 7.1434 7.9894 7.9897 8.4445 8.4445 10.3582 10.3583 11.1890 11.1891 14.0647 14.0650 17.7610 17.7613 18.5370 18.5379 19.5929 19.5930 k = 0.5094 0.4829 0.1506 ( 1624 PWs) bands (ev): -8.1834 -8.1834 -6.3031 -6.3030 -3.4162 -3.4161 -2.5097 -2.5097 0.0409 0.0414 1.1233 1.1234 2.6853 2.6861 2.8062 2.8063 5.1732 5.1741 6.2848 6.2863 6.9689 6.9690 7.2458 7.2469 8.1034 8.1037 8.4813 8.4813 10.3757 10.3758 11.1954 11.1956 14.0199 14.0202 17.7318 17.7322 18.5496 18.5505 19.5840 19.5841 k = 0.5099 0.4834 0.1622 ( 1620 PWs) bands (ev): -8.1672 -8.1672 -6.2935 -6.2935 -3.3885 -3.3883 -2.4806 -2.4806 -0.0439 -0.0434 1.0164 1.0165 2.5655 2.5663 2.6904 2.6904 5.2966 5.2975 6.3481 6.3495 7.0368 7.0369 7.3524 7.3534 8.2211 8.2213 8.5207 8.5207 10.3942 10.3943 11.2020 11.2022 13.9730 13.9733 17.7010 17.7014 18.5632 18.5641 19.5741 19.5742 k = 0.5105 0.4839 0.1737 ( 1625 PWs) bands (ev): -8.1505 -8.1505 -6.2839 -6.2839 -3.3595 -3.3593 -2.4501 -2.4501 -0.1259 -0.1254 0.9097 0.9098 2.4475 2.4482 2.5760 2.5760 5.4212 5.4221 6.4032 6.4046 7.0995 7.0995 7.4619 7.4629 8.3412 8.3414 8.5624 8.5625 10.4137 10.4138 11.2087 11.2089 13.9241 13.9244 17.6686 17.6691 18.5777 18.5785 19.5631 19.5632 k = 0.5110 0.4844 0.1852 ( 1627 PWs) bands (ev): -8.1333 -8.1333 -6.2743 -6.2743 -3.3293 -3.3291 -2.4185 -2.4185 -0.2047 -0.2042 0.8036 0.8037 2.3315 2.3322 2.4631 2.4632 5.5463 5.5472 6.4510 6.4523 7.1570 7.1570 7.5741 7.5750 8.4626 8.4627 8.6063 8.6063 10.4343 10.4344 11.2154 11.2156 13.8735 13.8738 17.6349 17.6354 18.5930 18.5938 19.5513 19.5514 k = 0.5116 0.4849 0.1967 ( 1625 PWs) bands (ev): -8.1159 -8.1158 -6.2648 -6.2648 -3.2980 -3.2978 -2.3857 -2.3857 -0.2801 -0.2796 0.6985 0.6986 2.2178 2.2185 2.3522 2.3522 5.6714 5.6723 6.4922 6.4935 7.2094 7.2095 7.6884 7.6892 8.5843 8.5844 8.6519 8.6519 10.4558 10.4559 11.2221 11.2223 13.8213 13.8217 17.5999 17.6004 18.6091 18.6099 19.5387 19.5387 k = 0.5121 0.4855 0.2083 ( 1622 PWs) bands (ev): -8.0981 -8.0981 -6.2554 -6.2553 -3.2656 -3.2654 -2.3519 -2.3519 -0.3520 -0.3515 0.5946 0.5948 2.1066 2.1073 2.2433 2.2433 5.7959 5.7968 6.5279 6.5292 7.2569 7.2570 7.8041 7.8047 8.6982 8.6984 8.7060 8.7062 10.4782 10.4783 11.2288 11.2291 13.7679 13.7682 17.5638 17.5644 18.6259 18.6267 19.5252 19.5252 k = 0.5127 0.4860 0.2198 ( 1623 PWs) bands (ev): -8.0802 -8.0801 -6.2461 -6.2461 -3.2323 -3.2321 -2.3171 -2.3171 -0.4202 -0.4197 0.4924 0.4925 1.9981 1.9987 2.1365 2.1366 5.9192 5.9202 6.5587 6.5600 7.2998 7.2999 7.9204 7.9209 8.7464 8.7464 8.8258 8.8259 10.5014 10.5015 11.2354 11.2357 13.7133 13.7137 17.5267 17.5273 18.6432 18.6440 19.5110 19.5110 k = 0.5132 0.4865 0.2313 ( 1621 PWs) bands (ev): -8.0621 -8.0621 -6.2372 -6.2372 -3.1982 -3.1980 -2.2816 -2.2816 -0.4846 -0.4841 0.3919 0.3921 1.8925 1.8931 2.0322 2.0322 6.0408 6.0419 6.5855 6.5868 7.3384 7.3384 8.0364 8.0369 8.7944 8.7945 8.9442 8.9442 10.5253 10.5255 11.2419 11.2422 13.6579 13.6583 17.4889 17.4895 18.6610 18.6618 19.4963 19.4963 k = 0.5138 0.4870 0.2428 ( 1621 PWs) bands (ev): -8.0441 -8.0441 -6.2285 -6.2285 -3.1633 -3.1631 -2.2454 -2.2454 -0.5451 -0.5446 0.2936 0.2938 1.7899 1.7906 1.9305 1.9305 6.1602 6.1614 6.6088 6.6102 7.3728 7.3729 8.1516 8.1519 8.8424 8.8424 9.0601 9.0602 10.5499 10.5500 11.2483 11.2485 13.6020 13.6023 17.4504 17.4511 18.6791 18.6799 19.4812 19.4812 k = 0.5143 0.4875 0.2544 ( 1624 PWs) bands (ev): -8.0262 -8.0262 -6.2203 -6.2203 -3.1277 -3.1275 -2.2087 -2.2086 -0.6015 -0.6010 0.1976 0.1978 1.6907 1.6913 1.8315 1.8316 6.2769 6.2783 6.6292 6.6308 7.4036 7.4036 8.2651 8.2653 8.8897 8.8898 9.1732 9.1733 10.5749 10.5751 11.2544 11.2547 13.5458 13.5461 17.4115 17.4122 18.6972 18.6980 19.4657 19.4657 k = 0.5149 0.4881 0.2659 ( 1620 PWs) bands (ev): -8.0086 -8.0085 -6.2125 -6.2125 -3.0916 -3.0914 -2.1716 -2.1716 -0.6537 -0.6533 0.1042 0.1044 1.5950 1.5956 1.7357 1.7357 6.3902 6.3919 6.6472 6.6491 7.4309 7.4309 8.3763 8.3765 8.9361 8.9361 9.2829 9.2829 10.6002 10.6004 11.2602 11.2606 13.4898 13.4901 17.3725 17.3732 18.7154 18.7162 19.4501 19.4502 k = 0.5154 0.4886 0.2774 ( 1620 PWs) bands (ev): -7.9912 -7.9912 -6.2052 -6.2052 -3.0552 -3.0550 -2.1344 -2.1344 -0.7018 -0.7014 0.0135 0.0137 1.5031 1.5036 1.6430 1.6430 6.4991 6.5016 6.6633 6.6660 7.4551 7.4551 8.4848 8.4849 8.9810 8.9810 9.3886 9.3887 10.6257 10.6259 11.2658 11.2662 13.4343 13.4346 17.3335 17.3341 18.7333 18.7341 19.4345 19.4345 k = 0.5160 0.4891 0.2889 ( 1622 PWs) bands (ev): -7.9743 -7.9743 -6.1984 -6.1984 -3.0185 -3.0183 -2.0973 -2.0973 -0.7457 -0.7452 -0.0743 -0.0740 1.4151 1.4156 1.5539 1.5539 6.6007 6.6054 6.6793 6.6842 7.4764 7.4765 8.5898 8.5899 9.0242 9.0242 9.4900 9.4901 10.6510 10.6513 11.2711 11.2714 13.3797 13.3800 17.2946 17.2953 18.7507 18.7516 19.4187 19.4188 k = 0.5165 0.4896 0.3005 ( 1620 PWs) bands (ev): -7.9580 -7.9580 -6.1922 -6.1922 -2.9818 -2.9816 -2.0605 -2.0605 -0.7854 -0.7849 -0.1588 -0.1585 1.3314 1.3319 1.4686 1.4686 6.6707 6.6773 6.7209 6.7277 7.4952 7.4952 8.6910 8.6910 9.0654 9.0654 9.5866 9.5867 10.6761 10.6764 11.2759 11.2763 13.3264 13.3267 17.2562 17.2568 18.7675 18.7684 19.3547 19.3553 k = 0.5171 0.4902 0.3120 ( 1623 PWs) bands (ev): -7.9424 -7.9423 -6.1866 -6.1866 -2.9453 -2.9450 -2.0243 -2.0243 -0.8208 -0.8204 -0.2398 -0.2395 1.2521 1.2526 1.3875 1.3875 6.6914 6.6938 6.8112 6.8138 7.5115 7.5116 8.7877 8.7877 9.1043 9.1044 9.6778 9.6779 10.7006 10.7009 11.2804 11.2808 13.2750 13.2753 17.2183 17.2190 18.7832 18.7841 19.2890 19.2897 k = 0.5176 0.4907 0.3235 ( 1625 PWs) bands (ev): -7.9275 -7.9275 -6.1816 -6.1816 -2.9091 -2.9088 -1.9890 -1.9890 -0.8522 -0.8517 -0.3171 -0.3168 1.1776 1.1780 1.3107 1.3107 6.7023 6.7036 6.9012 6.9026 7.5257 7.5257 8.8794 8.8795 9.1409 9.1409 9.7633 9.7634 10.7244 10.7247 11.2845 11.2849 13.2258 13.2261 17.1813 17.1819 18.7976 18.7985 19.2286 19.2293 k = 0.5182 0.4912 0.3350 ( 1627 PWs) bands (ev): -7.9136 -7.9135 -6.1772 -6.1772 -2.8735 -2.8732 -1.9549 -1.9549 -0.8795 -0.8791 -0.3904 -0.3901 1.1081 1.1085 1.2388 1.2388 6.7105 6.7113 6.9858 6.9866 7.5379 7.5379 8.9658 8.9659 9.1748 9.1749 9.8425 9.8427 10.7471 10.7474 11.2881 11.2885 13.1796 13.1799 17.1454 17.1460 18.8100 18.8110 19.1744 19.1751 k = 0.5187 0.4917 0.3466 ( 1621 PWs) bands (ev): -7.9006 -7.9006 -6.1735 -6.1735 -2.8387 -2.8385 -1.9224 -1.9224 -0.9029 -0.9025 -0.4592 -0.4590 1.0439 1.0443 1.1720 1.1720 6.7170 6.7175 7.0639 7.0645 7.5482 7.5482 9.0463 9.0464 9.2061 9.2061 9.9151 9.9153 10.7685 10.7689 11.2912 11.2917 13.1368 13.1371 17.1109 17.1115 18.8200 18.8209 19.1272 19.1280 k = 0.5193 0.4922 0.3581 ( 1621 PWs) bands (ev): -7.8888 -7.8888 -6.1704 -6.1704 -2.8051 -2.8049 -1.8918 -1.8918 -0.9227 -0.9223 -0.5233 -0.5231 0.9853 0.9856 1.1108 1.1108 6.7220 6.7224 7.1351 7.1355 7.5568 7.5568 9.1206 9.1207 9.2346 9.2347 9.9806 9.9808 10.7884 10.7887 11.2938 11.2943 13.0980 13.0982 17.0779 17.0783 18.8266 18.8276 19.0881 19.0889 k = 0.5198 0.4928 0.3696 ( 1619 PWs) bands (ev): -7.8783 -7.8783 -6.1680 -6.1680 -2.7730 -2.7728 -1.8635 -1.8634 -0.9390 -0.9387 -0.5822 -0.5820 0.9326 0.9329 1.0555 1.0555 6.7258 6.7261 7.1987 7.1990 7.5637 7.5638 9.1881 9.1883 9.2604 9.2604 10.0386 10.0388 10.8065 10.8069 11.2959 11.2964 13.0636 13.0638 17.0465 17.0470 18.8293 18.8302 19.0579 19.0587 k = 0.5204 0.4933 0.3812 ( 1619 PWs) bands (ev): -7.8691 -7.8691 -6.1661 -6.1661 -2.7428 -2.7425 -1.8379 -1.8378 -0.9524 -0.9521 -0.6352 -0.6350 0.8860 0.8863 1.0066 1.0066 6.7283 6.7285 7.2543 7.2545 7.5692 7.5692 9.2484 9.2486 9.2834 9.2835 10.0888 10.0889 10.8225 10.8230 11.2974 11.2979 13.0343 13.0345 17.0171 17.0175 18.8279 18.8287 19.0369 19.0377 k = 0.5209 0.4938 0.3927 ( 1621 PWs) bands (ev): -7.8613 -7.8613 -6.1649 -6.1649 -2.7148 -2.7145 -1.8153 -1.8153 -0.9631 -0.9628 -0.6817 -0.6815 0.8459 0.8462 0.9644 0.9644 6.7297 6.7298 7.3014 7.3016 7.5732 7.5732 9.2991 9.2994 9.3055 9.3057 10.1308 10.1309 10.8364 10.8369 11.2983 11.2989 13.0105 13.0107 16.9899 16.9902 18.8231 18.8238 19.0247 19.0254 k = 0.5215 0.4943 0.4042 ( 1619 PWs) bands (ev): -7.8550 -7.8549 -6.1643 -6.1643 -2.6894 -2.6891 -1.7963 -1.7963 -0.9719 -0.9717 -0.7209 -0.7207 0.8125 0.8128 0.9294 0.9294 6.7298 6.7299 7.3398 7.3399 7.5758 7.5758 9.3199 9.3199 9.3472 9.3473 10.1645 10.1645 10.8480 10.8484 11.2987 11.2992 12.9928 12.9929 16.9650 16.9653 18.8167 18.8171 19.0196 19.0202 k = 0.5215 0.4943 0.4042 ( 1619 PWs) bands (ev): -7.8550 -7.8549 -6.1643 -6.1643 -2.6894 -2.6891 -1.7963 -1.7963 -0.9719 -0.9717 -0.7209 -0.7207 0.8125 0.8128 0.9294 0.9294 6.7298 6.7299 7.3398 7.3399 7.5758 7.5758 9.3199 9.3199 9.3472 9.3473 10.1645 10.1645 10.8480 10.8484 11.2987 11.2992 12.9928 12.9929 16.9650 16.9653 18.8167 18.8171 19.0196 19.0202 k = 0.5172 0.4903 0.4133 ( 1622 PWs) bands (ev): -7.8485 -7.8485 -6.1642 -6.1642 -2.6636 -2.6634 -1.7863 -1.7863 -0.9846 -0.9844 -0.7417 -0.7415 0.7683 0.7685 0.9043 0.9043 6.7428 6.7429 7.3652 7.3653 7.5779 7.5779 9.3374 9.3374 9.3833 9.3834 10.1850 10.1851 10.8593 10.8597 11.3100 11.3104 12.9758 12.9760 16.9401 16.9403 18.8056 18.8059 19.0273 19.0277 k = 0.5129 0.4862 0.4223 ( 1620 PWs) bands (ev): -7.8434 -7.8434 -6.1641 -6.1641 -2.6426 -2.6424 -1.7783 -1.7783 -0.9946 -0.9945 -0.7584 -0.7582 0.7336 0.7337 0.8846 0.8846 6.7528 6.7529 7.3853 7.3854 7.5795 7.5795 9.3510 9.3510 9.4116 9.4116 10.2014 10.2015 10.8683 10.8686 11.3188 11.3192 12.9625 12.9627 16.9205 16.9207 18.7962 18.7965 19.0338 19.0341 k = 0.5086 0.4821 0.4314 ( 1624 PWs) bands (ev): -7.8398 -7.8398 -6.1640 -6.1640 -2.6271 -2.6270 -1.7725 -1.7725 -1.0019 -1.0018 -0.7706 -0.7705 0.7086 0.7087 0.8704 0.8704 6.7598 6.7599 7.3999 7.4000 7.5806 7.5806 9.3607 9.3607 9.4317 9.4317 10.2133 10.2134 10.8748 10.8750 11.3252 11.3254 12.9530 12.9530 16.9064 16.9065 18.7891 18.7893 19.0386 19.0388 k = 0.5043 0.4781 0.4405 ( 1624 PWs) bands (ev): -7.8376 -7.8376 -6.1640 -6.1640 -2.6175 -2.6175 -1.7690 -1.7690 -1.0062 -1.0062 -0.7780 -0.7779 0.6935 0.6936 0.8618 0.8619 6.7640 6.7640 7.4087 7.4088 7.5813 7.5813 9.3666 9.3666 9.4438 9.4438 10.2206 10.2206 10.8788 10.8789 11.3290 11.3292 12.9472 12.9472 16.8978 16.8979 18.7847 18.7848 19.0417 19.0417 k = 0.5000 0.4740 0.4495 ( 1626 PWs) bands (ev): -7.8369 -7.8369 -6.1640 -6.1640 -2.6143 -2.6143 -1.7678 -1.7678 -1.0076 -1.0076 -0.7805 -0.7805 0.6885 0.6885 0.8590 0.8590 6.7654 6.7654 7.4117 7.4117 7.5815 7.5815 9.3685 9.3685 9.4478 9.4478 10.2230 10.2230 10.8801 10.8801 11.3304 11.3304 12.9452 12.9452 16.8950 16.8950 18.7832 18.7832 19.0427 19.0427 k = 0.5000 0.4740 0.4495 ( 1626 PWs) bands (ev): -7.8369 -7.8369 -6.1640 -6.1640 -2.6143 -2.6143 -1.7678 -1.7678 -1.0076 -1.0076 -0.7805 -0.7805 0.6885 0.6885 0.8590 0.8590 6.7654 6.7654 7.4117 7.4117 7.5815 7.5815 9.3685 9.3685 9.4478 9.4478 10.2230 10.2230 10.8801 10.8801 11.3304 11.3304 12.9452 12.9452 16.8950 16.8950 18.7832 18.7832 19.0427 19.0427 k = 0.5076 0.4660 0.4495 ( 1624 PWs) bands (ev): -7.8378 -7.8378 -6.1637 -6.1637 -2.6204 -2.6203 -1.7650 -1.7646 -1.0053 -1.0048 -0.7802 -0.7802 0.6845 0.6848 0.8705 0.8707 6.7647 6.7647 7.4114 7.4114 7.5771 7.5771 9.3653 9.3656 9.4464 9.4468 10.2218 10.2219 10.8767 10.8769 11.3284 11.3284 12.9476 12.9477 16.8976 16.8977 18.7840 18.7841 19.0442 19.0444 k = 0.5152 0.4580 0.4495 ( 1626 PWs) bands (ev): -7.8405 -7.8405 -6.1627 -6.1627 -2.6380 -2.6378 -1.7570 -1.7562 -0.9974 -0.9965 -0.7794 -0.7793 0.6755 0.6760 0.9024 0.9027 6.7626 6.7626 7.4103 7.4104 7.5638 7.5639 9.3559 9.3564 9.4426 9.4433 10.2181 10.2184 10.8667 10.8671 11.3224 11.3224 12.9548 12.9549 16.9057 16.9059 18.7864 18.7865 19.0490 19.0494 k = 0.5228 0.4499 0.4495 ( 1626 PWs) bands (ev): -7.8450 -7.8450 -6.1611 -6.1611 -2.6655 -2.6652 -1.7463 -1.7452 -0.9827 -0.9814 -0.7776 -0.7775 0.6662 0.6668 0.9495 0.9498 6.7591 6.7592 7.4086 7.4088 7.5418 7.5420 9.3405 9.3411 9.4363 9.4373 10.2121 10.2125 10.8503 10.8509 11.3126 11.3126 12.9667 12.9668 16.9192 16.9195 18.7903 18.7905 19.0569 19.0575 k = 0.5304 0.4419 0.4495 ( 1628 PWs) bands (ev): -7.8513 -7.8513 -6.1588 -6.1588 -2.7010 -2.7006 -1.7362 -1.7349 -0.9598 -0.9581 -0.7745 -0.7744 0.6592 0.6599 1.0084 1.0087 6.7543 6.7544 7.4061 7.4064 7.5112 7.5116 9.3192 9.3199 9.4275 9.4286 10.2037 10.2041 10.8275 10.8284 11.2990 11.2990 12.9830 12.9832 16.9378 16.9382 18.7955 18.7957 19.0677 19.0686 k = 0.5380 0.4339 0.4495 ( 1632 PWs) bands (ev): -7.8593 -7.8593 -6.1559 -6.1559 -2.7424 -2.7420 -1.7300 -1.7285 -0.9268 -0.9250 -0.7697 -0.7695 0.6555 0.6563 1.0772 1.0775 6.7481 6.7483 7.4030 7.4034 7.4721 7.4726 9.2922 9.2928 9.4162 9.4173 10.1928 10.1934 10.7987 10.7998 11.2818 11.2818 13.0036 13.0037 16.9614 16.9619 18.8019 18.8021 19.0812 19.0823 k = 0.5456 0.4259 0.4495 ( 1628 PWs) bands (ev): -7.8692 -7.8692 -6.1523 -6.1523 -2.7880 -2.7875 -1.7299 -1.7283 -0.8830 -0.8811 -0.7625 -0.7623 0.6555 0.6563 1.1546 1.1548 6.7406 6.7408 7.3986 7.3995 7.4251 7.4261 9.2596 9.2601 9.4022 9.4034 10.1796 10.1803 10.7643 10.7655 11.2612 11.2613 13.0281 13.0283 16.9898 16.9904 18.8090 18.8093 19.0971 19.0984 k = 0.4544-0.4793 0.4948 ( 1628 PWs) bands (ev): -7.8692 -7.8692 -6.1523 -6.1523 -2.7880 -2.7875 -1.7299 -1.7283 -0.8830 -0.8811 -0.7625 -0.7623 0.6555 0.6563 1.1546 1.1548 6.7406 6.7408 7.3986 7.3995 7.4251 7.4261 9.2596 9.2601 9.4022 9.4034 10.1796 10.1803 10.7643 10.7655 11.2612 11.2613 13.0281 13.0283 16.9898 16.9904 18.8090 18.8093 19.0971 19.0984 k = 0.4464-0.4709 0.4948 ( 1628 PWs) bands (ev): -7.8815 -7.8814 -6.1478 -6.1477 -2.8387 -2.8383 -1.7377 -1.7362 -0.8264 -0.8246 -0.7506 -0.7503 0.6593 0.6601 1.2440 1.2441 6.7313 6.7316 7.3662 7.3667 7.3953 7.3958 9.2196 9.2200 9.3847 9.3858 10.1631 10.1640 10.7225 10.7239 11.2363 11.2363 13.0578 13.0580 17.0246 17.0253 18.8172 18.8175 19.1157 19.1175 k = 0.4385-0.4625 0.4948 ( 1628 PWs) bands (ev): -7.8957 -7.8956 -6.1425 -6.1424 -2.8911 -2.8907 -1.7535 -1.7522 -0.7701 -0.7695 -0.7233 -0.7220 0.6668 0.6676 1.3409 1.3410 6.7206 6.7209 7.3002 7.3006 7.3897 7.3898 9.1737 9.1739 9.3642 9.3652 10.1439 10.1450 10.6753 10.6769 11.2082 11.2082 13.0911 13.0914 17.0641 17.0649 18.8256 18.8260 19.1355 19.1382 k = 0.4305-0.4541 0.4948 ( 1628 PWs) bands (ev): -7.9118 -7.9117 -6.1363 -6.1362 -2.9444 -2.9439 -1.7764 -1.7753 -0.7417 -0.7414 -0.6547 -0.6527 0.6777 0.6785 1.4445 1.4446 6.7085 6.7089 7.2258 7.2263 7.3834 7.3835 9.1221 9.1222 9.3408 9.3417 10.1221 10.1232 10.6233 10.6251 11.1771 11.1772 13.1277 13.1279 17.1080 17.1089 18.8340 18.8344 19.1507 19.1564 k = 0.4225-0.4457 0.4948 ( 1626 PWs) bands (ev): -7.9298 -7.9297 -6.1294 -6.1293 -2.9977 -2.9973 -1.8048 -1.8038 -0.7228 -0.7225 -0.5638 -0.5618 0.6919 0.6927 1.5542 1.5543 6.6951 6.6956 7.1437 7.1445 7.3763 7.3766 9.0649 9.0650 9.3144 9.3152 10.0975 10.0988 10.5671 10.5691 11.1434 11.1435 13.1670 13.1673 17.1559 17.1569 18.8420 18.8423 19.1358 19.1367 k = 0.4145-0.4373 0.4948 ( 1624 PWs) bands (ev): -7.9496 -7.9496 -6.1216 -6.1215 -3.0506 -3.0502 -1.8371 -1.8363 -0.7037 -0.7034 -0.4622 -0.4603 0.7090 0.7098 1.6693 1.6694 6.6803 6.6809 7.0546 7.0555 7.3685 7.3688 9.0023 9.0026 9.2850 9.2857 10.0702 10.0716 10.5074 10.5096 11.1073 11.1075 13.2089 13.2091 17.2075 17.2086 18.8491 18.8495 19.1097 19.1103 k = 0.4066-0.4289 0.4948 ( 1622 PWs) bands (ev): -7.9713 -7.9713 -6.1130 -6.1129 -3.1028 -3.1024 -1.8719 -1.8712 -0.6829 -0.6826 -0.3525 -0.3507 0.7289 0.7297 1.7893 1.7895 6.6641 6.6650 6.9588 6.9599 7.3599 7.3602 8.9345 8.9349 9.2527 9.2533 10.0401 10.0418 10.4447 10.4470 11.0691 11.0692 13.2527 13.2530 17.2625 17.2636 18.8552 18.8556 19.0809 19.0818 k = 0.3986-0.4205 0.4948 ( 1622 PWs) bands (ev): -7.9947 -7.9947 -6.1035 -6.1034 -3.1540 -3.1536 -1.9077 -1.9072 -0.6601 -0.6598 -0.2362 -0.2345 0.7516 0.7524 1.9137 1.9139 6.6463 6.6476 6.8570 6.8586 7.3505 7.3509 8.8616 8.8621 9.2174 9.2179 10.0073 10.0091 10.3796 10.3822 11.0289 11.0291 13.2983 13.2986 17.3204 17.3216 18.8599 18.8603 19.0506 19.0517 k = 0.3906-0.4121 0.4948 ( 1620 PWs) bands (ev): -8.0199 -8.0198 -6.0933 -6.0932 -3.2041 -3.2037 -1.9437 -1.9433 -0.6354 -0.6351 -0.1142 -0.1126 0.7770 0.7778 2.0421 2.0422 6.6261 6.6283 6.7503 6.7528 7.3402 7.3407 8.7838 8.7844 9.1791 9.1795 9.9718 9.9737 10.3129 10.3156 10.9870 10.9872 13.3453 13.3456 17.3810 17.3822 18.8630 18.8634 19.0190 19.0203 k = 0.3827-0.4037 0.4948 ( 1618 PWs) bands (ev): -8.0466 -8.0466 -6.0823 -6.0822 -3.2529 -3.2524 -1.9788 -1.9785 -0.6086 -0.6082 0.0126 0.0141 0.8049 0.8057 2.1740 2.1741 6.5957 6.6013 6.6450 6.6509 7.3291 7.3296 8.7012 8.7019 9.1380 9.1383 9.9335 9.9356 10.2450 10.2478 10.9436 10.9438 13.3932 13.3936 17.4439 17.4452 18.8642 18.8646 18.9865 18.9879 k = 0.3747-0.3953 0.4948 ( 1616 PWs) bands (ev): -8.0749 -8.0749 -6.0705 -6.0704 -3.3003 -3.2999 -2.0123 -2.0121 -0.5798 -0.5795 0.1436 0.1451 0.8355 0.8363 2.3091 2.3093 6.5084 6.5114 6.5967 6.6000 7.3172 7.3177 8.6140 8.6148 9.0939 9.0941 9.8925 9.8949 10.1765 10.1795 10.8988 10.8992 13.4419 13.4423 17.5087 17.5101 18.8634 18.8637 18.9535 18.9549 k = 0.3667-0.3868 0.4948 ( 1616 PWs) bands (ev): -8.1047 -8.1047 -6.0581 -6.0580 -3.3463 -3.3459 -2.0437 -2.0435 -0.5491 -0.5487 0.2782 0.2796 0.8687 0.8696 2.4470 2.4472 6.3900 6.3914 6.5733 6.5749 7.3043 7.3049 8.5224 8.5232 9.0469 9.0470 9.8490 9.8515 10.1078 10.1109 10.8530 10.8533 13.4910 13.4914 17.5752 17.5766 18.8602 18.8604 18.9206 18.9221 k = 0.3587-0.3784 0.4948 ( 1618 PWs) bands (ev): -8.1358 -8.1358 -6.0450 -6.0449 -3.3908 -3.3903 -2.0724 -2.0723 -0.5165 -0.5161 0.4156 0.4170 0.9049 0.9058 2.5875 2.5877 6.2650 6.2659 6.5507 6.5517 7.2905 7.2911 8.4265 8.4274 8.9970 8.9971 9.8029 9.8056 10.0393 10.0425 10.8062 10.8066 13.5403 13.5407 17.6429 17.6443 18.8531 18.8536 18.8895 18.8910 k = 0.3508-0.3700 0.4948 ( 1618 PWs) bands (ev): -8.1682 -8.1682 -6.0314 -6.0313 -3.4337 -3.4332 -2.0982 -2.0980 -0.4820 -0.4817 0.5551 0.5564 0.9445 0.9454 2.7302 2.7304 6.1359 6.1367 6.5278 6.5285 7.2757 7.2764 8.3266 8.3276 8.9443 8.9443 9.7547 9.7574 9.9713 9.9745 10.7586 10.7590 13.5895 13.5899 17.7115 17.7130 18.8365 18.8381 18.8660 18.8678 k = 0.3428-0.3616 0.4948 ( 1618 PWs) bands (ev): -8.2018 -8.2018 -6.0173 -6.0172 -3.4749 -3.4744 -2.1206 -2.1204 -0.4458 -0.4455 0.6948 0.6961 0.9889 0.9898 2.8749 2.8751 6.0037 6.0045 6.5042 6.5048 7.2600 7.2607 8.2230 8.2240 8.8887 8.8888 9.7044 9.7073 9.9038 9.9071 10.7104 10.7108 13.6383 13.6387 17.7805 17.7821 18.8089 18.8108 18.8534 18.8550 k = 0.3348-0.3532 0.4948 ( 1618 PWs) bands (ev): -8.2364 -8.2364 -6.0029 -6.0028 -3.5143 -3.5138 -2.1395 -2.1392 -0.4080 -0.4076 0.8309 0.8321 1.0417 1.0426 3.0212 3.0214 5.8690 5.8697 6.4801 6.4806 7.2433 7.2440 8.1159 8.1169 8.8304 8.8306 9.6526 9.6555 9.8370 9.8403 10.6616 10.6621 13.6865 13.6869 17.8495 17.8511 18.7779 18.7798 18.8442 18.8456 k = 0.3269-0.3448 0.4948 ( 1620 PWs) bands (ev): -8.2719 -8.2719 -5.9883 -5.9882 -3.5518 -3.5513 -2.1548 -2.1544 -0.3684 -0.3680 0.9526 0.9536 1.1135 1.1144 3.1688 3.1690 5.7323 5.7331 6.4555 6.4559 7.2254 7.2261 8.0057 8.0067 8.7695 8.7697 9.5995 9.6024 9.7708 9.7740 10.6126 10.6131 13.7339 13.7343 17.9178 17.9196 18.7469 18.7488 18.8356 18.8369 k = 0.3189-0.3364 0.4948 ( 1622 PWs) bands (ev): -8.3083 -8.3082 -5.9737 -5.9735 -3.5872 -3.5867 -2.1663 -2.1659 -0.3273 -0.3269 1.0437 1.0444 1.2201 1.2209 3.3173 3.3175 5.5942 5.5950 6.4304 6.4307 7.2064 7.2072 7.8926 7.8936 8.7059 8.7062 9.5457 9.5487 9.7049 9.7080 10.5633 10.5638 13.7802 13.7806 17.9846 17.9866 18.7171 18.7190 18.8274 18.8286 k = 0.3109-0.3280 0.4948 ( 1622 PWs) bands (ev): -8.3453 -8.3452 -5.9591 -5.9589 -3.6204 -3.6198 -2.1740 -2.1736 -0.2847 -0.2842 1.1100 1.1105 1.3553 1.3560 3.4663 3.4665 5.4552 5.4560 6.4049 6.4052 7.1862 7.1870 7.7770 7.7780 8.6398 8.6401 9.4917 9.4946 9.6393 9.6423 10.5139 10.5145 13.8254 13.8258 18.0491 18.0512 18.6892 18.6913 18.8199 18.8210 k = 0.3029-0.3196 0.4948 ( 1622 PWs) bands (ev): -8.3828 -8.3828 -5.9447 -5.9446 -3.6510 -3.6505 -2.1779 -2.1774 -0.2408 -0.2402 1.1671 1.1677 1.5033 1.5040 3.6153 3.6155 5.3161 5.3169 6.3791 6.3793 7.1648 7.1656 7.6594 7.6604 8.5712 8.5715 9.4378 9.4406 9.5738 9.5767 10.4645 10.4652 13.8691 13.8695 18.1095 18.1119 18.6641 18.6664 18.8139 18.8149 k = 0.2950-0.3112 0.4948 ( 1622 PWs) bands (ev): -8.4209 -8.4208 -5.9307 -5.9306 -3.6791 -3.6786 -2.1781 -2.1776 -0.1955 -0.1949 1.2219 1.2225 1.6569 1.6576 3.7634 3.7636 5.1777 5.1785 6.3530 6.3532 7.1420 7.1429 7.5400 7.5409 8.5003 8.5007 9.3843 9.3871 9.5084 9.5112 10.4153 10.4160 13.9112 13.9116 18.1639 18.1667 18.6426 18.6454 18.8104 18.8113 k = 0.2870-0.3027 0.4948 ( 1620 PWs) bands (ev): -8.4592 -8.4592 -5.9174 -5.9172 -3.7043 -3.7037 -2.1746 -2.1740 -0.1490 -0.1484 1.2766 1.2773 1.8135 1.8142 3.9092 3.9096 5.0415 5.0423 6.3267 6.3268 7.1179 7.1187 7.4193 7.4202 8.4272 8.4276 9.3315 9.3343 9.4431 9.4458 10.3663 10.3670 13.9516 13.9521 18.2097 18.2130 18.6259 18.6293 18.8109 18.8118 k = 0.2790-0.2943 0.4948 ( 1618 PWs) bands (ev): -8.4977 -8.4977 -5.9048 -5.9046 -3.7264 -3.7259 -2.1675 -2.1669 -0.1014 -0.1008 1.3322 1.3329 1.9721 1.9728 4.0502 4.0507 4.9102 4.9110 6.3003 6.3004 7.0923 7.0931 7.2977 7.2986 8.3520 8.3524 9.2794 9.2822 9.3783 9.3808 10.3177 10.3184 13.9901 13.9905 18.2439 18.2478 18.6145 18.6186 18.8175 18.8184 k = 0.2711-0.2859 0.4948 ( 1620 PWs) bands (ev): -8.5363 -8.5363 -5.8931 -5.8930 -3.7452 -3.7447 -2.1569 -2.1563 -0.0530 -0.0522 1.3889 1.3896 2.1318 2.1324 4.1798 4.1806 4.7903 4.7911 6.2740 6.2740 7.0650 7.0657 7.1760 7.1768 8.2748 8.2752 9.2277 9.2304 9.3144 9.3168 10.2695 10.2703 14.0265 14.0270 18.2644 18.2688 18.6081 18.6128 18.8325 18.8336 k = 0.2631-0.2775 0.4948 ( 1620 PWs) bands (ev): -8.5749 -8.5749 -5.8825 -5.8824 -3.7605 -3.7600 -2.1430 -2.1424 -0.0037 -0.0029 1.4470 1.4477 2.2919 2.2926 4.2780 4.2794 4.7016 4.7027 6.2477 6.2477 7.0338 7.0348 7.0561 7.0575 8.1959 8.1963 9.1756 9.1781 9.2528 9.2548 10.2219 10.2227 14.0608 14.0613 18.2710 18.2757 18.6044 18.6095 18.8580 18.8593 k = 0.2551-0.2691 0.4948 ( 1622 PWs) bands (ev): -8.6134 -8.6134 -5.8732 -5.8730 -3.7721 -3.7716 -2.1259 -2.1253 0.0462 0.0470 1.5065 1.5073 2.4519 2.4525 4.2978 4.2997 4.6915 4.6930 6.2216 6.2216 6.9312 6.9326 7.0069 7.0083 8.1154 8.1159 9.1216 9.1236 9.1954 9.1969 10.1749 10.1757 14.0928 14.0932 18.2653 18.2702 18.6010 18.6062 18.8943 18.8958 k = 0.2471-0.2607 0.4948 ( 1624 PWs) bands (ev): -8.6516 -8.6516 -5.8652 -5.8651 -3.7799 -3.7795 -2.1058 -2.1051 0.0964 0.0973 1.5675 1.5683 2.6107 2.6113 4.2297 4.2316 4.7700 4.7715 6.1958 6.1959 6.8118 6.8130 6.9745 6.9758 8.0336 8.0340 9.0641 9.0655 9.1440 9.1447 10.1286 10.1295 14.1224 14.1228 18.2499 18.2548 18.5959 18.6011 18.9398 18.9414 k = 0.2392-0.2523 0.4948 ( 1624 PWs) bands (ev): -8.6895 -8.6895 -5.8587 -5.8586 -3.7838 -3.7833 -2.0827 -2.0820 0.1468 0.1478 1.6299 1.6307 2.7673 2.7678 4.1253 4.1269 4.8855 4.8868 6.1704 6.1706 6.6943 6.6954 6.9408 6.9419 7.9505 7.9510 9.0029 9.0037 9.0991 9.0992 10.0831 10.0840 14.1495 14.1499 18.2269 18.2317 18.5885 18.5935 18.9921 18.9937 k = 0.2312-0.2439 0.4948 ( 1626 PWs) bands (ev): -8.7269 -8.7269 -5.8539 -5.8538 -3.7836 -3.7831 -2.0569 -2.0561 0.1971 0.1982 1.6937 1.6946 2.9194 2.9199 4.0130 4.0145 5.0100 5.0112 6.1457 6.1460 6.5801 6.5810 6.9054 6.9065 7.8666 7.8670 8.9390 8.9395 9.0594 9.0600 10.0386 10.0395 14.1741 14.1745 18.1975 18.2021 18.5788 18.5837 19.0484 19.0500 k = 0.2232-0.2355 0.4948 ( 1624 PWs) bands (ev): -8.7638 -8.7638 -5.8506 -5.8505 -3.7793 -3.7788 -2.0284 -2.0277 0.2469 0.2481 1.7588 1.7598 3.0630 3.0636 3.9054 3.9067 5.1332 5.1343 6.1216 6.1221 6.4708 6.4717 6.8687 6.8698 7.7819 7.7823 8.8736 8.8741 9.0247 9.0257 9.9950 9.9960 14.1961 14.1966 18.1622 18.1667 18.5673 18.5720 19.1064 19.1079 k = 0.2152-0.2271 0.4948 ( 1624 PWs) bands (ev): -8.8001 -8.8001 -5.8489 -5.8489 -3.7709 -3.7704 -1.9976 -1.9968 0.2959 0.2972 1.8252 1.8262 3.1885 3.1895 3.8146 3.8156 5.2493 5.2505 6.0982 6.0990 6.3693 6.3699 6.8310 6.8320 7.6968 7.6972 8.8078 8.8084 8.9946 8.9958 9.9524 9.9534 14.2154 14.2159 18.1212 18.1254 18.5542 18.5587 19.1635 19.1648 k = 0.2073-0.2187 0.4948 ( 1622 PWs) bands (ev): -8.8357 -8.8357 -5.8489 -5.8489 -3.7584 -3.7579 -1.9644 -1.9637 0.3437 0.3450 1.8928 1.8938 3.2739 3.2757 3.7637 3.7646 5.3529 5.3541 6.0744 6.0757 6.2802 6.2806 6.7928 6.7937 7.6115 7.6120 8.7423 8.7430 8.9689 8.9703 9.9110 9.9120 14.2321 14.2326 18.0741 18.0781 18.5398 18.5440 19.2174 19.2184 k = 0.1993-0.2102 0.4948 ( 1628 PWs) bands (ev): -8.8706 -8.8706 -5.8505 -5.8504 -3.7419 -3.7415 -1.9292 -1.9285 0.3897 0.3911 1.9614 1.9624 3.2886 3.2912 3.7834 3.7847 5.4369 5.4381 6.0471 6.0490 6.2123 6.2127 6.7553 6.7560 7.5263 7.5268 8.6774 8.6782 8.9477 8.9493 9.8707 9.8718 14.2460 14.2465 18.0206 18.0244 18.5244 18.5284 19.2650 19.2659 k = 0.1913-0.2018 0.4948 ( 1630 PWs) bands (ev): -8.9046 -8.9045 -5.8536 -5.8535 -3.7216 -3.7212 -1.8921 -1.8913 0.4333 0.4349 2.0308 2.0319 3.2399 3.2428 3.8671 3.8686 5.4932 5.4942 6.0122 6.0143 6.1764 6.1772 6.7203 6.7209 7.4416 7.4420 8.6135 8.6144 8.9312 8.9330 9.8317 9.8328 14.2572 14.2577 17.9606 17.9641 18.5086 18.5122 19.3039 19.3050 k = 0.1834-0.1934 0.4948 ( 1630 PWs) bands (ev): -8.9376 -8.9376 -5.8580 -5.8579 -3.6977 -3.6972 -1.8531 -1.8523 0.4739 0.4755 2.1008 2.1020 3.1625 3.1655 3.9792 3.9809 5.5159 5.5165 5.9737 5.9753 6.1724 6.1736 6.6908 6.6914 7.3575 7.3581 8.5510 8.5519 8.9197 8.9216 9.7940 9.7952 14.2658 14.2662 17.8939 17.8972 18.4924 18.4958 19.3338 19.3354 k = 0.1754-0.1850 0.4948 ( 1626 PWs) bands (ev): -8.9697 -8.9697 -5.8637 -5.8636 -3.6703 -3.6698 -1.8126 -1.8118 0.5106 0.5124 2.1712 2.1724 3.0775 3.0805 4.0976 4.0993 5.5073 5.5075 5.9393 5.9402 6.1865 6.1882 6.6716 6.6723 7.2747 7.2753 8.4900 8.4910 8.9134 8.9154 9.7578 9.7591 14.2716 14.2721 17.8207 17.8237 18.4763 18.4794 19.3570 19.3592 k = 0.1674-0.1766 0.4948 ( 1626 PWs) bands (ev): -9.0008 -9.0007 -5.8705 -5.8704 -3.6397 -3.6392 -1.7707 -1.7699 0.5427 0.5446 2.2413 2.2426 2.9941 2.9970 4.2109 4.2127 5.4779 5.4789 5.9109 5.9113 6.2015 6.2038 6.6685 6.6696 7.1938 7.1945 8.4308 8.4318 8.9126 8.9147 9.7230 9.7244 14.2748 14.2753 17.7413 17.7441 18.4603 18.4631 19.3773 19.3798 k = 0.1594-0.1682 0.4948 ( 1628 PWs) bands (ev): -9.0307 -9.0307 -5.8783 -5.8782 -3.6062 -3.6057 -1.7275 -1.7267 0.5692 0.5713 2.3102 2.3117 2.9173 2.9202 4.3116 4.3135 5.4423 5.4439 5.8871 5.8873 6.2043 6.2070 6.6853 6.6867 7.1159 7.1167 8.3734 8.3744 8.9176 8.9198 9.6899 9.6913 14.2755 14.2759 17.6564 17.6589 18.4446 18.4471 19.3974 19.4002 k = 0.1515-0.1598 0.4948 ( 1630 PWs) bands (ev): -9.0595 -9.0595 -5.8868 -5.8868 -3.5701 -3.5696 -1.6833 -1.6824 0.5892 0.5913 2.3764 2.3781 2.8511 2.8540 4.3925 4.3946 5.4119 5.4143 5.8671 5.8677 6.1905 6.1933 6.7184 6.7200 7.0436 7.0445 8.3179 8.3190 8.9286 8.9310 9.6584 9.6599 14.2736 14.2740 17.5666 17.5689 18.4291 18.4314 19.4194 19.4224 k = 0.1435-0.1514 0.4948 ( 1628 PWs) bands (ev): -9.0871 -9.0870 -5.8960 -5.8959 -3.5316 -3.5312 -1.6382 -1.6373 0.6017 0.6039 2.4366 2.4387 2.8004 2.8033 4.4474 4.4498 5.3945 5.3975 5.8517 5.8527 6.1629 6.1658 6.7548 6.7565 6.9837 6.9850 8.2644 8.2656 8.9458 8.9482 9.6287 9.6303 14.2693 14.2697 17.4729 17.4749 18.4141 18.4161 19.4440 19.4471 k = 0.1355-0.1430 0.4948 ( 1628 PWs) bands (ev): -9.1134 -9.1134 -5.9056 -5.9056 -3.4913 -3.4909 -1.5923 -1.5915 0.6060 0.6083 2.4849 2.4875 2.7723 2.7750 4.4728 4.4754 5.3918 5.3953 5.8434 5.8447 6.1270 6.1299 6.7693 6.7708 6.9554 6.9567 8.2128 8.2141 8.9690 8.9715 9.6010 9.6027 14.2627 14.2631 17.3761 17.3780 18.3993 18.4011 19.4715 19.4748 k = 0.1276-0.1346 0.4948 ( 1626 PWs) bands (ev): -9.1384 -9.1384 -5.9155 -5.9155 -3.4495 -3.4491 -1.5460 -1.5451 0.6016 0.6040 2.5137 2.5169 2.7748 2.7774 4.4702 4.4727 5.3980 5.4018 5.8456 5.8471 6.0875 6.0903 6.7429 6.7438 6.9738 6.9747 8.1631 8.1644 8.9979 9.0006 9.5755 9.5773 14.2539 14.2543 17.2774 17.2791 18.3848 18.3865 19.5019 19.5053 k = 0.1196-0.1261 0.4948 ( 1624 PWs) bands (ev): -9.1621 -9.1621 -5.9256 -5.9256 -3.4065 -3.4061 -1.4994 -1.4985 0.5883 0.5907 2.5233 2.5268 2.8082 2.8106 4.4449 4.4475 5.4028 5.4065 5.8614 5.8630 6.0481 6.0508 6.6957 6.6961 7.0168 7.0174 8.1151 8.1165 9.0320 9.0348 9.5524 9.5544 14.2432 14.2436 17.1777 17.1793 18.3706 18.3720 19.5350 19.5385 k = 0.1116-0.1177 0.4948 ( 1616 PWs) bands (ev): -9.1845 -9.1845 -5.9357 -5.9356 -3.3628 -3.3624 -1.4527 -1.4518 0.5664 0.5687 2.5241 2.5276 2.8616 2.8638 4.4039 4.4065 5.3969 5.4003 5.8887 5.8903 6.0127 6.0155 6.6481 6.6484 7.0650 7.0654 8.0687 8.0702 9.0703 9.0733 9.5323 9.5345 14.2308 14.2312 17.0781 17.0795 18.3565 18.3578 19.5705 19.5741 k = 0.1036-0.1093 0.4948 ( 1618 PWs) bands (ev): -9.2054 -9.2054 -5.9456 -5.9456 -3.3188 -3.3184 -1.4061 -1.4052 0.5363 0.5385 2.5253 2.5286 2.9248 2.9269 4.3532 4.3556 5.3770 5.3800 5.9128 5.9141 5.9905 5.9930 6.6106 6.6112 7.1115 7.1118 8.0236 8.0251 9.1114 9.1145 9.5157 9.5181 14.2168 14.2172 16.9795 16.9808 18.3426 18.3438 19.6079 19.6115 k = 0.0957-0.1009 0.4948 ( 1620 PWs) bands (ev): -9.2249 -9.2249 -5.9553 -5.9553 -3.2750 -3.2746 -1.3600 -1.3590 0.4991 0.5013 2.5310 2.5342 2.9924 2.9945 4.2971 4.2996 5.3445 5.3471 5.9086 5.9086 5.9965 5.9979 6.5919 6.5927 7.1539 7.1542 7.9796 7.9812 9.1532 9.1565 9.5038 9.5065 14.2015 14.2018 16.8829 16.8841 18.3290 18.3300 19.6466 19.6503 k = 0.0877-0.0925 0.4948 ( 1620 PWs) bands (ev): -9.2430 -9.2429 -5.9646 -5.9646 -3.2319 -3.2316 -1.3144 -1.3135 0.4561 0.4582 2.5423 2.5453 3.0617 3.0638 4.2389 4.2414 5.3028 5.3051 5.8847 5.8854 6.0085 6.0098 6.5990 6.6000 7.1915 7.1918 7.9363 7.9380 9.1931 9.1965 9.4980 9.5010 14.1853 14.1856 16.7895 16.7905 18.3156 18.3166 19.6863 19.6900 k = 0.0797-0.0841 0.4948 ( 1618 PWs) bands (ev): -9.2595 -9.2595 -5.9735 -5.9734 -3.1900 -3.1897 -1.2697 -1.2688 0.4089 0.4108 2.5589 2.5617 3.1310 3.1333 4.1807 4.1832 5.2552 5.2571 5.8579 5.8587 6.0062 6.0076 6.6335 6.6347 7.2241 7.2243 7.8936 7.8953 9.2277 9.2311 9.5006 9.5037 14.1685 14.1688 16.7001 16.7010 18.3027 18.3036 19.7263 19.7300 k = 0.0717-0.0757 0.4948 ( 1616 PWs) bands (ev): -9.2745 -9.2745 -5.9817 -5.9817 -3.1499 -3.1495 -1.2263 -1.2255 0.3588 0.3606 2.5799 2.5825 3.1994 3.2017 4.1240 4.1266 5.2041 5.2058 5.8310 5.8319 5.9889 5.9904 6.6906 6.6918 7.2519 7.2521 7.8509 7.8527 9.2541 9.2574 9.5132 9.5162 14.1515 14.1518 16.6158 16.6166 18.2905 18.2912 19.7660 19.7697 k = 0.0638-0.0673 0.4948 ( 1612 PWs) bands (ev): -9.2881 -9.2880 -5.9893 -5.9893 -3.1119 -3.1116 -1.1846 -1.1837 0.3076 0.3092 2.6040 2.6064 3.2660 3.2684 4.0699 4.0725 5.1521 5.1535 5.8041 5.8049 5.9630 5.9644 6.7622 6.7634 7.2752 7.2755 7.8079 7.8097 9.2711 9.2739 9.5358 9.5385 14.1346 14.1349 16.5373 16.5381 18.2788 18.2794 19.8048 19.8084 k = 0.0558-0.0589 0.4948 ( 1612 PWs) bands (ev): -9.3000 -9.3000 -5.9962 -5.9962 -3.0768 -3.0765 -1.1449 -1.1441 0.2567 0.2582 2.6297 2.6318 3.3298 3.3324 4.0190 4.0217 5.1009 5.1021 5.7767 5.7774 5.9346 5.9358 6.8416 6.8427 7.2945 7.2950 7.7642 7.7661 9.2799 9.2822 9.5657 9.5680 14.1183 14.1186 16.4658 16.4664 18.2679 18.2684 19.8420 19.8455 k = 0.0478-0.0505 0.4948 ( 1610 PWs) bands (ev): -9.3104 -9.3104 -6.0023 -6.0022 -3.0450 -3.0447 -1.1080 -1.1072 0.2079 0.2092 2.6557 2.6576 3.3903 3.3929 3.9718 3.9746 5.0523 5.0534 5.7486 5.7492 5.9082 5.9092 6.9239 6.9250 7.3103 7.3108 7.7195 7.7214 9.2831 9.2850 9.5989 9.6007 14.1031 14.1033 16.4018 16.4024 18.2580 18.2585 19.8768 19.8800 k = 0.0399-0.0420 0.4948 ( 1612 PWs) bands (ev): -9.3192 -9.3192 -6.0075 -6.0075 -3.0171 -3.0168 -1.0744 -1.0737 0.1628 0.1639 2.6806 2.6822 3.4466 3.4493 3.9286 3.9315 5.0079 5.0088 5.7206 5.7210 5.8860 5.8868 7.0060 7.0070 7.3228 7.3235 7.6733 7.6754 9.2832 9.2846 9.6318 9.6332 14.0892 14.0894 16.3464 16.3468 18.2492 18.2496 19.9084 19.9114 k = 0.0319-0.0336 0.4948 ( 1616 PWs) bands (ev): -9.3265 -9.3265 -6.0118 -6.0118 -2.9934 -2.9933 -1.0450 -1.0444 0.1228 0.1237 2.7031 2.7043 3.4977 3.5004 3.8897 3.8926 4.9691 4.9698 5.6941 5.6944 5.8687 5.8693 7.0858 7.0868 7.3324 7.3334 7.6256 7.6277 9.2818 9.2828 9.6616 9.6627 14.0772 14.0774 16.2999 16.3003 18.2418 18.2421 19.9360 19.9386 k = 0.0239-0.0252 0.4948 ( 1620 PWs) bands (ev): -9.3321 -9.3321 -6.0153 -6.0153 -2.9746 -2.9745 -1.0206 -1.0202 0.0896 0.0903 2.7220 2.7229 3.5427 3.5453 3.8556 3.8583 4.9373 4.9378 5.6711 5.6713 5.8560 5.8564 7.1616 7.1625 7.3392 7.3406 7.5764 7.5785 9.2799 9.2806 9.6866 9.6874 14.0675 14.0676 16.2632 16.2634 18.2358 18.2361 19.9587 19.9608 k = 0.0159-0.0168 0.4948 ( 1620 PWs) bands (ev): -9.3362 -9.3361 -6.0177 -6.0177 -2.9608 -2.9607 -1.0023 -1.0020 0.0647 0.0652 2.7363 2.7370 3.5797 3.5819 3.8273 3.8296 4.9137 4.9140 5.6532 5.6533 5.8474 5.8476 7.2316 7.2324 7.3432 7.3451 7.5268 7.5290 9.2782 9.2787 9.7053 9.7059 14.0604 14.0604 16.2366 16.2368 18.2315 18.2317 19.9759 19.9773 k = 0.0080-0.0084 0.4948 ( 1618 PWs) bands (ev): -9.3386 -9.3386 -6.0192 -6.0192 -2.9525 -2.9524 -0.9909 -0.9907 0.0493 0.0495 2.7453 2.7456 3.6057 3.6071 3.8075 3.8089 4.8991 4.8993 5.6420 5.6420 5.8424 5.8425 7.2914 7.2927 7.3428 7.3456 7.4820 7.4838 9.2772 9.2774 9.7170 9.7173 14.0560 14.0561 16.2206 16.2207 18.2289 18.2290 19.9866 19.9873 k = 0.0000 0.0000 0.4948 ( 1622 PWs) bands (ev): -9.3394 -9.3394 -6.0197 -6.0197 -2.9496 -2.9496 -0.9870 -0.9870 0.0441 0.0441 2.7484 2.7484 3.6159 3.6159 3.8005 3.8005 4.8942 4.8942 5.6381 5.6381 5.8408 5.8408 7.3292 7.3292 7.3343 7.3343 7.4606 7.4606 9.2769 9.2769 9.7210 9.7210 14.0546 14.0546 16.2152 16.2152 18.2281 18.2281 19.9905 19.9905 k = 0.0000 0.0000 0.4948 ( 1622 PWs) bands (ev): -9.3394 -9.3394 -6.0197 -6.0197 -2.9496 -2.9496 -0.9870 -0.9870 0.0441 0.0441 2.7484 2.7484 3.6159 3.6159 3.8005 3.8005 4.8942 4.8942 5.6381 5.6381 5.8408 5.8408 7.3292 7.3292 7.3343 7.3343 7.4606 7.4606 9.2769 9.2769 9.7210 9.7210 14.0546 14.0546 16.2152 16.2152 18.2281 18.2281 19.9905 19.9905 k = 0.0084 0.0080 0.4948 ( 1618 PWs) bands (ev): -9.3385 -9.3385 -6.0195 -6.0194 -2.9531 -2.9530 -0.9830 -0.9830 0.0421 0.0421 2.7423 2.7425 3.6243 3.6244 3.7917 3.7919 4.9028 4.9028 5.6425 5.6426 5.8293 5.8294 7.3202 7.3205 7.3309 7.3310 7.4769 7.4770 9.2769 9.2771 9.7216 9.7216 14.0565 14.0566 16.2191 16.2191 18.2268 18.2268 19.9901 19.9901 k = 0.0168 0.0159 0.4948 ( 1616 PWs) bands (ev): -9.3360 -9.3359 -6.0187 -6.0187 -2.9632 -2.9631 -0.9712 -0.9711 0.0360 0.0360 2.7249 2.7253 3.6487 3.6490 3.7663 3.7666 4.9277 4.9278 5.6558 5.6559 5.7954 5.7957 7.2909 7.2915 7.3338 7.3338 7.5151 7.5151 9.2771 9.2775 9.7234 9.7234 14.0625 14.0626 16.2305 16.2306 18.2232 18.2233 19.9888 19.9888 k = 0.0252 0.0239 0.4948 ( 1616 PWs) bands (ev): -9.3317 -9.3317 -6.0175 -6.0175 -2.9796 -2.9795 -0.9521 -0.9519 0.0258 0.0259 2.6984 2.6988 3.6871 3.6874 3.7265 3.7269 4.9667 4.9668 5.6778 5.6779 5.7410 5.7413 7.2555 7.2562 7.3387 7.3388 7.5633 7.5634 9.2777 9.2783 9.7264 9.7264 14.0724 14.0725 16.2492 16.2494 18.2174 18.2175 19.9859 19.9859 k = 0.0336 0.0318 0.4948 ( 1616 PWs) bands (ev): -9.3257 -9.3257 -6.0158 -6.0158 -3.0017 -3.0017 -0.9262 -0.9260 0.0118 0.0119 2.6654 2.6659 3.6748 3.6751 3.7370 3.7376 5.0170 5.0171 5.6683 5.6687 5.7085 5.7087 7.2166 7.2174 7.3457 7.3457 7.6170 7.6172 9.2787 9.2795 9.7307 9.7307 14.0863 14.0866 16.2746 16.2750 18.2097 18.2098 19.9805 19.9806 k = 0.0420 0.0398 0.4948 ( 1614 PWs) bands (ev): -9.3180 -9.3180 -6.0137 -6.0136 -3.0290 -3.0289 -0.8945 -0.8943 -0.0060 -0.0058 2.6285 2.6291 3.6143 3.6147 3.7955 3.7962 5.0757 5.0758 5.5800 5.5805 5.7478 5.7481 7.1743 7.1752 7.3548 7.3548 7.6736 7.6739 9.2803 9.2813 9.7361 9.7361 14.1044 14.1047 16.3062 16.3066 18.2008 18.2009 19.9715 19.9716 k = 0.0504 0.0478 0.4948 ( 1617 PWs) bands (ev): -9.3087 -9.3086 -6.0112 -6.0111 -3.0604 -3.0603 -0.8581 -0.8578 -0.0274 -0.0273 2.5900 2.5907 3.5472 3.5477 3.8605 3.8612 5.1405 5.1405 5.4789 5.4794 5.7955 5.7959 7.1281 7.1290 7.3658 7.3659 7.7317 7.7321 9.2827 9.2839 9.7427 9.7427 14.1266 14.1269 16.3430 16.3435 18.1912 18.1913 19.9577 19.9577 k = 0.0588 0.0557 0.4948 ( 1615 PWs) bands (ev): -9.2976 -9.2976 -6.0083 -6.0083 -3.0953 -3.0952 -0.8179 -0.8176 -0.0523 -0.0521 2.5519 2.5527 3.4753 3.4758 3.9298 3.9306 5.2095 5.2095 5.3674 5.3680 5.8515 5.8519 7.0773 7.0782 7.3789 7.3790 7.7899 7.7904 9.2861 9.2874 9.7505 9.7505 14.1527 14.1531 16.3842 16.3847 18.1816 18.1817 19.9379 19.9379 k = 0.0672 0.0637 0.4948 ( 1614 PWs) bands (ev): -9.2849 -9.2849 -6.0053 -6.0052 -3.1328 -3.1326 -0.7752 -0.7748 -0.0804 -0.0802 2.5158 2.5166 3.4001 3.4006 4.0017 4.0026 5.2479 5.2486 5.2813 5.2815 5.9152 5.9158 7.0216 7.0226 7.3942 7.3942 7.8473 7.8479 9.2907 9.2921 9.7595 9.7595 14.1827 14.1831 16.4287 16.4293 18.1730 18.1731 19.9113 19.9113 k = 0.0756 0.0716 0.4948 ( 1620 PWs) bands (ev): -9.2706 -9.2705 -6.0020 -6.0019 -3.1721 -3.1719 -0.7311 -0.7306 -0.1115 -0.1113 2.4829 2.4837 3.3225 3.3231 4.0742 4.0751 5.1230 5.1238 5.3549 5.3551 5.9864 5.9871 6.9607 6.9617 7.4115 7.4115 7.9031 7.9038 9.2966 9.2981 9.7696 9.7696 14.2162 14.2167 16.4755 16.4760 18.1659 18.1661 19.8776 19.8776 k = 0.0840 0.0796 0.4948 ( 1613 PWs) bands (ev): -9.2546 -9.2545 -5.9986 -5.9985 -3.2124 -3.2123 -0.6866 -0.6861 -0.1454 -0.1452 2.4543 2.4552 3.2436 3.2441 4.1445 4.1456 4.9958 4.9966 5.4297 5.4300 6.0645 6.0652 6.8947 6.8956 7.4310 7.4311 7.9570 7.9577 9.3040 9.3056 9.7809 9.7809 14.2531 14.2536 16.5235 16.5241 18.1615 18.1617 19.8371 19.8372 k = 0.0924 0.0875 0.4948 ( 1615 PWs) bands (ev): -9.2370 -9.2369 -5.9952 -5.9951 -3.2532 -3.2530 -0.6429 -0.6424 -0.1818 -0.1816 2.4311 2.4320 3.1638 3.1643 4.2080 4.2093 4.8711 4.8722 5.5053 5.5057 6.1489 6.1497 6.8235 6.8244 7.4527 7.4527 8.0085 8.0093 9.3130 9.3147 9.7934 9.7934 14.2927 14.2932 16.5716 16.5722 18.1604 18.1605 19.7904 19.7905 k = 0.1007 0.0955 0.4948 ( 1615 PWs) bands (ev): -9.2178 -9.2178 -5.9919 -5.9918 -3.2937 -3.2936 -0.6010 -0.6005 -0.2205 -0.2203 2.4140 2.4149 3.0836 3.0841 4.2547 4.2562 4.7595 4.7607 5.5814 5.5819 6.2390 6.2399 6.7476 6.7485 7.4766 7.4767 8.0576 8.0584 9.3236 9.3253 9.8069 9.8070 14.3344 14.3349 16.6189 16.6195 18.1633 18.1635 19.7385 19.7386 k = 0.1091 0.1035 0.4948 ( 1617 PWs) bands (ev): -9.1970 -9.1970 -5.9887 -5.9887 -3.3335 -3.3333 -0.5618 -0.5613 -0.2613 -0.2611 2.4037 2.4046 3.0034 3.0039 4.2629 4.2646 4.6826 4.6840 5.6578 5.6583 6.3343 6.3352 6.6675 6.6683 7.5027 7.5028 8.1042 8.1050 9.3359 9.3376 9.8216 9.8216 14.3776 14.3781 16.6646 16.6651 18.1711 18.1713 19.6823 19.6825 k = 0.1175 0.1114 0.4948 ( 1613 PWs) bands (ev): -9.1747 -9.1747 -5.9859 -5.9858 -3.3719 -3.3718 -0.5262 -0.5256 -0.3039 -0.3037 2.4006 2.4016 2.9235 2.9240 4.2094 4.2109 4.6642 4.6653 5.7343 5.7349 6.4342 6.4351 6.5839 6.5847 7.5312 7.5313 8.1484 8.1492 9.3498 9.3515 9.8375 9.8375 14.4216 14.4221 16.7079 16.7084 18.1842 18.1844 19.6231 19.6233 k = 0.1259 0.1194 0.4948 ( 1611 PWs) bands (ev): -9.1510 -9.1509 -5.9834 -5.9834 -3.4087 -3.4085 -0.4949 -0.4943 -0.3481 -0.3478 2.4051 2.4061 2.8442 2.8447 4.1046 4.1056 4.6932 4.6939 5.8108 5.8114 6.4979 6.4987 6.5381 6.5391 7.5621 7.5622 8.1903 8.1911 9.3652 9.3669 9.8544 9.8544 14.4654 14.4659 16.7485 16.7489 18.2031 18.2033 19.5617 19.5619 k = 0.1343 0.1273 0.4948 ( 1611 PWs) bands (ev): -9.1257 -9.1257 -5.9815 -5.9814 -3.4432 -3.4431 -0.4684 -0.4678 -0.3936 -0.3933 2.4172 2.4182 2.7655 2.7661 3.9744 3.9752 4.7430 4.7435 5.8871 5.8877 6.4108 6.4116 6.6457 6.6467 7.5954 7.5954 8.2301 8.2309 9.3821 9.3838 9.8724 9.8724 14.5082 14.5087 16.7859 16.7863 18.2278 18.2281 19.4990 19.4993 k = 0.1427 0.1353 0.4948 ( 1609 PWs) bands (ev): -9.0990 -9.0990 -5.9802 -5.9801 -3.4753 -3.4751 -0.4473 -0.4466 -0.4402 -0.4398 2.4364 2.4374 2.6878 2.6883 3.8337 3.8343 4.7983 4.7986 5.9629 5.9636 6.3245 6.3252 6.7564 6.7575 7.6311 7.6312 8.2680 8.2688 9.4003 9.4020 9.8914 9.8914 14.5491 14.5495 16.8202 16.8205 18.2584 18.2587 19.4360 19.4363 k = 0.1511 0.1433 0.4948 ( 1609 PWs) bands (ev): -9.0709 -9.0709 -5.9796 -5.9795 -3.5045 -3.5043 -0.4878 -0.4875 -0.4314 -0.4308 2.4617 2.4627 2.6111 2.6116 3.6896 3.6902 4.8512 4.8513 6.0382 6.0389 6.2415 6.2421 6.8701 6.8711 7.6693 7.6694 8.3042 8.3050 9.4199 9.4215 9.9115 9.9115 14.5872 14.5876 16.8515 16.8517 18.2944 18.2947 19.3733 19.3736 k = 0.1595 0.1512 0.4948 ( 1607 PWs) bands (ev): -9.0415 -9.0415 -5.9798 -5.9797 -3.5306 -3.5304 -0.5361 -0.5358 -0.4211 -0.4206 2.4912 2.4921 2.5357 2.5361 3.5468 3.5473 4.8961 4.8961 6.1127 6.1134 6.1650 6.1656 6.9862 6.9872 7.7101 7.7102 8.3389 8.3396 9.4405 9.4421 9.9326 9.9326 14.6217 14.6220 16.8802 16.8803 18.3354 18.3358 19.3116 19.3119 k = 0.1679 0.1592 0.4948 ( 1605 PWs) bands (ev): -9.0108 -9.0108 -5.9809 -5.9808 -3.5533 -3.5531 -0.5849 -0.5846 -0.4163 -0.4158 2.4612 2.4617 2.5211 2.5221 3.4101 3.4105 4.9281 4.9282 6.0991 6.0997 6.1861 6.1868 7.1044 7.1054 7.7535 7.7536 8.3724 8.3731 9.4621 9.4637 9.9547 9.9547 14.6518 14.6520 16.9066 16.9067 18.3807 18.3811 19.2515 19.2519 k = 0.1763 0.1671 0.4948 ( 1602 PWs) bands (ev): -8.9788 -8.9788 -5.9829 -5.9828 -3.5725 -3.5723 -0.6340 -0.6337 -0.4167 -0.4161 2.3883 2.3888 2.5446 2.5455 3.2869 3.2872 4.9424 4.9426 6.0485 6.0489 6.2584 6.2590 7.2245 7.2254 7.7996 7.7997 8.4048 8.4055 9.4846 9.4861 9.9777 9.9778 14.6767 14.6769 16.9311 16.9313 18.4294 18.4298 19.1938 19.1942 k = 0.1847 0.1751 0.4948 ( 1602 PWs) bands (ev): -8.9457 -8.9456 -5.9860 -5.9859 -3.5879 -3.5877 -0.6834 -0.6831 -0.4219 -0.4214 2.3167 2.3171 2.5494 2.5502 3.1895 3.1897 4.9350 4.9353 6.0171 6.0175 6.3291 6.3298 7.3460 7.3468 7.8486 7.8486 8.4363 8.4369 9.5079 9.5094 10.0017 10.0018 14.6958 14.6960 16.9542 16.9545 18.4806 18.4810 19.1392 19.1395 k = 0.1931 0.1830 0.4948 ( 1605 PWs) bands (ev): -8.9114 -8.9114 -5.9901 -5.9900 -3.5994 -3.5992 -0.7327 -0.7325 -0.4315 -0.4310 2.2465 2.2470 2.5192 2.5197 3.1338 3.1338 4.9041 4.9045 6.0071 6.0074 6.3981 6.3988 7.4683 7.4691 7.9005 7.9006 8.4671 8.4677 9.5318 9.5333 10.0266 10.0267 14.7086 14.7087 16.9761 16.9766 18.5329 18.5335 19.0885 19.0888 k = 0.2015 0.1910 0.4948 ( 1608 PWs) bands (ev): -8.8761 -8.8760 -5.9952 -5.9951 -3.6070 -3.6068 -0.7820 -0.7817 -0.4450 -0.4445 2.1779 2.1783 2.4460 2.4463 3.1269 3.1271 4.8511 4.8515 6.0175 6.0178 6.4654 6.4660 7.5908 7.5915 7.9560 7.9561 8.4973 8.4978 9.5563 9.5577 10.0524 10.0525 14.7151 14.7151 16.9971 16.9977 18.5850 18.5857 19.0430 19.0431 k = 0.2099 0.1990 0.4948 ( 1611 PWs) bands (ev): -8.8398 -8.8397 -6.0014 -6.0013 -3.6105 -3.6103 -0.8310 -0.8308 -0.4620 -0.4615 2.1107 2.1112 2.3386 2.3387 3.1594 3.1598 4.7800 4.7803 6.0453 6.0455 6.5307 6.5313 7.7123 7.7128 8.0158 8.0160 8.5270 8.5275 9.5813 9.5826 10.0790 10.0791 14.7148 14.7148 17.0172 17.0179 18.6348 18.6357 19.0043 19.0043 k = 0.2183 0.2069 0.4948 ( 1613 PWs) bands (ev): -8.8026 -8.8025 -6.0086 -6.0085 -3.6100 -3.6098 -0.8797 -0.8794 -0.4818 -0.4813 2.0453 2.0457 2.2107 2.2107 3.2160 3.2164 4.6958 4.6962 6.0863 6.0864 6.5940 6.5946 7.8306 7.8309 8.0817 8.0822 8.5563 8.5568 9.6066 9.6078 10.1065 10.1066 14.7077 14.7077 17.0365 17.0373 18.6789 18.6800 18.9753 18.9756 k = 0.2267 0.2149 0.4948 ( 1610 PWs) bands (ev): -8.7645 -8.7645 -6.0166 -6.0165 -3.6056 -3.6053 -0.9278 -0.9275 -0.5040 -0.5036 1.9814 1.9818 2.0721 2.0722 3.2850 3.2856 4.6042 4.6046 6.1367 6.1368 6.6552 6.6558 7.9423 7.9423 8.1570 8.1577 8.5854 8.5859 9.6322 9.6334 10.1347 10.1348 14.6938 14.6940 17.0548 17.0556 18.7121 18.7136 18.9611 18.9617 k = 0.2351 0.2228 0.4948 ( 1606 PWs) bands (ev): -8.7257 -8.7257 -6.0255 -6.0254 -3.5971 -3.5969 -0.9753 -0.9750 -0.5281 -0.5277 1.9192 1.9196 1.9281 1.9283 3.3581 3.3586 4.5113 4.5117 6.1934 6.1936 6.7142 6.7147 8.0424 8.0427 8.2456 8.2465 8.6143 8.6147 9.6581 9.6592 10.1637 10.1638 14.6735 14.6737 17.0719 17.0728 18.7293 18.7312 18.9666 18.9675 k = 0.2435 0.2308 0.4948 ( 1606 PWs) bands (ev): -8.6863 -8.6863 -6.0352 -6.0351 -3.5849 -3.5847 -1.0221 -1.0219 -0.5537 -0.5533 1.7818 1.7820 1.8588 1.8592 3.4269 3.4274 4.4243 4.4247 6.2543 6.2544 6.7711 6.7716 8.1292 8.1297 8.3494 8.3505 8.6430 8.6434 9.6841 9.6851 10.1933 10.1935 14.6467 14.6470 17.0875 17.0885 18.7308 18.7328 18.9913 18.9923 k = 0.2519 0.2388 0.4948 ( 1606 PWs) bands (ev): -8.6464 -8.6463 -6.0454 -6.0453 -3.5689 -3.5687 -1.0681 -1.0679 -0.5803 -0.5800 1.6347 1.6350 1.8000 1.8004 3.4813 3.4817 4.3533 4.3535 6.3175 6.3177 6.8258 6.8262 8.2051 8.2057 8.4654 8.4666 8.6716 8.6719 9.7101 9.7111 10.2236 10.2238 14.6139 14.6142 17.1015 17.1026 18.7229 18.7249 19.0285 19.0294 k = 0.2603 0.2467 0.4948 ( 1605 PWs) bands (ev): -8.6060 -8.6060 -6.0561 -6.0560 -3.5494 -3.5492 -1.1132 -1.1130 -0.6076 -0.6073 1.4881 1.4884 1.7431 1.7434 3.5083 3.5086 4.3111 4.3112 6.3819 6.3821 6.8783 6.8787 8.2743 8.2749 8.5891 8.5902 8.7001 8.7004 9.7361 9.7371 10.2545 10.2547 14.5753 14.5756 17.1137 17.1149 18.7118 18.7137 19.0716 19.0725 k = 0.2687 0.2547 0.4948 ( 1609 PWs) bands (ev): -8.5654 -8.5653 -6.0670 -6.0670 -3.5265 -3.5263 -1.1574 -1.1572 -0.6352 -0.6349 1.3427 1.3430 1.6878 1.6882 3.4964 3.4966 4.3092 4.3093 6.4466 6.4467 6.9287 6.9291 8.3393 8.3399 8.7172 8.7182 8.7286 8.7288 9.7620 9.7629 10.2859 10.2861 14.5313 14.5317 17.1239 17.1251 18.7010 18.7028 19.1167 19.1174 k = 0.2771 0.2626 0.4948 ( 1608 PWs) bands (ev): -8.5246 -8.5245 -6.0782 -6.0781 -3.5005 -3.5002 -1.2005 -1.2002 -0.6627 -0.6624 1.1990 1.1993 1.6345 1.6348 3.4442 3.4444 4.3490 4.3490 6.5108 6.5109 6.9771 6.9775 8.4018 8.4024 8.7569 8.7571 8.8478 8.8487 9.7878 9.7886 10.3177 10.3180 14.4824 14.4827 17.1322 17.1334 18.6922 18.6939 19.1615 19.1622 k = 0.2854 0.2706 0.4948 ( 1606 PWs) bands (ev): -8.4837 -8.4836 -6.0893 -6.0892 -3.4715 -3.4712 -1.2424 -1.2422 -0.6899 -0.6896 1.0576 1.0579 1.5829 1.5832 3.3608 3.3609 4.4213 4.4215 6.5741 6.5742 7.0235 7.0239 8.4624 8.4629 8.7852 8.7854 8.9795 8.9804 9.8133 9.8141 10.3500 10.3503 14.4288 14.4292 17.1383 17.1396 18.6861 18.6878 19.2048 19.2054 k = 0.2938 0.2786 0.4948 ( 1608 PWs) bands (ev): -8.4429 -8.4429 -6.1003 -6.1002 -3.4398 -3.4395 -1.2832 -1.2830 -0.7165 -0.7162 0.9187 0.9191 1.5332 1.5335 3.2570 3.2570 4.5154 4.5156 6.6359 6.6360 7.0679 7.0683 8.5213 8.5217 8.8135 8.8136 9.1117 9.1125 9.8385 9.8392 10.3826 10.3830 14.3708 14.3712 17.1425 17.1437 18.6832 18.6848 19.2455 19.2459 k = 0.3022 0.2865 0.4948 ( 1610 PWs) bands (ev): -8.4024 -8.4023 -6.1109 -6.1108 -3.4057 -3.4054 -1.3228 -1.3226 -0.7421 -0.7418 0.7828 0.7832 1.4854 1.4857 3.1407 3.1407 4.6231 4.6233 6.6960 6.6962 7.1105 7.1108 8.5786 8.5790 8.8417 8.8418 9.2438 9.2444 9.8633 9.8640 10.4155 10.4159 14.3089 14.3093 17.1447 17.1460 18.6833 18.6849 19.2830 19.2833 k = 0.3106 0.2945 0.4948 ( 1608 PWs) bands (ev): -8.3622 -8.3622 -6.1211 -6.1210 -3.3694 -3.3691 -1.3610 -1.3608 -0.7666 -0.7663 0.6502 0.6506 1.4394 1.4397 3.0170 3.0170 4.7394 4.7397 6.7542 6.7543 7.1511 7.1514 8.6343 8.6347 8.8698 8.8699 9.3751 9.3756 9.8877 9.8883 10.4485 10.4490 14.2435 14.2440 17.1452 17.1464 18.6865 18.6880 19.3163 19.3165 k = 0.3190 0.3024 0.4948 ( 1612 PWs) bands (ev): -8.3226 -8.3226 -6.1306 -6.1306 -3.3313 -3.3309 -1.3979 -1.3977 -0.7897 -0.7894 0.5211 0.5215 1.3954 1.3956 2.8888 2.8888 4.8611 4.8613 6.8101 6.8102 7.1899 7.1902 8.6882 8.6886 8.8978 8.8979 9.5053 9.5057 9.9115 9.9121 10.4817 10.4823 14.1750 14.1754 17.1441 17.1453 18.6924 18.6939 19.3445 19.3445 k = 0.3274 0.3104 0.4948 ( 1618 PWs) bands (ev): -8.2837 -8.2837 -6.1395 -6.1394 -3.2917 -3.2913 -1.4334 -1.4332 -0.8112 -0.8110 0.3960 0.3964 1.3531 1.3534 2.7581 2.7581 4.9860 4.9863 6.8636 6.8638 7.2269 7.2271 8.7405 8.7408 8.9257 8.9257 9.6339 9.6342 9.9347 9.9352 10.5150 10.5156 14.1038 14.1042 17.1415 17.1427 18.7007 18.7021 19.3661 19.3663 k = 0.3358 0.3183 0.4948 ( 1620 PWs) bands (ev): -8.2457 -8.2457 -6.1475 -6.1474 -3.2508 -3.2504 -1.4675 -1.4673 -0.8308 -0.8306 0.2750 0.2754 1.3129 1.3131 2.6262 2.6262 5.1128 5.1131 6.9146 6.9147 7.2621 7.2623 8.7908 8.7912 8.9534 8.9534 9.7603 9.7604 9.9572 9.9577 10.5484 10.5491 14.0302 14.0307 17.1378 17.1389 18.7113 18.7126 19.3794 19.3799 k = 0.3442 0.3263 0.4948 ( 1618 PWs) bands (ev): -8.2087 -8.2086 -6.1545 -6.1545 -3.2091 -3.2087 -1.5000 -1.4998 -0.8484 -0.8482 0.1586 0.1590 1.2746 1.2748 2.4940 2.4940 5.2403 5.2405 6.9630 6.9631 7.2955 7.2957 8.8393 8.8396 8.9809 8.9809 9.8840 9.8841 9.9789 9.9793 10.5818 10.5827 13.9549 13.9554 17.1330 17.1341 18.7238 18.7251 19.3825 19.3832 k = 0.3526 0.3343 0.4948 ( 1618 PWs) bands (ev): -8.1729 -8.1728 -6.1606 -6.1605 -3.1669 -3.1665 -1.5311 -1.5309 -0.8638 -0.8636 0.0469 0.0474 1.2382 1.2384 2.3623 2.3623 5.3675 5.3677 7.0085 7.0086 7.3271 7.3273 8.8857 8.8860 9.0081 9.0082 9.9994 10.0002 10.0043 10.0049 10.6154 10.6165 13.8782 13.8786 17.1273 17.1283 18.7380 18.7393 19.3733 19.3742 k = 0.3610 0.3422 0.4948 ( 1615 PWs) bands (ev): -8.1384 -8.1383 -6.1656 -6.1655 -3.1245 -3.1241 -1.5605 -1.5604 -0.8768 -0.8765 -0.0596 -0.0591 1.2038 1.2040 2.2315 2.2315 5.4936 5.4939 7.0512 7.0513 7.3570 7.3572 8.9300 8.9303 9.0351 9.0353 10.0198 10.0201 10.1204 10.1209 10.6494 10.6506 13.8006 13.8011 17.1207 17.1217 18.7537 18.7548 19.3509 19.3519 k = 0.3694 0.3502 0.4948 ( 1615 PWs) bands (ev): -8.1053 -8.1053 -6.1695 -6.1695 -3.0824 -3.0820 -1.5884 -1.5883 -0.8871 -0.8869 -0.1606 -0.1601 1.1713 1.1715 2.1022 2.1022 5.6180 5.6182 7.0910 7.0911 7.3850 7.3852 8.9722 8.9724 9.0618 9.0620 10.0388 10.0391 10.2315 10.2323 10.6841 10.6856 13.7227 13.7231 17.1135 17.1144 18.7704 18.7715 19.3165 19.3176 k = 0.3778 0.3581 0.4948 ( 1615 PWs) bands (ev): -8.0739 -8.0739 -6.1724 -6.1724 -3.0410 -3.0405 -1.6147 -1.6146 -0.8949 -0.8947 -0.2558 -0.2554 1.1408 1.1409 1.9748 1.9749 5.7397 5.7399 7.1278 7.1279 7.4113 7.4114 9.0122 9.0124 9.0881 9.0883 10.0567 10.0569 10.3363 10.3373 10.7202 10.7219 13.6450 13.6454 17.1056 17.1065 18.7882 18.7892 19.2732 19.2742 k = 0.3862 0.3661 0.4948 ( 1617 PWs) bands (ev): -8.0443 -8.0442 -6.1743 -6.1743 -3.0005 -3.0001 -1.6393 -1.6392 -0.8999 -0.8997 -0.3449 -0.3444 1.1122 1.1124 1.8498 1.8499 5.8582 5.8584 7.1616 7.1617 7.4357 7.4358 9.0501 9.0503 9.1140 9.1142 10.0735 10.0737 10.4330 10.4344 10.7588 10.7608 13.5681 13.5685 17.0972 17.0979 18.8067 18.8077 19.2242 19.2251 k = 0.3946 0.3741 0.4948 ( 1621 PWs) bands (ev): -8.0165 -8.0164 -6.1752 -6.1752 -2.9614 -2.9610 -1.6623 -1.6622 -0.9022 -0.9020 -0.4274 -0.4269 1.0856 1.0858 1.7277 1.7278 5.9727 5.9728 7.1924 7.1924 7.4582 7.4583 9.0857 9.0858 9.1394 9.1396 10.0891 10.0893 10.5196 10.5213 10.8015 10.8038 13.4928 13.4932 17.0881 17.0888 18.8258 18.8267 19.1728 19.1736 k = 0.4030 0.3820 0.4948 ( 1619 PWs) bands (ev): -7.9906 -7.9906 -6.1753 -6.1753 -2.9241 -2.9236 -1.6836 -1.6835 -0.9021 -0.9019 -0.5029 -0.5024 1.0610 1.0612 1.6090 1.6091 6.0825 6.0826 7.2201 7.2201 7.4789 7.4790 9.1191 9.1192 9.1642 9.1644 10.1035 10.1036 10.5936 10.5955 10.8500 10.8526 13.4197 13.4201 17.0786 17.0792 18.8454 18.8463 19.1212 19.1219 k = 0.4114 0.3900 0.4948 ( 1619 PWs) bands (ev): -7.9668 -7.9668 -6.1747 -6.1747 -2.8887 -2.8883 -1.7032 -1.7031 -0.9001 -0.9000 -0.5705 -0.5700 1.0384 1.0385 1.4941 1.4942 6.1868 6.1869 7.2447 7.2448 7.4976 7.4977 9.1503 9.1504 9.1884 9.1887 10.1164 10.1165 10.6538 10.6558 10.9051 10.9077 13.3495 13.3499 17.0684 17.0690 18.8652 18.8660 19.0712 19.0717 k = 0.4198 0.3979 0.4948 ( 1621 PWs) bands (ev): -7.9451 -7.9451 -6.1735 -6.1735 -2.8555 -2.8551 -1.7210 -1.7209 -0.8973 -0.8971 -0.6295 -0.6290 1.0178 1.0179 1.3837 1.3839 6.2849 6.2849 7.2663 7.2664 7.5144 7.5145 9.1792 9.1793 9.2119 9.2121 10.1281 10.1281 10.7011 10.7030 10.9652 10.9676 13.2831 13.2834 17.0577 17.0583 18.8852 18.8859 19.0239 19.0243 k = 0.4282 0.4059 0.4948 ( 1621 PWs) bands (ev): -7.9256 -7.9256 -6.1719 -6.1719 -2.8247 -2.8243 -1.7371 -1.7370 -0.8953 -0.8951 -0.6780 -0.6775 0.9992 0.9993 1.2785 1.2787 6.3759 6.3759 7.2850 7.2850 7.5293 7.5293 9.2059 9.2060 9.2346 9.2348 10.1382 10.1382 10.7382 10.7399 11.0271 11.0292 13.2213 13.2216 17.0464 17.0470 18.9050 18.9056 18.9803 18.9807 k = 0.4366 0.4139 0.4948 ( 1623 PWs) bands (ev): -7.9082 -7.9082 -6.1701 -6.1701 -2.7964 -2.7960 -1.7514 -1.7514 -0.8971 -0.8969 -0.7137 -0.7132 0.9825 0.9826 1.1793 1.1795 6.4590 6.4591 7.3007 7.3007 7.5421 7.5422 9.2304 9.2305 9.2564 9.2566 10.1467 10.1468 10.7677 10.7691 11.0874 11.0892 13.1649 13.1652 17.0345 17.0350 18.9235 18.9236 18.9421 18.9429 k = 0.4450 0.4218 0.4948 ( 1621 PWs) bands (ev): -7.8931 -7.8931 -6.1683 -6.1683 -2.7705 -2.7701 -1.7640 -1.7639 -0.9053 -0.9051 -0.7344 -0.7340 0.9679 0.9680 1.0871 1.0873 6.5335 6.5335 7.3135 7.3136 7.5529 7.5530 9.2528 9.2528 9.2772 9.2774 10.1537 10.1538 10.7914 10.7926 11.1435 11.1450 13.1148 13.1150 17.0220 17.0225 18.9043 18.9045 18.9460 18.9468 k = 0.4534 0.4298 0.4948 ( 1625 PWs) bands (ev): -7.8802 -7.8802 -6.1666 -6.1666 -2.7470 -2.7467 -1.7748 -1.7747 -0.9202 -0.9200 -0.7410 -0.7406 0.9553 0.9553 1.0030 1.0032 6.5986 6.5986 7.3237 7.3238 7.5617 7.5618 9.2729 9.2729 9.2968 9.2969 10.1590 10.1591 10.8107 10.8117 11.1937 11.1950 13.0717 13.0720 17.0087 17.0091 18.8748 18.8750 18.9648 18.9655 k = 0.4618 0.4377 0.4948 ( 1625 PWs) bands (ev): -7.8696 -7.8695 -6.1653 -6.1653 -2.7258 -2.7255 -1.7837 -1.7837 -0.9384 -0.9382 -0.7378 -0.7375 0.9282 0.9284 0.9447 0.9447 6.6535 6.6535 7.3313 7.3314 7.5685 7.5685 9.2907 9.2908 9.3151 9.3152 10.1626 10.1627 10.8263 10.8271 11.2369 11.2378 13.0366 13.0368 16.9948 16.9952 18.8501 18.8504 18.9836 18.9842 k = 0.4701 0.4457 0.4948 ( 1627 PWs) bands (ev): -7.8611 -7.8611 -6.1645 -6.1645 -2.7067 -2.7064 -1.7909 -1.7909 -0.9564 -0.9561 -0.7299 -0.7296 0.8642 0.8644 0.9360 0.9361 6.6974 6.6975 7.3366 7.3367 7.5731 7.5732 9.3064 9.3064 9.3319 9.3320 10.1644 10.1645 10.8387 10.8393 11.2720 11.2728 13.0100 13.0102 16.9802 16.9805 18.8307 18.8310 19.0019 19.0025 k = 0.4785 0.4536 0.4948 ( 1619 PWs) bands (ev): -7.8550 -7.8549 -6.1643 -6.1643 -2.6894 -2.6891 -1.7963 -1.7963 -0.9719 -0.9717 -0.7209 -0.7207 0.8125 0.8128 0.9294 0.9294 6.7298 6.7299 7.3398 7.3399 7.5758 7.5758 9.3199 9.3199 9.3472 9.3473 10.1645 10.1645 10.8480 10.8484 11.2987 11.2992 12.9928 12.9929 16.9650 16.9653 18.8167 18.8171 19.0196 19.0202 k = 0.5000 0.4740-0.0453 ( 1616 PWs) bands (ev): -8.3315 -8.3315 -6.3987 -6.3987 -3.6561 -3.6561 -2.7616 -2.7616 1.3970 1.3970 2.1120 2.1120 4.0158 4.0158 4.5144 4.5144 4.5247 4.5247 5.0793 5.0793 5.4245 5.4245 5.5863 5.5863 7.2109 7.2109 8.1908 8.1908 10.2244 10.2244 11.1307 11.1307 14.4293 14.4293 17.9786 17.9786 18.4600 18.4600 19.6392 19.6392 k = 0.5061 0.4676-0.0453 ( 1616 PWs) bands (ev): -8.3322 -8.3322 -6.3984 -6.3984 -3.6592 -3.6592 -2.7562 -2.7561 1.3953 1.3954 2.1119 2.1120 4.0135 4.0138 4.5091 4.5117 4.5278 4.5307 5.0792 5.0792 5.4227 5.4230 5.5935 5.5941 7.2102 7.2103 8.1880 8.1880 10.2216 10.2216 11.1314 11.1315 14.4285 14.4285 17.9798 17.9799 18.4598 18.4602 19.6384 19.6389 k = 0.5122 0.4611-0.0453 ( 1614 PWs) bands (ev): -8.3344 -8.3344 -6.3976 -6.3976 -3.6684 -3.6683 -2.7402 -2.7400 1.3905 1.3907 2.1120 2.1122 4.0072 4.0078 4.5030 4.5058 4.5352 4.5385 5.0793 5.0794 5.4187 5.4192 5.6145 5.6154 7.2083 7.2084 8.1797 8.1798 10.2132 10.2133 11.1338 11.1338 14.4263 14.4263 17.9833 17.9837 18.4596 18.4604 19.6367 19.6376 k = 0.5183 0.4547-0.0453 ( 1616 PWs) bands (ev): -8.3380 -8.3380 -6.3963 -6.3963 -3.6829 -3.6827 -2.7142 -2.7140 1.3827 1.3829 2.1121 2.1123 3.9968 3.9976 4.4979 4.5007 4.5424 4.5459 5.0809 5.0810 5.4145 5.4151 5.6462 5.6474 7.2051 7.2053 8.1661 8.1661 10.1994 10.1995 11.1377 11.1377 14.4225 14.4225 17.9891 17.9896 18.4594 18.4607 19.6339 19.6352 k = 0.5244 0.4483-0.0453 ( 1624 PWs) bands (ev): -8.3430 -8.3430 -6.3944 -6.3944 -3.7017 -3.7015 -2.6794 -2.6791 1.3717 1.3720 2.1122 2.1125 3.9826 3.9836 4.4942 4.4968 4.5483 4.5519 5.0854 5.0856 5.4115 5.4120 5.6858 5.6873 7.2008 7.2010 8.1470 8.1471 10.1800 10.1802 11.1432 11.1432 14.4172 14.4172 17.9965 17.9972 18.4595 18.4613 19.6300 19.6318 k = 0.4756-0.5017-0.0000 ( 1624 PWs) bands (ev): -8.3430 -8.3430 -6.3944 -6.3944 -3.7017 -3.7015 -2.6794 -2.6791 1.3717 1.3720 2.1122 2.1125 3.9826 3.9836 4.4942 4.4968 4.5483 4.5519 5.0854 5.0856 5.4115 5.4120 5.6858 5.6873 7.2008 7.2010 8.1470 8.1471 10.1800 10.1802 11.1432 11.1432 14.4172 14.4172 17.9965 17.9972 18.4595 18.4613 19.6300 19.6318 k = 0.4677-0.4934-0.0000 ( 1624 PWs) bands (ev): -8.3518 -8.3518 -6.3912 -6.3911 -3.7309 -3.7307 -2.6225 -2.6222 1.3532 1.3536 2.1125 2.1129 3.9587 3.9599 4.4916 4.4940 4.5531 4.5568 5.0983 5.0985 5.4100 5.4106 5.7461 5.7479 7.1935 7.1938 8.1147 8.1149 10.1469 10.1471 11.1526 11.1526 14.4081 14.4081 18.0078 18.0087 18.4607 18.4630 19.6235 19.6259 k = 0.4598-0.4850-0.0000 ( 1626 PWs) bands (ev): -8.3629 -8.3629 -6.3869 -6.3868 -3.7635 -3.7633 -2.5547 -2.5544 1.3301 1.3306 2.1128 2.1133 3.9291 3.9306 4.4913 4.4935 4.5543 4.5580 5.1212 5.1214 5.4117 5.4122 5.8132 5.8151 7.1846 7.1850 8.0744 8.0746 10.1051 10.1054 11.1645 11.1646 14.3964 14.3965 18.0194 18.0203 18.4637 18.4667 19.6151 19.6181 k = 0.4519-0.4767-0.0000 ( 1630 PWs) bands (ev): -8.3764 -8.3764 -6.3816 -6.3815 -3.7976 -3.7974 -2.4781 -2.4777 1.3029 1.3034 2.1131 2.1137 3.8946 3.8961 4.4929 4.4947 4.5524 4.5560 5.1549 5.1552 5.4165 5.4169 5.8845 5.8866 7.1744 7.1749 8.0268 8.0269 10.0549 10.0553 11.1788 11.1789 14.3823 14.3823 18.0291 18.0300 18.4695 18.4731 19.6046 19.6082 k = 0.4439-0.4683-0.0000 ( 1626 PWs) bands (ev): -8.3924 -8.3924 -6.3751 -6.3751 -3.8318 -3.8315 -2.3943 -2.3938 1.2719 1.2725 2.1133 2.1140 3.8558 3.8574 4.4956 4.4968 4.5495 4.5526 5.1987 5.1989 5.4243 5.4247 5.9580 5.9602 7.1634 7.1639 7.9728 7.9730 9.9970 9.9974 11.1955 11.1956 14.3658 14.3658 18.0348 18.0357 18.4788 18.4832 19.5918 19.5960 k = 0.4360-0.4599-0.0000 ( 1620 PWs) bands (ev): -8.4107 -8.4107 -6.3675 -6.3674 -3.8648 -3.8645 -2.3045 -2.3040 1.2377 1.2384 2.1136 2.1143 3.8134 3.8150 4.4977 4.4981 4.5480 4.5503 5.2504 5.2507 5.4360 5.4364 6.0315 6.0338 7.1519 7.1526 7.9137 7.9138 9.9317 9.9322 11.2144 11.2144 14.3468 14.3468 18.0348 18.0355 18.4920 18.4971 19.5761 19.5808 k = 0.4281-0.4516-0.0000 ( 1624 PWs) bands (ev): -8.4313 -8.4313 -6.3586 -6.3585 -3.8961 -3.8958 -2.2099 -2.2094 1.2008 1.2016 2.1137 2.1146 3.7682 3.7698 4.4967 4.4977 4.5506 4.5519 5.3061 5.3064 5.4539 5.4543 6.1030 6.1055 7.1404 7.1412 7.8509 7.8511 9.8596 9.8602 11.2352 11.2353 14.3253 14.3254 18.0279 18.0283 18.5082 18.5140 19.5568 19.5621 k = 0.4201-0.4432-0.0000 ( 1628 PWs) bands (ev): -8.4543 -8.4542 -6.3484 -6.3483 -3.9250 -3.9246 -2.1114 -2.1108 1.1617 1.1626 2.1135 2.1145 3.7210 3.7226 4.4926 4.4945 4.5582 4.5589 5.3586 5.3587 5.4838 5.4843 6.1702 6.1729 7.1293 7.1301 7.7868 7.7870 9.7815 9.7821 11.2580 11.2580 14.3014 14.3015 18.0136 18.0138 18.5260 18.5324 19.5336 19.5393 k = 0.4122-0.4348-0.0000 ( 1630 PWs) bands (ev): -8.4794 -8.4794 -6.3369 -6.3367 -3.9511 -3.9507 -2.0098 -2.0091 1.1209 1.1219 2.1131 2.1142 3.6726 3.6742 4.4867 4.4892 4.5701 4.5708 5.3980 5.3982 5.5339 5.5346 6.2308 6.2335 7.1184 7.1193 7.7243 7.7245 9.6981 9.6988 11.2824 11.2825 14.2752 14.2753 17.9924 17.9925 18.5427 18.5496 19.5061 19.5122 k = 0.4043-0.4265-0.0000 ( 1630 PWs) bands (ev): -8.5067 -8.5067 -6.3238 -6.3237 -3.9741 -3.9737 -1.9057 -1.9049 1.0790 1.0801 2.1123 2.1135 3.6236 3.6252 4.4802 4.4831 4.5854 4.5862 5.4239 5.4242 5.6036 5.6044 6.2820 6.2849 7.1068 7.1076 7.6676 7.6679 9.6101 9.6108 11.3084 11.3085 14.2468 14.2469 17.9649 17.9651 18.5552 18.5626 19.4746 19.4809 k = 0.3964-0.4181-0.0000 ( 1628 PWs) bands (ev): -8.5361 -8.5361 -6.3092 -6.3091 -3.9938 -3.9934 -1.7998 -1.7990 1.0365 1.0377 2.1113 2.1126 3.5750 3.5765 4.4737 4.4768 4.6034 4.6043 5.4425 5.4429 5.6854 5.6863 6.3214 6.3244 7.0918 7.0926 7.6225 7.6230 9.5185 9.5192 11.3357 11.3358 14.2162 14.2163 17.9319 17.9324 18.5604 18.5680 19.4398 19.4462 k = 0.3884-0.4098-0.0000 ( 1630 PWs) bands (ev): -8.5674 -8.5674 -6.2930 -6.2929 -4.0102 -4.0098 -1.6927 -1.6919 0.9939 0.9952 2.1098 2.1112 3.5271 3.5287 4.4674 4.4705 4.6238 4.6247 5.4577 5.4583 5.7741 5.7750 6.3471 6.3501 7.0695 7.0701 7.5957 7.5963 9.4240 9.4248 11.3642 11.3643 14.1835 14.1837 17.8945 17.8951 18.5551 18.5627 19.4031 19.4094 k = 0.3805-0.4014-0.0000 ( 1634 PWs) bands (ev): -8.6007 -8.6007 -6.2752 -6.2750 -4.0232 -4.0228 -1.5853 -1.5843 0.9517 0.9531 2.1079 2.1094 3.4806 3.4822 4.4611 4.4643 4.6463 4.6472 5.4709 5.4717 5.8669 5.8678 6.3583 6.3611 7.0366 7.0370 7.5924 7.5931 9.3278 9.3286 11.3936 11.3937 14.1488 14.1490 17.8532 17.8540 18.5369 18.5444 19.3661 19.3719 k = 0.3726-0.3930-0.0000 ( 1632 PWs) bands (ev): -8.6356 -8.6356 -6.2557 -6.2555 -4.0328 -4.0324 -1.4780 -1.4770 0.9105 0.9120 2.1057 2.1074 3.4360 3.4376 4.4548 4.4581 4.6708 4.6715 5.4826 5.4835 5.9616 5.9624 6.3556 6.3581 6.9928 6.9931 7.6137 7.6145 9.2310 9.2319 11.4239 11.4240 14.1123 14.1124 17.8088 17.8097 18.5045 18.5115 19.3300 19.3352 k = 0.3647-0.3847-0.0000 ( 1630 PWs) bands (ev): -8.6722 -8.6722 -6.2345 -6.2343 -4.0389 -4.0385 -1.3718 -1.3707 0.8708 0.8725 2.1033 2.1050 3.3937 3.3953 4.4481 4.4514 4.6970 4.6977 5.4924 5.4935 6.0553 6.0559 6.3414 6.3433 6.9415 6.9419 7.6563 7.6572 9.1351 9.1360 11.4548 11.4549 14.0738 14.0740 17.7617 17.7628 18.4575 18.4640 19.2955 19.2999 k = 0.3567-0.3763-0.0000 ( 1630 PWs) bands (ev): -8.7103 -8.7103 -6.2115 -6.2113 -4.0417 -4.0413 -1.2675 -1.2663 0.8332 0.8350 2.1006 2.1025 3.3540 3.3555 4.4407 4.4442 4.7248 4.7254 5.4999 5.5012 6.1409 6.1418 6.3230 6.3234 6.8873 6.8880 7.7152 7.7160 9.0417 9.0425 11.4861 11.4863 14.0336 14.0338 17.7125 17.7137 18.3970 18.4028 19.2621 19.2657 k = 0.3488-0.3679-0.0000 ( 1626 PWs) bands (ev): -8.7498 -8.7497 -6.1868 -6.1866 -4.0413 -4.0409 -1.1660 -1.1647 0.7983 0.8001 2.0981 2.1000 3.3172 3.3187 4.4324 4.4359 4.7541 4.7546 5.5043 5.5059 6.1912 6.1947 6.3244 6.3276 6.8351 6.8361 7.7851 7.7860 8.9529 8.9538 11.5178 11.5180 13.9918 13.9920 17.6616 17.6629 18.3246 18.3297 19.2293 19.2321 k = 0.3409-0.3596-0.0000 ( 1626 PWs) bands (ev): -8.7904 -8.7904 -6.1604 -6.1602 -4.0376 -4.0372 -1.0684 -1.0669 0.7665 0.7684 2.0959 2.0980 3.2835 3.2850 4.4226 4.4262 4.7846 4.7851 5.5046 5.5065 6.1778 6.1819 6.3783 6.3828 6.7893 6.7909 7.8615 7.8624 8.8714 8.8723 11.5496 11.5498 13.9484 13.9487 17.6094 17.6107 18.2423 18.2467 19.1960 19.1981 k = 0.3329-0.3512-0.0000 ( 1626 PWs) bands (ev): -8.8321 -8.8320 -6.1322 -6.1320 -4.0308 -4.0304 -0.9755 -0.9740 0.7384 0.7405 2.0944 2.0966 3.2529 3.2544 4.4109 4.4147 4.8162 4.8167 5.4995 5.5017 6.1364 6.1397 6.4448 6.4497 6.7569 6.7591 7.9401 7.9410 8.8010 8.8019 11.5814 11.5816 13.9036 13.9039 17.5560 17.5574 18.1522 18.1559 19.1613 19.1628 k = 0.3250-0.3429-0.0000 ( 1624 PWs) bands (ev): -8.8746 -8.8746 -6.1023 -6.1022 -4.0211 -4.0206 -0.8888 -0.8871 0.7147 0.7169 2.0941 2.0964 3.2257 3.2272 4.3969 4.4008 4.8486 4.8490 5.4877 5.4903 6.0887 6.0914 6.4914 6.4965 6.7495 6.7522 8.0165 8.0175 8.7464 8.7474 11.6131 11.6133 13.8575 13.8577 17.5019 17.5034 18.0560 18.0592 19.1244 19.1256 k = 0.3171-0.3345-0.0000 ( 1624 PWs) bands (ev): -8.9180 -8.9179 -6.0708 -6.0706 -4.0084 -4.0079 -0.8091 -0.8074 0.6956 0.6979 2.0954 2.0978 3.2017 3.2033 4.3800 4.3841 4.8812 4.8816 5.4683 5.4713 6.0422 6.0443 6.5032 6.5077 6.7765 6.7789 8.0857 8.0868 8.7141 8.7151 11.6445 11.6447 13.8100 13.8103 17.4471 17.4487 17.9553 17.9580 19.0850 19.0860 k = 0.3092-0.3261-0.0000 ( 1624 PWs) bands (ev): -8.9619 -8.9619 -6.0376 -6.0374 -3.9929 -3.9925 -0.7377 -0.7358 0.6814 0.6837 2.0990 2.1015 3.1811 3.1826 4.3597 4.3640 4.9135 4.9140 5.4414 5.4447 6.0004 6.0020 6.4880 6.4917 6.8258 6.8276 8.1438 8.1450 8.7102 8.7111 11.6756 11.6758 13.7613 13.7616 17.3920 17.3937 17.8514 17.8537 19.0426 19.0434 k = 0.3012-0.3178-0.0000 ( 1622 PWs) bands (ev): -9.0062 -9.0062 -6.0028 -6.0026 -3.9747 -3.9743 -0.6753 -0.6734 0.6720 0.6745 2.1052 2.1079 3.1638 3.1654 4.3355 4.3399 4.9444 4.9451 5.4084 5.4120 5.9645 5.9656 6.4605 6.4635 6.8787 6.8804 8.1906 8.1919 8.7375 8.7384 11.7061 11.7064 13.7116 13.7119 17.3368 17.3385 17.7454 17.7473 18.9969 18.9977 k = 0.2933-0.3094-0.0000 ( 1626 PWs) bands (ev): -9.0509 -9.0509 -5.9664 -5.9662 -3.9540 -3.9536 -0.6225 -0.6205 0.6672 0.6696 2.1145 2.1174 3.1499 3.1515 4.3069 4.3115 4.9721 4.9731 5.3729 5.3765 5.9339 5.9348 6.4284 6.4310 6.9251 6.9268 8.2316 8.2331 8.7929 8.7936 11.7361 11.7364 13.6609 13.6612 17.2813 17.2832 17.6381 17.6396 18.9472 18.9480 k = 0.2854-0.3010-0.0000 ( 1628 PWs) bands (ev): -9.0957 -9.0957 -5.9286 -5.9284 -3.9309 -3.9304 -0.5793 -0.5773 0.6660 0.6685 2.1271 2.1301 3.1397 3.1413 4.2737 4.2785 4.9937 4.9953 5.3401 5.3433 5.9071 5.9079 6.3950 6.3973 6.9603 6.9622 8.2759 8.2773 8.8691 8.8698 11.7654 11.7657 13.6093 13.6097 17.2258 17.2278 17.5304 17.5316 18.8926 18.8934 k = 0.2775-0.2927-0.0000 ( 1630 PWs) bands (ev): -9.1406 -9.1406 -5.8893 -5.8891 -3.9054 -3.9049 -0.5454 -0.5435 0.6675 0.6699 2.1427 2.1459 3.1333 3.1350 4.2361 4.2410 5.0053 5.0076 5.3162 5.3190 5.8820 5.8828 6.3616 6.3638 6.9836 6.9855 8.3303 8.3317 8.9593 8.9598 11.7940 11.7942 13.5569 13.5573 17.1701 17.1723 17.4230 17.4240 18.8304 18.8311 k = 0.2695-0.2843-0.0000 ( 1630 PWs) bands (ev): -9.1854 -9.1853 -5.8487 -5.8485 -3.8777 -3.8772 -0.5202 -0.5183 0.6701 0.6725 2.1605 2.1638 3.1316 3.1334 4.1944 4.1995 5.0028 5.0059 5.3072 5.3093 5.8566 5.8575 6.3289 6.3310 6.9964 6.9984 8.3984 8.3998 9.0582 9.0586 11.8217 11.8219 13.5038 13.5041 17.1137 17.1162 17.3171 17.3179 18.7554 18.7561 k = 0.2616-0.2760-0.0000 ( 1628 PWs) bands (ev): -9.2299 -9.2299 -5.8069 -5.8067 -3.8478 -3.8473 -0.5026 -0.5007 0.6726 0.6749 2.1790 2.1825 3.1355 3.1373 4.1495 4.1547 4.9856 4.9893 5.3144 5.3159 5.8295 5.8306 6.2973 6.2993 7.0019 7.0038 8.4806 8.4820 9.1627 9.1630 11.8484 11.8487 13.4500 13.4504 17.0558 17.0587 17.2138 17.2147 18.6615 18.6625 k = 0.2537-0.2676-0.0000 ( 1630 PWs) bands (ev): -9.2741 -9.2741 -5.7639 -5.7637 -3.8159 -3.8154 -0.4913 -0.4895 0.6737 0.6759 2.1959 2.1997 3.1464 3.1482 4.1027 4.1079 4.9571 4.9612 5.3344 5.3355 5.8000 5.8012 6.2671 6.2690 7.0034 7.0053 8.5755 8.5767 9.2705 9.2707 11.8742 11.8745 13.3957 13.3960 16.9941 16.9974 17.1159 17.1172 18.5496 18.5506 k = 0.2457-0.2592-0.0000 ( 1632 PWs) bands (ev): -9.3179 -9.3178 -5.7198 -5.7196 -3.7821 -3.7816 -0.4852 -0.4835 0.6723 0.6744 2.2086 2.2125 3.1658 3.1677 4.0553 4.0606 4.9215 4.9256 5.3623 5.3631 5.7683 5.7697 6.2384 6.2403 7.0044 7.0062 8.6809 8.6821 9.3803 9.3805 11.8990 11.8993 13.3409 13.3412 16.9238 16.9274 17.0288 17.0303 18.4269 18.4280 k = 0.2378-0.2509-0.0000 ( 1634 PWs) bands (ev): -9.3611 -9.3610 -5.6748 -5.6746 -3.7465 -3.7460 -0.4830 -0.4814 0.6678 0.6698 2.2140 2.2179 3.1955 3.1974 4.0091 4.0144 4.8813 4.8853 5.3938 5.3944 5.7355 5.7371 6.2115 6.2134 7.0072 7.0088 8.7950 8.7961 9.4912 9.4913 11.9226 11.9230 13.2857 13.2861 16.8414 16.8446 16.9569 16.9581 18.2996 18.3006 k = 0.2299-0.2425-0.0000 ( 1640 PWs) bands (ev): -9.4036 -9.4036 -5.6290 -5.6288 -3.7091 -3.7086 -0.4838 -0.4823 0.6598 0.6616 2.2091 2.2131 3.2365 3.2385 3.9657 3.9708 4.8375 4.8414 5.4248 5.4255 5.7042 5.7061 6.1866 6.1885 7.0134 7.0149 8.9157 8.9167 9.6025 9.6025 11.9451 11.9455 13.2303 13.2306 16.7501 16.7527 16.8969 16.8976 18.1708 18.1717 k = 0.2220-0.2341-0.0000 ( 1638 PWs) bands (ev): -9.4454 -9.4454 -5.5824 -5.5822 -3.6701 -3.6696 -0.4866 -0.4852 0.6481 0.6499 2.1923 2.1961 3.2890 3.2910 3.9265 3.9315 4.7905 4.7942 5.4504 5.4514 5.6793 5.6814 6.1640 6.1658 7.0240 7.0254 9.0416 9.0426 9.7135 9.7135 11.9664 11.9668 13.1747 13.1751 16.6553 16.6576 16.8433 16.8436 18.0421 18.0429 k = 0.2140-0.2258-0.0000 ( 1638 PWs) bands (ev): -9.4864 -9.4864 -5.5353 -5.5351 -3.6295 -3.6290 -0.4905 -0.4892 0.6328 0.6345 2.1626 2.1663 3.3519 3.3538 3.8930 3.8978 4.7403 4.7437 5.4643 5.4656 5.6676 5.6699 6.1438 6.1456 7.0391 7.0403 9.1715 9.1724 9.8238 9.8239 11.9865 11.9869 13.1191 13.1195 16.5602 16.5622 16.7933 16.7934 17.9145 17.9152 k = 0.2061-0.2174-0.0000 ( 1640 PWs) bands (ev): -9.5265 -9.5264 -5.4877 -5.4875 -3.5875 -3.5870 -0.4950 -0.4938 0.6142 0.6158 2.1205 2.1240 3.4224 3.4244 3.8665 3.8710 4.6869 4.6900 5.4619 5.4634 5.6743 5.6766 6.1264 6.1283 7.0586 7.0598 9.3043 9.3052 9.9331 9.9333 12.0053 12.0057 13.0636 13.0640 16.4661 16.4679 16.7455 16.7458 17.7885 17.7891 k = 0.1982-0.2091-0.0000 ( 1640 PWs) bands (ev): -9.5655 -9.5655 -5.4398 -5.4396 -3.5441 -3.5436 -0.4995 -0.4984 0.5924 0.5939 2.0672 2.0704 3.4960 3.4980 3.8494 3.8534 4.6312 4.6338 5.4466 5.4481 5.6964 5.6985 6.1123 6.1142 7.0823 7.0834 9.4392 9.4400 10.0411 10.0412 12.0227 12.0232 13.0084 13.0087 16.3737 16.3754 16.6997 16.7000 17.6647 17.6653 k = 0.1903-0.2007-0.0000 ( 1644 PWs) bands (ev): -9.6036 -9.6035 -5.3918 -5.3916 -3.4994 -3.4989 -0.5036 -0.5025 0.5676 0.5691 2.0042 2.0072 3.5652 3.5675 3.8453 3.8486 4.5749 4.5770 5.4252 5.4265 5.7267 5.7286 6.1020 6.1040 7.1097 7.1107 9.5755 9.5763 10.1473 10.1476 12.0387 12.0392 12.9535 12.9538 16.2834 16.2850 16.6554 16.6559 17.5434 17.5440 k = 0.1823-0.1923-0.0000 ( 1636 PWs) bands (ev): -9.6404 -9.6404 -5.3438 -5.3436 -3.4535 -3.4529 -0.5068 -0.5059 0.5401 0.5416 1.9335 1.9361 3.6192 3.6221 3.8598 3.8622 4.5216 4.5230 5.4025 5.4037 5.7595 5.7612 6.0965 6.0986 7.1404 7.1413 9.7126 9.7134 10.2517 10.2520 12.0533 12.0538 12.8993 12.8996 16.1956 16.1972 16.6128 16.6134 17.4251 17.4257 k = 0.1744-0.1840-0.0000 ( 1632 PWs) bands (ev): -9.6761 -9.6761 -5.2960 -5.2958 -3.4064 -3.4058 -0.5090 -0.5081 0.5100 0.5115 1.8567 1.8591 3.6500 3.6537 3.8925 3.8948 4.4775 4.4782 5.3810 5.3819 5.7911 5.7926 6.0970 6.0990 7.1737 7.1745 9.8499 9.8506 10.3538 10.3541 12.0663 12.0669 12.8459 12.8462 16.1104 16.1119 16.5716 16.5723 17.3100 17.3106 k = 0.1665-0.1756-0.0000 ( 1624 PWs) bands (ev): -9.7106 -9.7106 -5.2486 -5.2484 -3.3582 -3.3577 -0.5099 -0.5091 0.4775 0.4790 1.7757 1.7778 3.6613 3.6655 3.9282 3.9312 4.4529 4.4534 5.3616 5.3624 5.8188 5.8203 6.1046 6.1067 7.2094 7.2101 9.9869 9.9876 10.4535 10.4538 12.0776 12.0782 12.7936 12.7938 16.0279 16.0294 16.5319 16.5326 17.1984 17.1991 k = 0.1585-0.1672-0.0000 ( 1626 PWs) bands (ev): -9.7437 -9.7437 -5.2018 -5.2016 -3.3091 -3.3085 -0.5093 -0.5086 0.4426 0.4440 1.6920 1.6939 3.6610 3.6656 3.9454 3.9491 4.4605 4.4616 5.3445 5.3451 5.8410 5.8423 6.1203 6.1223 7.2468 7.2474 10.1231 10.1238 10.5503 10.5508 12.0871 12.0878 12.7426 12.7428 15.9483 15.9497 16.4935 16.4942 17.0907 17.0913 k = 0.1506-0.1589-0.0000 ( 1626 PWs) bands (ev): -9.7756 -9.7755 -5.1557 -5.1555 -3.2590 -3.2585 -0.5073 -0.5066 0.4052 0.4066 1.6073 1.6089 3.6535 3.6582 3.9345 3.9385 4.5057 4.5071 5.3298 5.3303 5.8571 5.8581 6.1439 6.1458 7.2856 7.2862 10.2580 10.2587 10.6442 10.6447 12.0947 12.0955 12.6934 12.6935 15.8714 15.8729 16.4564 16.4572 16.9870 16.9877 k = 0.1427-0.1505-0.0000 ( 1624 PWs) bands (ev): -9.8060 -9.8060 -5.1105 -5.1103 -3.2082 -3.2076 -0.5036 -0.5030 0.3653 0.3667 1.5227 1.5242 3.6388 3.6437 3.9030 3.9070 4.5802 4.5816 5.3172 5.3176 5.8677 5.8686 6.1745 6.1763 7.3255 7.3260 10.3912 10.3919 10.7349 10.7355 12.1001 12.1009 12.6462 12.6463 15.7976 15.7990 16.4205 16.4213 16.8878 16.8885 k = 0.1348-0.1422-0.0000 ( 1624 PWs) bands (ev): -9.8350 -9.8350 -5.0665 -5.0663 -3.1567 -3.1561 -0.4984 -0.4978 0.3229 0.3243 1.4397 1.4409 3.6145 3.6194 3.8645 3.8682 4.6720 4.6732 5.3065 5.3068 5.8742 5.8748 6.2102 6.2118 7.3661 7.3665 10.5221 10.5228 10.8222 10.8228 12.1031 12.1040 12.6016 12.6017 15.7267 15.7281 16.3856 16.3864 16.7935 16.7942 k = 0.1268-0.1338-0.0000 ( 1622 PWs) bands (ev): -9.8625 -9.8625 -5.0238 -5.0236 -3.1045 -3.1040 -0.4916 -0.4910 0.2779 0.2793 1.3592 1.3603 3.5777 3.5822 3.8301 3.8333 4.7724 4.7736 5.2976 5.2978 5.8778 5.8783 6.2494 6.2508 7.4070 7.4074 10.6503 10.6511 10.9057 10.9065 12.1033 12.1044 12.5600 12.5601 15.6588 15.6603 16.3515 16.3524 16.7043 16.7051 k = 0.1189-0.1254-0.0000 ( 1626 PWs) bands (ev): -9.8885 -9.8885 -4.9826 -4.9824 -3.0520 -3.0515 -0.4833 -0.4828 0.2301 0.2315 1.2824 1.2833 3.5276 3.5315 3.8053 3.8078 4.8763 4.8773 5.2900 5.2902 5.8797 5.8801 6.2906 6.2919 7.4478 7.4482 10.7752 10.7760 10.9854 10.9863 12.1005 12.1017 12.5219 12.5221 15.5940 15.5954 16.3180 16.3189 16.6209 16.6216 k = 0.1110-0.1171-0.0000 ( 1622 PWs) bands (ev): -9.9130 -9.9130 -4.9431 -4.9430 -2.9993 -2.9987 -0.4736 -0.4732 0.1798 0.1812 1.2100 1.2108 3.4672 3.4705 3.7896 3.7915 4.9805 4.9814 5.2838 5.2839 5.8806 5.8809 6.3327 6.3339 7.4884 7.4888 10.8964 10.8973 11.0610 11.0621 12.0945 12.0958 12.4880 12.4883 15.5322 15.5336 16.2846 16.2855 16.5439 16.5447 k = 0.1031-0.1087-0.0000 ( 1622 PWs) bands (ev): -9.9359 -9.9359 -4.9056 -4.9054 -2.9465 -2.9460 -0.4628 -0.4624 0.1270 0.1283 1.1428 1.1434 3.4009 3.4036 3.7804 3.7818 5.0828 5.0835 5.2787 5.2788 5.8809 5.8812 6.3749 6.3760 7.5284 7.5287 11.0130 11.0142 11.1322 11.1337 12.0852 12.0866 12.4585 12.4589 15.4735 15.4749 16.2506 16.2515 16.4742 16.4749 k = 0.0951-0.1003-0.0000 ( 1622 PWs) bands (ev): -9.9572 -9.9572 -4.8701 -4.8699 -2.8940 -2.8935 -0.4509 -0.4506 0.0721 0.0734 1.0811 1.0816 3.3321 3.3344 3.7752 3.7764 5.1814 5.1819 5.2746 5.2749 5.8810 5.8812 6.4167 6.4176 7.5674 7.5677 11.1243 11.1261 11.1991 11.2014 12.0725 12.0741 12.4337 12.4341 15.4180 15.4193 16.2152 16.2161 16.4128 16.4134 k = 0.0872-0.0920-0.0000 ( 1624 PWs) bands (ev): -9.9769 -9.9769 -4.8368 -4.8367 -2.8422 -2.8416 -0.4384 -0.4381 0.0155 0.0167 1.0252 1.0257 3.2635 3.2654 3.7726 3.7735 5.2645 5.2666 5.2803 5.2828 5.8810 5.8812 6.4574 6.4582 7.6052 7.6054 11.2280 11.2321 11.2618 11.2666 12.0570 12.0587 12.4135 12.4139 15.3656 15.3668 16.1779 16.1786 16.3603 16.3608 k = 0.0793-0.0836-0.0000 ( 1624 PWs) bands (ev): -9.9950 -9.9950 -4.8059 -4.8058 -2.7913 -2.7908 -0.4253 -0.4251 -0.0419 -0.0408 0.9754 0.9758 3.1968 3.1985 3.7716 3.7723 5.2669 5.2674 5.3652 5.3662 5.8810 5.8811 6.4965 6.4973 7.6413 7.6415 11.3101 11.3158 11.3357 11.3423 12.0391 12.0410 12.3974 12.3979 15.3166 15.3178 16.1385 16.1392 16.3172 16.3175 k = 0.0713-0.0753-0.0000 ( 1626 PWs) bands (ev): -10.0114 -10.0114 -4.7776 -4.7775 -2.7419 -2.7414 -0.4121 -0.4119 -0.0993 -0.0982 0.9314 0.9318 3.1334 3.1349 3.7715 3.7721 5.2650 5.2653 5.4472 5.4479 5.8811 5.8812 6.5337 6.5344 7.6755 7.6757 11.3669 11.3692 11.4282 11.4316 12.0198 12.0218 12.3850 12.3855 15.2711 15.2721 16.0982 16.0987 16.2824 16.2826 k = 0.0634-0.0669-0.0000 ( 1630 PWs) bands (ev): -10.0261 -10.0261 -4.7519 -4.7518 -2.6946 -2.6941 -0.3990 -0.3989 -0.1556 -0.1546 0.8931 0.8934 3.0743 3.0755 3.7719 3.7724 5.2633 5.2636 5.5221 5.5227 5.8812 5.8813 6.5685 6.5691 7.7073 7.7075 11.4150 11.4163 11.5143 11.5170 11.9999 12.0021 12.3756 12.3761 15.2292 15.2302 16.0584 16.0588 16.2546 16.2547 k = 0.0555-0.0585-0.0000 ( 1630 PWs) bands (ev): -10.0391 -10.0391 -4.7290 -4.7289 -2.6499 -2.6495 -0.3863 -0.3863 -0.2097 -0.2088 0.8602 0.8605 3.0202 3.0212 3.7727 3.7731 5.2620 5.2622 5.5893 5.5899 5.8813 5.8814 6.6005 6.6010 7.7366 7.7367 11.4571 11.4579 11.5926 11.5951 11.9802 11.9827 12.3686 12.3691 15.1912 15.1921 16.0207 16.0210 16.2323 16.2325 k = 0.0476-0.0502-0.0000 ( 1632 PWs) bands (ev): -10.0504 -10.0504 -4.7089 -4.7088 -2.6087 -2.6083 -0.3746 -0.3745 -0.2601 -0.2593 0.8325 0.8328 2.9718 2.9727 3.7736 3.7740 5.2609 5.2611 5.6484 5.6488 5.8815 5.8816 6.6293 6.6298 7.7628 7.7629 11.4935 11.4941 11.6623 11.6648 11.9616 11.9643 12.3634 12.3639 15.1574 15.1582 15.9863 15.9866 16.2145 16.2147 k = 0.0396-0.0418-0.0000 ( 1632 PWs) bands (ev): -10.0600 -10.0600 -4.6918 -4.6917 -2.5717 -2.5714 -0.3643 -0.3640 -0.3056 -0.3049 0.8096 0.8098 2.9299 2.9306 3.7745 3.7748 5.2602 5.2603 5.6989 5.6992 5.8817 5.8818 6.6545 6.6549 7.7857 7.7858 11.5244 11.5249 11.7227 11.7255 11.9446 11.9475 12.3597 12.3601 15.1281 15.1288 15.9562 15.9564 16.2003 16.2006 k = 0.0317-0.0334-0.0000 ( 1632 PWs) bands (ev): -10.0679 -10.0678 -4.6777 -4.6777 -2.5399 -2.5396 -0.3576 -0.3560 -0.3437 -0.3421 0.7913 0.7915 2.8949 2.8955 3.7754 3.7756 5.2596 5.2597 5.7406 5.7408 5.8818 5.8819 6.6757 6.6760 7.8050 7.8050 11.5497 11.5501 11.7734 11.7766 11.9294 11.9327 12.3570 12.3574 15.1035 15.1041 15.9310 15.9312 16.1894 16.1896 k = 0.0238-0.0251-0.0000 ( 1634 PWs) bands (ev): -10.0740 -10.0740 -4.6667 -4.6667 -2.5140 -2.5138 -0.3789 -0.3781 -0.3463 -0.3457 0.7773 0.7775 2.8672 2.8676 3.7761 3.7763 5.2592 5.2593 5.7732 5.7734 5.8819 5.8820 6.6926 6.6928 7.8203 7.8203 11.5694 11.5697 11.8142 11.8178 11.9164 11.9201 12.3552 12.3555 15.0841 15.0845 15.9110 15.9111 16.1813 16.1815 k = 0.0159-0.0167-0.0000 ( 1636 PWs) bands (ev): -10.0784 -10.0784 -4.6588 -4.6588 -2.4948 -2.4947 -0.4023 -0.4019 -0.3410 -0.3407 0.7675 0.7676 2.8472 2.8475 3.7767 3.7768 5.2589 5.2590 5.7967 5.7968 5.8819 5.8820 6.7049 6.7051 7.8314 7.8314 11.5835 11.5837 11.8452 11.8493 11.9051 11.9094 12.3540 12.3542 15.0700 15.0703 15.8966 15.8967 16.1756 16.1758 k = 0.0079-0.0084-0.0000 ( 1634 PWs) bands (ev): -10.0810 -10.0810 -4.6540 -4.6540 -2.4830 -2.4829 -0.4168 -0.4166 -0.3376 -0.3375 0.7616 0.7617 2.8351 2.8352 3.7770 3.7771 5.2588 5.2588 5.8109 5.8109 5.8819 5.8820 6.7124 6.7125 7.8381 7.8381 11.5920 11.5921 11.8674 11.8719 11.8949 11.8995 12.3534 12.3535 15.0615 15.0616 15.8879 15.8879 16.1724 16.1725 k = 0.0000 0.0000 0.0000 ( 1637 PWs) bands (ev): -10.0819 -10.0819 -4.6525 -4.6525 -2.4790 -2.4790 -0.4216 -0.4216 -0.3365 -0.3365 0.7597 0.7597 2.8311 2.8311 3.7772 3.7772 5.2588 5.2588 5.8156 5.8156 5.8819 5.8819 6.7149 6.7149 7.8404 7.8404 11.5949 11.5949 11.8817 11.8817 11.8892 11.8892 12.3532 12.3532 15.0587 15.0587 15.8850 15.8850 16.1713 16.1713 k = 0.0000 0.0000 0.0000 ( 1637 PWs) bands (ev): -10.0819 -10.0819 -4.6525 -4.6525 -2.4790 -2.4790 -0.4216 -0.4216 -0.3365 -0.3365 0.7597 0.7597 2.8311 2.8311 3.7772 3.7772 5.2588 5.2588 5.8156 5.8156 5.8819 5.8819 6.7149 6.7149 7.8404 7.8404 11.5949 11.5949 11.8817 11.8817 11.8892 11.8892 12.3532 12.3532 15.0587 15.0587 15.8850 15.8850 16.1713 16.1713 k = 0.0114-0.0006-0.0005 ( 1636 PWs) bands (ev): -10.0810 -10.0810 -4.6548 -4.6548 -2.4801 -2.4801 -0.4207 -0.4205 -0.3360 -0.3359 0.7612 0.7613 2.8349 2.8350 3.7764 3.7764 5.2574 5.2574 5.8134 5.8134 5.8808 5.8808 6.7140 6.7140 7.8390 7.8390 11.5881 11.5887 11.8728 11.8774 11.8925 11.8970 12.3527 12.3530 15.0617 15.0618 15.8888 15.8888 16.1746 16.1747 k = 0.0227-0.0012-0.0010 ( 1635 PWs) bands (ev): -10.0783 -10.0783 -4.6618 -4.6618 -2.4833 -2.4832 -0.4177 -0.4174 -0.3345 -0.3343 0.7658 0.7659 2.8462 2.8464 3.7740 3.7742 5.2533 5.2534 5.8065 5.8066 5.8776 5.8777 6.7111 6.7113 7.8349 7.8349 11.5691 11.5701 11.8602 11.8643 11.9017 11.9060 12.3519 12.3524 15.0707 15.0709 15.9004 15.9004 16.1842 16.1844 k = 0.0341-0.0018-0.0015 ( 1634 PWs) bands (ev): -10.0740 -10.0739 -4.6734 -4.6734 -2.4884 -2.4882 -0.4127 -0.4123 -0.3319 -0.3316 0.7734 0.7735 2.8651 2.8654 3.7702 3.7704 5.2465 5.2465 5.7951 5.7952 5.8725 5.8726 6.7065 6.7067 7.8282 7.8282 11.5394 11.5408 11.8425 11.8461 11.9110 11.9150 12.3516 12.3524 15.0856 15.0859 15.9196 15.9197 16.2001 16.2004 k = 0.0455-0.0024-0.0021 ( 1633 PWs) bands (ev): -10.0678 -10.0678 -4.6897 -4.6897 -2.4953 -2.4951 -0.4058 -0.4053 -0.3282 -0.3279 0.7838 0.7841 2.8914 2.8918 3.7648 3.7651 5.2368 5.2370 5.7788 5.7791 5.8657 5.8658 6.7003 6.7005 7.8189 7.8190 11.5006 11.5022 11.8190 11.8221 11.9180 11.9219 12.3535 12.3545 15.1061 15.1065 15.9464 15.9465 16.2218 16.2222 k = 0.0568-0.0030-0.0026 ( 1636 PWs) bands (ev): -10.0599 -10.0599 -4.7106 -4.7106 -2.5037 -2.5035 -0.3971 -0.3964 -0.3235 -0.3231 0.7970 0.7973 2.9249 2.9254 3.7579 3.7583 5.2244 5.2245 5.7579 5.7582 5.8574 5.8575 6.6927 6.6929 7.8074 7.8075 11.4542 11.4559 11.7894 11.7921 11.9203 11.9242 12.3595 12.3608 15.1320 15.1325 15.9807 15.9809 16.2488 16.2492 k = 0.0682-0.0036-0.0031 ( 1631 PWs) bands (ev): -10.0503 -10.0503 -4.7361 -4.7360 -2.5134 -2.5131 -0.3866 -0.3858 -0.3177 -0.3172 0.8129 0.8132 2.9653 2.9660 3.7496 3.7500 5.2091 5.2093 5.7323 5.7327 5.8476 5.8477 6.6839 6.6842 7.7940 7.7941 11.4009 11.4027 11.7539 11.7563 11.9155 11.9194 12.3717 12.3731 15.1628 15.1634 16.0224 16.0226 16.2805 16.2809 k = 0.0795-0.0043-0.0036 ( 1631 PWs) bands (ev): -10.0390 -10.0390 -4.7660 -4.7660 -2.5239 -2.5236 -0.3744 -0.3734 -0.3107 -0.3101 0.8311 0.8315 3.0124 3.0132 3.7399 3.7403 5.1909 5.1911 5.7022 5.7028 5.8364 5.8365 6.6742 6.6745 7.7788 7.7789 11.3416 11.3434 11.7124 11.7147 11.9021 11.9059 12.3915 12.3930 15.1983 15.1989 16.0712 16.0714 16.3162 16.3167 k = 0.0909-0.0049-0.0041 ( 1631 PWs) bands (ev): -10.0260 -10.0260 -4.8004 -4.8004 -2.5351 -2.5347 -0.3607 -0.3596 -0.3025 -0.3018 0.8516 0.8521 3.0657 3.0666 3.7288 3.7294 5.1698 5.1701 5.6679 5.6687 5.8237 5.8239 6.6639 6.6643 7.7623 7.7624 11.2769 11.2787 11.6654 11.6675 11.8793 11.8830 12.4194 12.4208 15.2378 15.2386 16.1268 16.1271 16.3552 16.3557 k = 0.1023-0.0055-0.0046 ( 1631 PWs) bands (ev): -10.0113 -10.0113 -4.8392 -4.8391 -2.5465 -2.5461 -0.3456 -0.3445 -0.2930 -0.2921 0.8742 0.8747 3.1246 3.1256 3.7167 3.7173 5.1459 5.1462 5.6298 5.6307 5.8095 5.8096 6.6536 6.6540 7.7448 7.7450 11.2071 11.2089 11.6130 11.6150 11.8476 11.8511 12.4551 12.4565 15.2811 15.2819 16.1889 16.1893 16.3970 16.3975 k = 0.1136-0.0061-0.0051 ( 1631 PWs) bands (ev): -9.9949 -9.9949 -4.8821 -4.8820 -2.5579 -2.5575 -0.3295 -0.3282 -0.2821 -0.2810 0.8987 0.8992 3.1885 3.1897 3.7037 3.7045 5.1191 5.1194 5.5882 5.5892 5.7935 5.7937 6.6434 6.6439 7.7268 7.7271 11.1330 11.1347 11.5557 11.5576 11.8076 11.8110 12.4978 12.4990 15.3277 15.3286 16.2569 16.2574 16.4411 16.4415 k = 0.1250-0.0067-0.0057 ( 1627 PWs) bands (ev): -9.9769 -9.9768 -4.9290 -4.9289 -2.5690 -2.5686 -0.3126 -0.3112 -0.2694 -0.2682 0.9249 0.9255 3.2563 3.2577 3.6906 3.6915 5.0896 5.0900 5.5434 5.5446 5.7757 5.7758 6.6340 6.6345 7.7088 7.7090 11.0547 11.0564 11.4937 11.4955 11.7603 11.7635 12.5465 12.5476 15.3771 15.3781 16.3298 16.3304 16.4874 16.4877 k = 0.1364-0.0073-0.0062 ( 1626 PWs) bands (ev): -9.9572 -9.9572 -4.9798 -4.9797 -2.5795 -2.5791 -0.2953 -0.2938 -0.2547 -0.2534 0.9527 0.9534 3.3261 3.3278 3.6786 3.6798 5.0576 5.0579 5.4959 5.4971 5.7558 5.7559 6.6258 6.6262 7.6911 7.6914 10.9729 10.9745 11.4274 11.4291 11.7064 11.7094 12.6003 12.6013 15.4289 15.4299 16.4057 16.4065 16.5368 16.5371 k = 0.1477-0.0079-0.0067 ( 1627 PWs) bands (ev): -9.9360 -9.9360 -5.0343 -5.0341 -2.5893 -2.5888 -0.2780 -0.2766 -0.2376 -0.2363 0.9820 0.9827 3.3945 3.3966 3.6705 3.6722 5.0232 5.0236 5.4460 5.4473 5.7336 5.7337 6.6191 6.6195 7.6742 7.6745 10.8878 10.8894 11.3571 11.3588 11.6468 11.6496 12.6583 12.6592 15.4828 15.4838 16.4804 16.4814 16.5924 16.5929 k = 0.1591-0.0085-0.0072 ( 1628 PWs) bands (ev): -9.9132 -9.9132 -5.0921 -5.0920 -2.5981 -2.5977 -0.2610 -0.2596 -0.2180 -0.2167 1.0126 1.0133 3.4537 3.4565 3.6735 3.6758 4.9867 4.9872 5.3941 5.3956 5.7090 5.7092 6.6144 6.6147 7.6585 7.6589 10.8000 10.8016 11.2832 11.2848 11.5819 11.5846 12.7198 12.7206 15.5382 15.5393 16.5471 16.5482 16.6605 16.6611 k = 0.1705-0.0091-0.0077 ( 1626 PWs) bands (ev): -9.8889 -9.8888 -5.1531 -5.1529 -2.6059 -2.6054 -0.2442 -0.2430 -0.1961 -0.1948 1.0444 1.0451 3.4908 3.4940 3.7000 3.7028 4.9488 4.9493 5.3409 5.3425 5.6819 5.6821 6.6120 6.6123 7.6446 7.6450 10.7098 10.7113 11.2060 11.2076 11.5122 11.5148 12.7843 12.7850 15.5948 15.5960 16.6014 16.6024 16.7447 16.7452 k = 0.1818-0.0097-0.0082 ( 1626 PWs) bands (ev): -9.8631 -9.8630 -5.2169 -5.2168 -2.6125 -2.6121 -0.2274 -0.2265 -0.1720 -0.1709 1.0773 1.0780 3.5003 3.5033 3.7549 3.7578 4.9098 4.9104 5.2867 5.2884 5.6521 5.6523 6.6123 6.6126 7.6327 7.6332 10.6176 10.6191 11.1260 11.1274 11.4382 11.4407 12.8510 12.8517 15.6521 15.6533 16.6462 16.6472 16.8413 16.8418 k = 0.1932-0.0103-0.0088 ( 1626 PWs) bands (ev): -9.8358 -9.8358 -5.2833 -5.2831 -2.6180 -2.6176 -0.2106 -0.2098 -0.1463 -0.1452 1.1111 1.1119 3.4915 3.4941 3.8273 3.8299 4.8707 4.8713 5.2323 5.2341 5.6197 5.6201 6.6155 6.6158 7.6232 7.6238 10.5238 10.5252 11.0433 11.0447 11.3602 11.3626 12.9196 12.9202 15.7096 15.7108 16.6852 16.6862 16.9464 16.9469 k = 0.2045-0.0109-0.0093 ( 1625 PWs) bands (ev): -9.8072 -9.8072 -5.3519 -5.3518 -2.6223 -2.6218 -0.1936 -0.1929 -0.1190 -0.1180 1.1460 1.1468 3.4736 3.4760 3.9057 3.9084 4.8326 4.8332 5.1783 5.1802 5.5849 5.5853 6.6220 6.6222 7.6165 7.6171 10.4286 10.4300 10.9583 10.9597 11.2785 11.2808 12.9896 12.9902 15.7666 15.7679 16.7207 16.7217 17.0576 17.0580 k = 0.2159-0.0115-0.0098 ( 1621 PWs) bands (ev): -9.7773 -9.7772 -5.4225 -5.4224 -2.6254 -2.6249 -0.1762 -0.1756 -0.0905 -0.0895 1.1816 1.1824 3.4511 3.4533 3.9833 3.9861 4.7972 4.7979 5.1258 5.1278 5.5479 5.5484 6.6317 6.6318 7.6128 7.6135 10.3324 10.3337 10.8713 10.8726 11.1934 11.1956 13.0605 13.0610 15.8225 15.8238 16.7540 16.7551 17.1736 17.1740 k = 0.2273-0.0121-0.0103 ( 1626 PWs) bands (ev): -9.7461 -9.7460 -5.4947 -5.4946 -2.6273 -2.6269 -0.1585 -0.1579 -0.0609 -0.0600 1.2180 1.2188 3.4257 3.4278 4.0542 4.0572 4.7667 4.7675 5.0764 5.0783 5.5092 5.5099 6.6448 6.6449 7.6123 7.6130 10.2355 10.2368 10.7825 10.7837 11.1050 11.1072 13.1319 13.1324 15.8764 15.8778 16.7863 16.7875 17.2935 17.2940 k = 0.2386-0.0128-0.0108 ( 1626 PWs) bands (ev): -9.7137 -9.7137 -5.5682 -5.5681 -2.6282 -2.6278 -0.1404 -0.1400 -0.0304 -0.0294 1.2550 1.2558 3.3987 3.4008 4.1126 4.1158 4.7433 4.7441 5.0325 5.0345 5.4696 5.4705 6.6613 6.6615 7.6152 7.6160 10.1381 10.1394 10.6921 10.6933 11.0138 11.0159 13.2035 13.2039 15.9275 15.9289 16.8188 16.8201 17.4167 17.4173 k = 0.2500-0.0134-0.0113 ( 1628 PWs) bands (ev): -9.6802 -9.6802 -5.6428 -5.6427 -2.6280 -2.6276 -0.1221 -0.1217 0.0009 0.0019 1.2925 1.2934 3.3707 3.3727 4.1523 4.1557 4.7272 4.7279 4.9987 5.0005 5.4306 5.4317 6.6814 6.6816 7.6216 7.6224 10.0406 10.0419 10.6005 10.6016 10.9198 10.9219 13.2749 13.2753 15.9747 15.9761 16.8528 16.8542 17.5427 17.5433 k = 0.2614-0.0140-0.0118 ( 1624 PWs) bands (ev): -9.6457 -9.6457 -5.7179 -5.7178 -2.6269 -2.6266 -0.1035 -0.1032 0.0330 0.0339 1.3306 1.3315 3.3420 3.3440 4.1696 4.1730 4.7139 4.7145 4.9813 4.9827 5.3945 5.3959 6.7050 6.7052 7.6315 7.6324 9.9432 9.9445 10.5077 10.5088 10.8234 10.8254 13.3459 13.3462 16.0172 16.0186 16.8895 16.8909 17.6709 17.6716 k = 0.2727-0.0146-0.0124 ( 1625 PWs) bands (ev): -9.6103 -9.6103 -5.7935 -5.7934 -2.6250 -2.6246 -0.0848 -0.0845 0.0656 0.0665 1.3689 1.3698 3.3131 3.3151 4.1649 4.1682 4.6948 4.6953 4.9841 4.9849 5.3657 5.3675 6.7321 6.7323 7.6450 7.6459 9.8462 9.8474 10.4139 10.4150 10.7248 10.7269 13.4159 13.4163 16.0539 16.0553 16.9300 16.9315 17.8006 17.8014 k = 0.2841-0.0152-0.0129 ( 1625 PWs) bands (ev): -9.5741 -9.5741 -5.8690 -5.8689 -2.6222 -2.6219 -0.0659 -0.0657 0.0985 0.0995 1.4074 1.4084 3.2843 3.2863 4.1425 4.1456 4.6655 4.6662 4.9994 4.9997 5.3523 5.3545 6.7626 6.7629 7.6621 7.6630 9.7497 9.7510 10.3193 10.3203 10.6244 10.6264 13.4849 13.4852 16.0842 16.0856 16.9752 16.9768 17.9314 17.9323 k = 0.2955-0.0158-0.0134 ( 1626 PWs) bands (ev): -9.5373 -9.5373 -5.9443 -5.9442 -2.6188 -2.6185 -0.0471 -0.0469 0.1318 0.1327 1.4460 1.4470 3.2559 3.2578 4.1075 4.1104 4.6281 4.6289 5.0089 5.0095 5.3655 5.3680 6.7967 6.7971 7.6826 7.6836 9.6540 9.6553 10.2239 10.2249 10.5224 10.5244 13.5525 13.5528 16.1078 16.1091 17.0256 17.0272 18.0625 18.0635 k = 0.3068-0.0164-0.0139 ( 1623 PWs) bands (ev): -9.4999 -9.4999 -6.0189 -6.0188 -2.6149 -2.6146 -0.0284 -0.0282 0.1652 0.1660 1.4846 1.4855 3.2281 3.2300 4.0642 4.0669 4.5862 4.5872 4.9999 5.0008 5.4111 5.4136 6.8344 6.8348 7.7065 7.7075 9.5594 9.5607 10.1279 10.1289 10.4193 10.4213 13.6186 13.6188 16.1246 16.1259 17.0813 17.0828 18.1934 18.1944 k = 0.3182-0.0170-0.0144 ( 1623 PWs) bands (ev): -9.4623 -9.4622 -6.0925 -6.0924 -2.6105 -2.6102 -0.0099 -0.0097 0.1985 0.1993 1.5228 1.5238 3.2012 3.2031 4.0157 4.0182 4.5424 4.5435 4.9732 4.9740 5.4831 5.4854 6.8755 6.8760 7.7336 7.7347 9.4662 9.4675 10.0311 10.0321 10.3153 10.3173 13.6828 13.6830 16.1351 16.1364 17.1420 17.1435 18.3231 18.3242 k = 0.3295-0.0176-0.0149 ( 1621 PWs) bands (ev): -9.4244 -9.4244 -6.1648 -6.1648 -2.6058 -2.6055 0.0083 0.0085 0.2315 0.2323 1.5606 1.5615 3.1755 3.1774 3.9642 3.9666 4.4984 4.4994 4.9353 4.9360 5.5715 5.5735 6.9203 6.9208 7.7639 7.7650 9.3744 9.3758 9.9337 9.9347 10.2110 10.2129 13.7449 13.7452 16.1398 16.1410 17.2070 17.2084 18.4510 18.4522 k = 0.3409-0.0182-0.0154 ( 1621 PWs) bands (ev): -9.3866 -9.3866 -6.2355 -6.2354 -2.6008 -2.6005 0.0261 0.0262 0.2641 0.2649 1.5977 1.5986 3.1512 3.1530 3.9112 3.9134 4.4549 4.4559 4.8915 4.8921 5.6688 5.6706 6.9688 6.9694 7.7971 7.7982 9.2845 9.2859 9.8355 9.8365 10.1068 10.1088 13.8047 13.8050 16.1396 16.1407 17.2755 17.2769 18.5761 18.5773 k = 0.3523-0.0188-0.0160 ( 1618 PWs) bands (ev): -9.3491 -9.3491 -6.3041 -6.3040 -2.5956 -2.5954 0.0433 0.0435 0.2960 0.2968 1.6339 1.6349 3.1284 3.1303 3.8578 3.8599 4.4126 4.4137 4.8449 4.8454 5.7705 5.7721 7.0211 7.0217 7.8330 7.8342 9.1967 9.1982 9.7365 9.7376 10.0034 10.0054 13.8620 13.8623 16.1351 16.1361 17.3466 17.3479 18.6975 18.6988 k = 0.3636-0.0194-0.0165 ( 1618 PWs) bands (ev): -9.3122 -9.3122 -6.3703 -6.3702 -2.5904 -2.5902 0.0600 0.0601 0.3271 0.3278 1.6690 1.6699 3.1075 3.1093 3.8048 3.8068 4.3721 4.3731 4.7974 4.7979 5.8736 5.8750 7.0772 7.0779 7.8713 7.8725 9.1113 9.1128 9.6366 9.6378 9.9014 9.9033 13.9166 13.9168 16.1273 16.1283 17.4191 17.4204 18.8142 18.8156 k = 0.3750-0.0200-0.0170 ( 1619 PWs) bands (ev): -9.2761 -9.2761 -6.4337 -6.4336 -2.5852 -2.5850 0.0758 0.0759 0.3570 0.3577 1.7027 1.7036 3.0885 3.0903 3.7531 3.7550 4.3336 4.3345 4.7503 4.7507 5.9759 5.9771 7.1373 7.1381 7.9117 7.9130 9.0286 9.0302 9.5358 9.5371 9.8014 9.8033 13.9681 13.9683 16.1170 16.1178 17.4921 17.4933 18.9251 18.9266 k = 0.3864-0.0207-0.0175 ( 1620 PWs) bands (ev): -9.2412 -9.2412 -6.4938 -6.4938 -2.5802 -2.5800 0.0907 0.0908 0.3856 0.3862 1.7347 1.7356 3.0716 3.0733 3.7033 3.7050 4.2975 4.2983 4.7045 4.7049 6.0757 6.0768 7.2015 7.2023 7.9539 7.9553 8.9489 8.9507 9.4342 9.4356 9.7042 9.7061 14.0165 14.0167 16.1048 16.1056 17.5644 17.5655 19.0292 19.0307 k = 0.3977-0.0213-0.0180 ( 1621 PWs) bands (ev): -9.2078 -9.2078 -6.5503 -6.5502 -2.5753 -2.5752 0.1047 0.1048 0.4125 0.4131 1.7648 1.7656 3.0570 3.0586 3.6559 3.6575 4.2639 4.2647 4.6608 4.6611 6.1715 6.1725 7.2698 7.2707 7.9974 7.9988 8.8726 8.8745 9.3323 9.3338 9.6104 9.6122 14.0613 14.0615 16.0915 16.0922 17.6348 17.6358 19.1254 19.1270 k = 0.4091-0.0219-0.0185 ( 1622 PWs) bands (ev): -9.1764 -9.1763 -6.6026 -6.6025 -2.5708 -2.5706 0.1175 0.1176 0.4376 0.4381 1.7926 1.7934 3.0445 3.0460 3.6114 3.6129 4.2332 4.2339 4.6198 4.6201 6.2618 6.2628 7.3422 7.3431 8.0416 8.0430 8.8000 8.8020 9.2307 9.2323 9.5207 9.5224 14.1025 14.1026 16.0777 16.0783 17.7023 17.7033 19.2128 19.2143 k = 0.4205-0.0225-0.0191 ( 1623 PWs) bands (ev): -9.1472 -9.1472 -6.6503 -6.6503 -2.5666 -2.5665 0.1291 0.1292 0.4605 0.4610 1.8180 1.8187 3.0342 3.0357 3.5704 3.5718 4.2055 4.2061 4.5821 4.5824 6.3455 6.3464 7.4184 7.4194 8.0858 8.0872 8.7312 8.7334 9.1307 9.1325 9.4357 9.4373 14.1396 14.1398 16.0640 16.0646 17.7657 17.7666 19.2904 19.2919 k = 0.4318-0.0231-0.0196 ( 1623 PWs) bands (ev): -9.1208 -9.1207 -6.6929 -6.6929 -2.5628 -2.5627 0.1394 0.1394 0.4810 0.4814 1.8405 1.8412 3.0261 3.0274 3.5334 3.5347 4.1810 4.1815 4.5483 4.5485 6.4212 6.4220 7.4978 7.4988 8.1288 8.1303 8.6661 8.6685 9.0344 9.0363 9.3561 9.3576 14.1726 14.1727 16.0510 16.0514 17.8239 17.8247 19.3577 19.3591 k = 0.4432-0.0237-0.0201 ( 1621 PWs) bands (ev): -9.0975 -9.0975 -6.7300 -6.7300 -2.5595 -2.5594 0.1483 0.1483 0.4988 0.4992 1.8601 1.8607 3.0199 3.0211 3.5010 3.5020 4.1599 4.1604 4.5188 4.5190 6.4877 6.4884 7.5794 7.5804 8.1696 8.1711 8.6041 8.6067 8.9447 8.9467 9.2830 9.2844 14.2010 14.2011 16.0390 16.0394 17.8757 17.8764 19.4143 19.4156 k = 0.4545-0.0243-0.0206 ( 1619 PWs) bands (ev): -9.0777 -9.0777 -6.7610 -6.7610 -2.5568 -2.5567 0.1556 0.1557 0.5138 0.5140 1.8765 1.8770 3.0155 3.0165 3.4735 3.4744 4.1424 4.1428 4.4941 4.4942 6.5440 6.5446 7.6613 7.6623 8.2065 8.2081 8.5439 8.5466 8.8658 8.8679 9.2177 9.2189 14.2247 14.2248 16.0286 16.0290 17.9200 17.9205 19.4601 19.4612 k = 0.4659-0.0249-0.0211 ( 1621 PWs) bands (ev): -9.0620 -9.0619 -6.7857 -6.7857 -2.5546 -2.5545 0.1614 0.1615 0.5256 0.5258 1.8894 1.8898 3.0125 3.0133 3.4516 3.4522 4.1286 4.1289 4.4744 4.4745 6.5890 6.5895 7.7403 7.7413 8.2382 8.2398 8.4844 8.4871 8.8027 8.8046 9.1622 9.1631 14.2433 14.2434 16.0202 16.0204 17.9557 17.9561 19.4953 19.4962 k = 0.4773-0.0255-0.0216 ( 1623 PWs) bands (ev): -9.0504 -9.0504 -6.8036 -6.8036 -2.5530 -2.5529 0.1656 0.1656 0.5342 0.5343 1.8988 1.8990 3.0107 3.0112 3.4355 3.4360 4.1187 4.1188 4.4602 4.4602 6.6219 6.6222 7.8107 7.8116 8.2638 8.2654 8.4270 8.4294 8.7588 8.7602 9.1190 9.1197 14.2568 14.2569 16.0139 16.0140 17.9819 17.9822 19.5201 19.5207 k = 0.4886-0.0261-0.0221 ( 1623 PWs) bands (ev): -9.0434 -9.0434 -6.8144 -6.8144 -2.5520 -2.5520 0.1682 0.1682 0.5394 0.5395 1.9044 1.9046 3.0098 3.0100 3.4258 3.4260 4.1127 4.1128 4.4515 4.4516 6.6420 6.6421 7.8627 7.8632 8.2841 8.2855 8.3783 8.3802 8.7343 8.7350 9.0913 9.0917 14.2650 14.2650 16.0100 16.0101 17.9980 17.9981 19.5348 19.5351 k = 0.5000-0.0267-0.0227 ( 1624 PWs) bands (ev): -9.0410 -9.0410 -6.8180 -6.8180 -2.5517 -2.5517 0.1690 0.1690 0.5412 0.5412 1.9064 1.9064 3.0096 3.0096 3.4226 3.4226 4.1107 4.1107 4.4487 4.4487 6.6488 6.6488 7.8827 7.8827 8.2955 8.2955 8.3564 8.3564 8.7268 8.7268 9.0819 9.0819 14.2677 14.2677 16.0088 16.0088 18.0034 18.0034 19.5397 19.5397 k = 0.5000-0.0267 0.4722 ( 1618 PWs) bands (ev): -8.4380 -8.4380 -6.3543 -6.3543 -3.7356 -3.7356 -2.4872 -2.4872 1.7134 1.7134 2.1241 2.1241 3.0243 3.0243 3.8041 3.8041 4.6211 4.6211 5.1438 5.1438 5.5990 5.5990 6.1629 6.1629 8.3380 8.3380 9.1802 9.1802 9.6046 9.6046 10.0951 10.0951 14.7632 14.7632 18.1534 18.1534 18.5214 18.5214 19.1366 19.1366 k = 0.4917-0.0263 0.4643 ( 1618 PWs) bands (ev): -8.4396 -8.4396 -6.3536 -6.3536 -3.7344 -3.7344 -2.4851 -2.4851 1.7096 1.7097 2.1254 2.1256 3.0222 3.0225 3.8073 3.8074 4.6202 4.6204 5.1426 5.1427 5.6002 5.6003 6.1692 6.1693 8.3339 8.3340 9.1719 9.1720 9.6129 9.6131 10.0906 10.0906 14.7654 14.7654 18.1437 18.1441 18.5300 18.5305 19.1397 19.1398 k = 0.4833-0.0258 0.4564 ( 1618 PWs) bands (ev): -8.4445 -8.4445 -6.3516 -6.3516 -3.7309 -3.7309 -2.4788 -2.4787 1.6985 1.6987 2.1294 2.1297 3.0162 3.0168 3.8167 3.8169 4.6177 4.6182 5.1391 5.1392 5.6039 5.6041 6.1879 6.1881 8.3220 8.3222 9.1487 9.1490 9.6360 9.6363 10.0773 10.0774 14.7719 14.7719 18.1174 18.1182 18.5539 18.5547 19.1488 19.1491 k = 0.4750-0.0254 0.4486 ( 1619 PWs) bands (ev): -8.4525 -8.4525 -6.3482 -6.3482 -3.7251 -3.7251 -2.4683 -2.4682 1.6810 1.6812 2.1351 2.1355 3.0069 3.0077 3.8320 3.8323 4.6138 4.6145 5.1335 5.1337 5.6107 5.6110 6.2181 6.2184 8.3024 8.3027 9.1146 9.1151 9.6696 9.6700 10.0558 10.0559 14.7823 14.7823 18.0797 18.0807 18.5880 18.5890 19.1630 19.1635 k = 0.4667-0.0249 0.4407 ( 1619 PWs) bands (ev): -8.4638 -8.4637 -6.3435 -6.3435 -3.7171 -3.7170 -2.4537 -2.4536 1.6579 1.6582 2.1416 2.1421 2.9950 2.9961 3.8523 3.8527 4.6086 4.6095 5.1264 5.1267 5.6209 5.6212 6.2585 6.2589 8.2757 8.2760 9.0735 9.0740 9.7088 9.7093 10.0274 10.0275 14.7963 14.7963 18.0353 18.0365 18.6277 18.6289 19.1805 19.1811 k = 0.4583-0.0245 0.4328 ( 1621 PWs) bands (ev): -8.4780 -8.4780 -6.3373 -6.3373 -3.7067 -3.7066 -2.4352 -2.4350 1.6304 1.6307 2.1478 2.1484 2.9814 2.9826 3.8768 3.8774 4.6024 4.6034 5.1181 5.1185 5.6349 5.6353 6.3080 6.3084 8.2423 8.2427 9.0280 9.0286 9.7480 9.7486 9.9952 9.9955 14.8132 14.8132 17.9872 17.9885 18.6698 18.6711 19.1986 19.1995 k = 0.4500-0.0241 0.4250 ( 1622 PWs) bands (ev): -8.4953 -8.4952 -6.3298 -6.3298 -3.6942 -3.6941 -2.4130 -2.4127 1.5994 1.5998 2.1527 2.1534 2.9670 2.9684 3.9046 3.9052 4.5955 4.5967 5.1094 5.1099 5.6528 5.6533 6.3650 6.3654 8.2031 8.2036 8.9800 8.9806 9.7773 9.7778 9.9681 9.9686 14.8321 14.8322 17.9375 17.9388 18.7122 18.7135 19.2138 19.2148 k = 0.4417-0.0236 0.4171 ( 1623 PWs) bands (ev): -8.5154 -8.5153 -6.3208 -6.3208 -3.6796 -3.6795 -2.3871 -2.3868 1.5658 1.5662 2.1556 2.1564 2.9527 2.9541 3.9345 3.9353 4.5883 4.5897 5.1007 5.1013 5.6747 5.6752 6.4283 6.4288 8.1590 8.1596 8.9306 8.9313 9.7775 9.7781 9.9642 9.9650 14.8521 14.8522 17.8876 17.8889 18.7534 18.7547 19.2218 19.2230 k = 0.4333-0.0232 0.4092 ( 1623 PWs) bands (ev): -8.5382 -8.5382 -6.3104 -6.3103 -3.6629 -3.6627 -2.3579 -2.3576 1.5301 1.5306 2.1559 2.1569 2.9390 2.9406 3.9658 3.9667 4.5814 4.5828 5.0925 5.0931 5.7002 5.7008 6.4968 6.4974 8.1109 8.1116 8.8808 8.8815 9.7405 9.7410 9.9920 9.9928 14.8724 14.8725 17.8383 17.8396 18.7921 18.7933 19.2190 19.2204 k = 0.4250-0.0227 0.4013 ( 1624 PWs) bands (ev): -8.5636 -8.5635 -6.2985 -6.2984 -3.6442 -3.6440 -2.3257 -2.3253 1.4929 1.4935 2.1534 2.1544 2.9267 2.9284 3.9973 3.9983 4.5753 4.5768 5.0852 5.0858 5.7289 5.7296 6.5693 6.5700 8.0601 8.0609 8.8311 8.8318 9.6802 9.6807 10.0373 10.0381 14.8917 14.8918 17.7904 17.7917 18.8265 18.8277 19.2043 19.2058 k = 0.4167-0.0223 0.3935 ( 1624 PWs) bands (ev): -8.5914 -8.5914 -6.2851 -6.2850 -3.6235 -3.6233 -2.2907 -2.2903 1.4547 1.4554 2.1479 2.1491 2.9161 2.9178 4.0280 4.0292 4.5707 4.5723 5.0789 5.0796 5.7603 5.7610 6.6449 6.6457 8.0078 8.0087 8.7821 8.7828 9.6072 9.6076 10.0899 10.0907 14.9091 14.9092 17.7442 17.7456 18.8545 18.8556 19.1803 19.1819 k = 0.4083-0.0218 0.3856 ( 1628 PWs) bands (ev): -8.6214 -8.6214 -6.2702 -6.2701 -3.6010 -3.6008 -2.2533 -2.2528 1.4158 1.4166 2.1396 2.1409 2.9074 2.9091 4.0569 4.0582 4.5685 4.5702 5.0738 5.0746 5.7936 5.7943 6.7224 6.7234 7.9556 7.9567 8.7342 8.7349 9.5260 9.5264 10.1458 10.1466 14.9233 14.9234 17.7002 17.7016 18.8726 18.8737 19.1526 19.1541 k = 0.4000-0.0214 0.3777 ( 1628 PWs) bands (ev): -8.6536 -8.6536 -6.2537 -6.2537 -3.5766 -3.5764 -2.2138 -2.2133 1.3765 1.3773 2.1289 2.1303 2.9006 2.9023 4.0830 4.0845 4.5696 4.5713 5.0700 5.0708 5.8279 5.8287 6.8009 6.8020 7.9052 7.9064 8.6877 8.6884 9.4390 9.4394 10.2033 10.2041 14.9335 14.9337 17.6585 17.6599 18.8761 18.8771 19.1284 19.1300 k = 0.3917-0.0209 0.3699 ( 1629 PWs) bands (ev): -8.6876 -8.6876 -6.2358 -6.2357 -3.5505 -3.5503 -2.1727 -2.1721 1.3368 1.3378 2.1163 2.1179 2.8955 2.8972 4.1053 4.1069 4.5747 4.5763 5.0674 5.0682 5.8621 5.8629 6.8792 6.8805 7.8585 7.8598 8.6432 8.6439 9.3477 9.3481 10.2616 10.2624 14.9387 14.9389 17.6189 17.6204 18.8605 18.8616 19.1140 19.1157 k = 0.3833-0.0205 0.3620 ( 1626 PWs) bands (ev): -8.7234 -8.7234 -6.2162 -6.2162 -3.5228 -3.5225 -2.1302 -2.1296 1.2969 1.2980 2.1026 2.1044 2.8919 2.8935 4.1231 4.1248 4.5844 4.5860 5.0660 5.0668 5.8949 5.8957 6.9562 6.9576 7.8174 7.8189 8.6008 8.6016 9.2535 9.2539 10.3202 10.3210 14.9383 14.9385 17.5813 17.5828 18.8264 18.8276 19.1103 19.1121 k = 0.3750-0.0200 0.3541 ( 1626 PWs) bands (ev): -8.7607 -8.7607 -6.1952 -6.1951 -3.4934 -3.4931 -2.0868 -2.0863 1.2569 1.2581 2.0885 2.0905 2.8894 2.8910 4.1358 4.1377 4.5991 4.6006 5.0656 5.0664 5.9248 5.9257 7.0306 7.0322 7.7840 7.7856 8.5609 8.5617 9.1581 9.1585 10.3789 10.3797 14.9316 14.9319 17.5452 17.5468 18.7790 18.7803 19.1131 19.1148 k = 0.3667-0.0196 0.3463 ( 1627 PWs) bands (ev): -8.7994 -8.7993 -6.1726 -6.1725 -3.4624 -3.4621 -2.0430 -2.0424 1.2167 1.2180 2.0749 2.0772 2.8876 2.8893 4.1435 4.1454 4.6188 4.6202 5.0661 5.0670 5.9502 5.9512 7.1015 7.1033 7.7600 7.7617 8.5235 8.5244 9.0632 9.0637 10.4374 10.4382 14.9183 14.9186 17.5101 17.5117 18.7234 18.7247 19.1175 19.1191 k = 0.3583-0.0192 0.3384 ( 1626 PWs) bands (ev): -8.8392 -8.8392 -6.1485 -6.1484 -3.4299 -3.4297 -1.9991 -1.9985 1.1763 1.1777 2.0628 2.0652 2.8862 2.8878 4.1463 4.1483 4.6431 4.6444 5.0674 5.0682 5.9696 5.9706 7.1685 7.1705 7.7461 7.7479 8.4883 8.4891 8.9718 8.9724 10.4955 10.4963 14.8982 14.8984 17.4751 17.4768 18.6631 18.6645 19.1202 19.1218 k = 0.3500-0.0187 0.3305 ( 1624 PWs) bands (ev): -8.8801 -8.8800 -6.1229 -6.1228 -3.3960 -3.3957 -1.9556 -1.9550 1.1356 1.1370 2.0529 2.0554 2.8847 2.8863 4.1449 4.1469 4.6712 4.6724 5.0692 5.0701 5.9815 5.9825 7.2321 7.2341 7.7418 7.7435 8.4535 8.4543 8.8879 8.8886 10.5532 10.5540 14.8712 14.8716 17.4396 17.4414 18.6001 18.6015 19.1192 19.1207 k = 0.3417-0.0183 0.3227 ( 1622 PWs) bands (ev): -8.9217 -8.9217 -6.0958 -6.0957 -3.3607 -3.3605 -1.9128 -1.9121 1.0944 1.0959 2.0461 2.0488 2.8826 2.8842 4.1397 4.1418 4.7024 4.7035 5.0714 5.0722 5.9850 5.9860 7.2939 7.2959 7.7444 7.7460 8.4158 8.4167 8.8178 8.8187 10.6103 10.6112 14.8377 14.8380 17.4027 17.4045 18.5355 18.5368 19.1129 19.1142 k = 0.3333-0.0178 0.3148 ( 1618 PWs) bands (ev): -8.9641 -8.9641 -6.0672 -6.0671 -3.3241 -3.3238 -1.8710 -1.8704 1.0527 1.0543 2.0431 2.0459 2.8796 2.8812 4.1314 4.1336 4.7361 4.7371 5.0737 5.0746 5.9797 5.9807 7.3562 7.3581 7.7499 7.7513 8.3702 8.3711 8.7697 8.7709 10.6667 10.6676 14.7978 14.7982 17.3636 17.3654 18.4698 18.4712 19.1002 19.1014 k = 0.3250-0.0174 0.3069 ( 1620 PWs) bands (ev): -9.0070 -9.0070 -6.0372 -6.0371 -3.2863 -3.2860 -1.8307 -1.8300 1.0103 1.0119 2.0446 2.0475 2.8753 2.8768 4.1205 4.1227 4.7715 4.7725 5.0760 5.0769 5.9661 5.9671 7.4214 7.4233 7.7534 7.7545 8.3130 8.3139 8.7501 8.7516 10.7224 10.7233 14.7519 14.7523 17.3216 17.3235 18.4033 18.4047 19.0800 19.0811 k = 0.3167-0.0169 0.2990 ( 1620 PWs) bands (ev): -9.0502 -9.0502 -6.0057 -6.0056 -3.2473 -3.2471 -1.7920 -1.7913 0.9670 0.9687 2.0511 2.0541 2.8692 2.8707 4.1072 4.1094 4.8080 4.8090 5.0782 5.0791 5.9452 5.9461 7.4915 7.4933 7.7507 7.7516 8.2456 8.2467 8.7600 8.7617 10.7772 10.7782 14.7007 14.7010 17.2762 17.2782 18.3361 18.3375 19.0518 19.0529 k = 0.3083-0.0165 0.2912 ( 1619 PWs) bands (ev): -9.0937 -9.0937 -5.9729 -5.9728 -3.2073 -3.2070 -1.7552 -1.7545 0.9229 0.9246 2.0631 2.0662 2.8610 2.8625 4.0919 4.0941 4.8452 4.8462 5.0800 5.0809 5.9185 5.9194 7.5667 7.5684 7.7389 7.7397 8.1738 8.1749 8.7955 8.7972 10.8312 10.8321 14.6445 14.6449 17.2271 17.2292 18.2680 18.2694 19.0151 19.0162 k = 0.3000-0.0160 0.2833 ( 1618 PWs) bands (ev): -9.1372 -9.1372 -5.9388 -5.9387 -3.1663 -3.1660 -1.7205 -1.7198 0.8779 0.8795 2.0809 2.0840 2.8504 2.8519 4.0747 4.0769 4.8826 4.8835 5.0815 5.0824 5.8880 5.8888 7.6413 7.6429 7.7217 7.7224 8.1040 8.1052 8.8512 8.8531 10.8842 10.8852 14.5839 14.5843 17.1742 17.1763 18.1988 18.2002 18.9698 18.9711 k = 0.2917-0.0156 0.2754 ( 1617 PWs) bands (ev): -9.1807 -9.1807 -5.9034 -5.9033 -3.1245 -3.1242 -1.6879 -1.6872 0.8319 0.8336 2.1045 2.1076 2.8370 2.8384 4.0556 4.0578 4.9194 4.9204 5.0828 5.0837 5.8554 5.8562 7.6541 7.6547 7.7587 7.7596 8.0417 8.0429 8.9227 8.9245 10.9362 10.9372 14.5194 14.5198 17.1175 17.1195 18.1283 18.1296 18.9163 18.9178 k = 0.2833-0.0151 0.2676 ( 1616 PWs) bands (ev): -9.2240 -9.2240 -5.8667 -5.8666 -3.0820 -3.0817 -1.6574 -1.6567 0.7851 0.7868 2.1339 2.1371 2.8204 2.8219 4.0346 4.0368 4.9546 4.9558 5.0847 5.0855 5.8225 5.8232 7.6051 7.6055 7.8484 7.8495 7.9904 7.9917 9.0061 9.0080 10.9872 10.9882 14.4515 14.4520 17.0570 17.0590 18.0561 18.0573 18.8554 18.8571 k = 0.2750-0.0147 0.2597 ( 1618 PWs) bands (ev): -9.2671 -9.2671 -5.8288 -5.8287 -3.0389 -3.0386 -1.6291 -1.6284 0.7375 0.7391 2.1691 2.1722 2.8005 2.8020 4.0117 4.0138 4.9862 4.9877 5.0888 5.0898 5.7908 5.7915 7.5393 7.5397 7.9292 7.9297 7.9696 7.9704 9.0986 9.1004 11.0371 11.0381 14.3807 14.3811 16.9931 16.9951 17.9820 17.9832 18.7880 18.7900 k = 0.2667-0.0143 0.2518 ( 1621 PWs) bands (ev): -9.3098 -9.3097 -5.7898 -5.7897 -2.9954 -2.9951 -1.6027 -1.6020 0.6892 0.6908 2.2096 2.2127 2.7771 2.7786 3.9867 3.9889 5.0105 5.0124 5.0990 5.1001 5.7617 5.7623 7.4645 7.4648 7.9085 7.9095 8.0643 8.0652 9.1979 9.1997 11.0858 11.0868 14.3074 14.3078 16.9261 16.9281 17.9059 17.9071 18.7152 18.7174 k = 0.2583-0.0138 0.2440 ( 1621 PWs) bands (ev): -9.3519 -9.3519 -5.7498 -5.7497 -2.9517 -2.9514 -1.5781 -1.5774 0.6403 0.6418 2.2549 2.2581 2.7501 2.7516 3.9597 3.9618 5.0238 5.0258 5.1190 5.1202 5.7359 5.7365 7.3848 7.3851 7.8819 7.8828 8.1766 8.1775 9.3024 9.3042 11.1334 11.1344 14.2320 14.2325 16.8563 16.8583 17.8278 17.8290 18.6381 18.6404 k = 0.2500-0.0134 0.2361 ( 1619 PWs) bands (ev): -9.3935 -9.3935 -5.7087 -5.7086 -2.9081 -2.9078 -1.5549 -1.5543 0.5909 0.5925 2.3042 2.3074 2.7199 2.7214 3.9304 3.9326 5.0280 5.0299 5.1476 5.1486 5.7142 5.7148 7.3034 7.3036 7.8592 7.8600 8.2942 8.2951 9.4108 9.4125 11.1798 11.1809 14.1551 14.1555 16.7843 16.7862 17.7477 17.7488 18.5574 18.5598 k = 0.2417-0.0129 0.2282 ( 1618 PWs) bands (ev): -9.4344 -9.4344 -5.6667 -5.6666 -2.8647 -2.8644 -1.5330 -1.5323 0.5413 0.5428 2.3562 2.3593 2.6871 2.6887 3.8989 3.9010 5.0275 5.0293 5.1803 5.1811 5.6968 5.6974 7.2223 7.2226 7.8398 7.8406 8.4159 8.4168 9.5221 9.5238 11.2250 11.2261 14.0767 14.0772 16.7103 16.7122 17.6657 17.6668 18.4739 18.4763 k = 0.2333-0.0125 0.2203 ( 1619 PWs) bands (ev): -9.4745 -9.4745 -5.6238 -5.6237 -2.8218 -2.8215 -1.5118 -1.5111 0.4915 0.4930 2.4076 2.4107 2.6543 2.6560 3.8650 3.8670 5.0253 5.0270 5.2145 5.2151 5.6838 5.6843 7.1432 7.1434 7.8232 7.8239 8.5412 8.5420 9.6355 9.6371 11.2689 11.2700 13.9973 13.9978 16.6347 16.6366 17.5820 17.5831 18.3879 18.3903 k = 0.2250-0.0120 0.2125 ( 1619 PWs) bands (ev): -9.5138 -9.5138 -5.5802 -5.5801 -2.7798 -2.7795 -1.4909 -1.4903 0.4417 0.4431 2.4502 2.4529 2.6295 2.6311 3.8287 3.8307 5.0233 5.0248 5.2489 5.2494 5.6750 5.6755 7.0669 7.0672 7.8091 7.8097 8.6694 8.6702 9.7503 9.7519 11.3116 11.3128 13.9171 13.9176 16.5580 16.5598 17.4969 17.4980 18.2999 18.3022 k = 0.2167-0.0116 0.2046 ( 1619 PWs) bands (ev): -9.5522 -9.5522 -5.5359 -5.5358 -2.7390 -2.7386 -1.4699 -1.4693 0.3920 0.3934 2.4636 2.4652 2.6325 2.6342 3.7901 3.7921 5.0223 5.0238 5.2830 5.2834 5.6701 5.6707 6.9944 6.9947 7.7971 7.7978 8.8003 8.8010 9.8658 9.8675 11.3530 11.3542 13.8365 13.8370 16.4804 16.4821 17.4108 17.4118 18.2101 18.2123 k = 0.2083-0.0111 0.1967 ( 1619 PWs) bands (ev): -9.5896 -9.5896 -5.4910 -5.4909 -2.6997 -2.6993 -1.4482 -1.4476 0.3426 0.3439 2.4381 2.4387 2.6721 2.6741 3.7492 3.7512 5.0233 5.0246 5.3162 5.3165 5.6689 5.6695 6.9261 6.9265 7.7873 7.7878 8.9333 8.9340 9.9818 9.9833 11.3931 11.3944 13.7556 13.7561 16.4022 16.4040 17.3240 17.3250 18.1185 18.1206 k = 0.2000-0.0107 0.1889 ( 1621 PWs) bands (ev): -9.6260 -9.6260 -5.4456 -5.4455 -2.6622 -2.6619 -1.4253 -1.4248 0.2936 0.2949 2.3910 2.3912 2.7303 2.7327 3.7064 3.7084 5.0266 5.0278 5.3483 5.3486 5.6710 5.6716 6.8627 6.8631 7.7792 7.7798 9.0682 9.0689 10.0976 10.0991 11.4319 11.4332 13.6746 13.6751 16.3239 16.3256 17.2369 17.2379 18.0252 18.0273 k = 0.1917-0.0102 0.1810 ( 1619 PWs) bands (ev): -9.6613 -9.6613 -5.3999 -5.3998 -2.6270 -2.6267 -1.4008 -1.4002 0.2452 0.2465 2.3336 2.3339 2.7956 2.7981 3.6619 3.6638 5.0324 5.0335 5.3792 5.3795 5.6761 5.6768 6.8045 6.8049 7.7730 7.7735 9.2046 9.2053 10.2129 10.2144 11.4694 11.4707 13.5938 13.5944 16.2456 16.2473 17.1499 17.1509 17.9305 17.9324 k = 0.1833-0.0098 0.1731 ( 1621 PWs) bands (ev): -9.6954 -9.6954 -5.3539 -5.3538 -2.5945 -2.5941 -1.3740 -1.3734 0.1975 0.1987 2.2701 2.2705 2.8634 2.8660 3.6159 3.6179 5.0408 5.0419 5.4087 5.4090 5.6839 5.6846 6.7517 6.7521 7.7685 7.7690 9.3421 9.3428 10.3272 10.3288 11.5055 11.5068 13.5133 13.5139 16.1677 16.1693 17.0635 17.0644 17.8343 17.8361 k = 0.1750-0.0094 0.1653 ( 1624 PWs) bands (ev): -9.7283 -9.7283 -5.3078 -5.3077 -2.5648 -2.5644 -1.3445 -1.3440 0.1506 0.1518 2.2021 2.2026 2.9316 2.9344 3.5691 3.5711 5.0517 5.0527 5.4368 5.4371 5.6940 5.6947 6.7047 6.7051 7.7656 7.7660 9.4804 9.4811 10.4404 10.4420 11.5403 11.5417 13.4333 13.4339 16.0905 16.0920 16.9779 16.9788 17.7369 17.7386 k = 0.1667-0.0089 0.1574 ( 1622 PWs) bands (ev): -9.7599 -9.7599 -5.2617 -5.2616 -2.5383 -2.5379 -1.3120 -1.3115 0.1047 0.1058 2.1305 2.1310 2.9988 3.0018 3.5220 3.5242 5.0649 5.0657 5.4635 5.4638 5.7061 5.7067 6.6635 6.6640 7.7641 7.7645 9.6192 9.6199 10.5519 10.5535 11.5737 11.5752 13.3540 13.3546 16.0141 16.0156 16.8936 16.8946 17.6385 17.6401 k = 0.1583-0.0085 0.1495 ( 1623 PWs) bands (ev): -9.7903 -9.7903 -5.2157 -5.2156 -2.5152 -2.5148 -1.2762 -1.2757 0.0599 0.0610 2.0558 2.0563 3.0635 3.0667 3.4757 3.4781 5.0798 5.0806 5.4890 5.4893 5.7197 5.7203 6.6284 6.6288 7.7640 7.7643 9.7580 9.7586 10.6615 10.6631 11.6058 11.6073 13.2755 13.2762 15.9389 15.9403 16.8110 16.8119 17.5392 17.5408 k = 0.1500-0.0080 0.1417 ( 1622 PWs) bands (ev): -9.8193 -9.8193 -5.1702 -5.1701 -2.4955 -2.4951 -1.2368 -1.2364 0.0163 0.0174 1.9786 1.9791 3.1234 3.1270 3.4320 3.4348 5.0962 5.0968 5.5135 5.5138 5.7345 5.7351 6.5995 6.5999 7.7651 7.7654 9.8964 9.8971 10.7687 10.7704 11.6365 11.6381 13.1981 13.1988 15.8650 15.8664 16.7303 16.7313 17.4395 17.4410 k = 0.1417-0.0076 0.1338 ( 1624 PWs) bands (ev): -9.8469 -9.8469 -5.1251 -5.1250 -2.4793 -2.4789 -1.1938 -1.1934 -0.0258 -0.0248 1.8993 1.8998 3.1738 3.1781 3.3954 3.3988 5.1133 5.1138 5.5372 5.5376 5.7498 5.7504 6.5766 6.5771 7.7672 7.7675 10.0341 10.0348 10.8733 10.8750 11.6658 11.6675 13.1219 13.1226 15.7928 15.7942 16.6519 16.6529 17.3396 17.3410 k = 0.1333-0.0071 0.1259 ( 1626 PWs) bands (ev): -9.8731 -9.8731 -5.0807 -5.0806 -2.4665 -2.4661 -1.1472 -1.1468 -0.0665 -0.0656 1.8183 1.8188 3.2042 3.2089 3.3769 3.3808 5.1308 5.1312 5.5605 5.5609 5.7654 5.7659 6.5600 6.5604 7.7704 7.7707 10.1705 10.1712 10.9749 10.9766 11.6938 11.6956 13.0470 13.0478 15.7225 15.7238 16.5761 16.5770 17.2398 17.2412 k = 0.1250-0.0067 0.1180 ( 1625 PWs) bands (ev): -9.8979 -9.8979 -5.0372 -5.0371 -2.4569 -2.4565 -1.0972 -1.0967 -0.1056 -0.1047 1.7359 1.7365 3.2021 3.2060 3.3899 3.3929 5.1480 5.1483 5.5836 5.5840 5.7806 5.7811 6.5493 6.5497 7.7744 7.7746 10.3052 10.3060 11.0730 11.0748 11.7204 11.7223 12.9738 12.9747 15.6543 15.6555 16.5030 16.5040 17.1406 17.1419 k = 0.1167-0.0062 0.1102 ( 1626 PWs) bands (ev): -9.9212 -9.9212 -4.9948 -4.9947 -2.4502 -2.4498 -1.0439 -1.0435 -0.1429 -0.1420 1.6526 1.6531 3.1756 3.1783 3.4255 3.4275 5.1644 5.1647 5.6066 5.6070 5.7952 5.7956 6.5445 6.5449 7.7790 7.7793 10.4376 10.4384 11.1673 11.1692 11.7457 11.7477 12.9026 12.9035 15.5884 15.5896 16.4331 16.4341 17.0424 17.0436 k = 0.1083-0.0058 0.1023 ( 1624 PWs) bands (ev): -9.9430 -9.9430 -4.9538 -4.9537 -2.4462 -2.4458 -0.9877 -0.9873 -0.1783 -0.1775 1.5687 1.5693 3.1395 3.1414 3.4684 3.4698 5.1798 5.1800 5.6295 5.6299 5.8087 5.8092 6.5452 6.5456 7.7843 7.7845 10.5670 10.5679 11.2575 11.2594 11.7694 11.7716 12.8335 12.8345 15.5252 15.5263 16.3664 16.3674 16.9455 16.9466 k = 0.1000-0.0053 0.0944 ( 1626 PWs) bands (ev): -9.9633 -9.9633 -4.9143 -4.9142 -2.4446 -2.4442 -0.9290 -0.9286 -0.2116 -0.2109 1.4847 1.4852 3.1007 3.1022 3.5118 3.5128 5.1938 5.1940 5.6521 5.6526 5.8212 5.8216 6.5509 6.5513 7.7899 7.7901 10.6929 10.6938 11.3430 11.3451 11.7918 11.7941 12.7670 12.7680 15.4647 15.4657 16.3031 16.3041 16.8504 16.8515 k = 0.0917-0.0049 0.0866 ( 1629 PWs) bands (ev): -9.9821 -9.9820 -4.8766 -4.8765 -2.4448 -2.4445 -0.8683 -0.8679 -0.2428 -0.2421 1.4010 1.4015 3.0622 3.0634 3.5533 3.5541 5.2062 5.2064 5.6744 5.6748 5.8323 5.8327 6.5610 6.5614 7.7958 7.7959 10.8143 10.8154 11.4236 11.4258 11.8126 11.8151 12.7035 12.7047 15.4073 15.4082 16.2435 16.2444 16.7578 16.7588 k = 0.0833-0.0045 0.0787 ( 1633 PWs) bands (ev): -9.9992 -9.9992 -4.8410 -4.8409 -2.4467 -2.4463 -0.8061 -0.8058 -0.2717 -0.2711 1.3180 1.3185 3.0252 3.0262 3.5918 3.5925 5.2171 5.2172 5.6961 5.6964 5.8421 5.8425 6.5748 6.5751 7.8018 7.8019 10.9306 10.9317 11.4987 11.5011 11.8317 11.8344 12.6436 12.6448 15.3531 15.3540 16.1875 16.1884 16.6684 16.6692 k = 0.0750-0.0040 0.0708 ( 1634 PWs) bands (ev): -10.0148 -10.0148 -4.8077 -4.8076 -2.4497 -2.4494 -0.7432 -0.7428 -0.2982 -0.2976 1.2364 1.2369 2.9904 2.9912 3.6270 3.6276 5.2264 5.2265 5.7167 5.7170 5.8506 5.8509 6.5914 6.5917 7.8078 7.8079 11.0408 11.0420 11.5681 11.5706 11.8490 11.8520 12.5877 12.5890 15.3024 15.3032 16.1354 16.1363 16.5830 16.5837 k = 0.0667-0.0036 0.0630 ( 1631 PWs) bands (ev): -10.0288 -10.0288 -4.7769 -4.7769 -2.4536 -2.4533 -0.6802 -0.6799 -0.3221 -0.3216 1.1569 1.1574 2.9584 2.9591 3.6586 3.6591 5.2342 5.2344 5.7360 5.7363 5.8578 5.8582 6.6099 6.6102 7.8137 7.8138 11.1439 11.1453 11.6313 11.6339 11.8642 11.8674 12.5366 12.5380 15.2555 15.2563 16.0874 16.0882 16.5030 16.5035 k = 0.0583-0.0031 0.0551 ( 1635 PWs) bands (ev): -10.0412 -10.0412 -4.7491 -4.7490 -2.4580 -2.4578 -0.6183 -0.6179 -0.3434 -0.3429 1.0804 1.0808 2.9294 2.9300 3.6865 3.6869 5.2407 5.2408 5.7537 5.7540 5.8640 5.8643 6.6293 6.6295 7.8192 7.8193 11.2391 11.2406 11.6877 11.6905 11.8769 11.8804 12.4910 12.4925 15.2126 15.2133 16.0435 16.0443 16.4292 16.4297 k = 0.0500-0.0027 0.0472 ( 1637 PWs) bands (ev): -10.0520 -10.0520 -4.7243 -4.7243 -2.4626 -2.4624 -0.5586 -0.5583 -0.3617 -0.3613 1.0079 1.0083 2.9039 2.9044 3.7106 3.7110 5.2459 5.2461 5.7696 5.7698 5.8690 5.8693 6.6485 6.6488 7.8244 7.8245 11.3253 11.3270 11.7372 11.7403 11.8867 11.8904 12.4515 12.4530 15.1741 15.1747 16.0041 16.0048 16.3631 16.3635 k = 0.0417-0.0022 0.0393 ( 1636 PWs) bands (ev): -10.0611 -10.0611 -4.7029 -4.7028 -2.4670 -2.4668 -0.5030 -0.5027 -0.3766 -0.3763 0.9410 0.9413 2.8819 2.8823 3.7310 3.7313 5.2501 5.2502 5.7833 5.7835 5.8731 5.8734 6.6667 6.6669 7.8290 7.8291 11.4016 11.4033 11.7795 11.7827 11.8933 11.8972 12.4188 12.4203 15.1404 15.1409 15.9695 15.9701 16.3057 16.3060 k = 0.0333-0.0018 0.0315 ( 1635 PWs) bands (ev): -10.0685 -10.0685 -4.6850 -4.6850 -2.4710 -2.4709 -0.4548 -0.4543 -0.3868 -0.3864 0.8813 0.8816 2.8638 2.8641 3.7476 3.7479 5.2534 5.2535 5.7948 5.7949 5.8764 5.8766 6.6829 6.6831 7.8329 7.8330 11.4670 11.4687 11.8142 11.8178 11.8963 11.9004 12.3931 12.3945 15.1119 15.1123 15.9401 15.9407 16.2578 16.2581 k = 0.0250-0.0013 0.0236 ( 1635 PWs) bands (ev): -10.0744 -10.0744 -4.6709 -4.6709 -2.4744 -2.4743 -0.4238 -0.4233 -0.3844 -0.3839 0.8309 0.8312 2.8495 2.8497 3.7605 3.7607 5.2558 5.2559 5.8038 5.8039 5.8788 5.8790 6.6964 6.6965 7.8361 7.8362 11.5204 11.5220 11.8414 11.8453 11.8961 11.9002 12.3744 12.3755 15.0890 15.0893 15.9164 15.9169 16.2201 16.2203 k = 0.0167-0.0009 0.0157 ( 1635 PWs) bands (ev): -10.0785 -10.0785 -4.6607 -4.6607 -2.4769 -2.4768 -0.4189 -0.4187 -0.3625 -0.3623 0.7924 0.7925 2.8393 2.8394 3.7698 3.7699 5.2575 5.2575 5.8103 5.8104 5.8805 5.8807 6.7065 6.7066 7.8385 7.8385 11.5606 11.5619 11.8612 11.8656 11.8933 11.8976 12.3621 12.3629 15.0723 15.0725 15.8991 15.8994 16.1930 16.1932 k = 0.0083-0.0004 0.0079 ( 1636 PWs) bands (ev): -10.0810 -10.0810 -4.6545 -4.6545 -2.4785 -2.4785 -0.4207 -0.4206 -0.3434 -0.3433 0.7680 0.7681 2.8331 2.8332 3.7753 3.7754 5.2584 5.2585 5.8143 5.8143 5.8816 5.8816 6.7128 6.7128 7.8399 7.8399 11.5859 11.5866 11.8742 11.8788 11.8893 11.8938 12.3552 12.3557 15.0621 15.0622 15.8885 15.8886 16.1767 16.1768 k = 0.0000 0.0000 0.0000 ( 1637 PWs) bands (ev): -10.0819 -10.0819 -4.6525 -4.6525 -2.4790 -2.4790 -0.4216 -0.4216 -0.3365 -0.3365 0.7597 0.7597 2.8311 2.8311 3.7772 3.7772 5.2588 5.2588 5.8156 5.8156 5.8819 5.8819 6.7149 6.7149 7.8404 7.8404 11.5949 11.5949 11.8817 11.8817 11.8892 11.8892 12.3532 12.3532 15.0587 15.0587 15.8850 15.8850 16.1713 16.1713 Writing output data file BC2N.save init_run : 1.32s CPU 9.95s WALL ( 1 calls) electrons : 337.62s CPU 343.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.35s CPU 1.44s WALL ( 1 calls) Called by electrons: c_bands : 337.50s CPU 343.06s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.91s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.16s CPU 0.57s WALL ( 1 calls) newd : 0.31s CPU 0.52s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 402 calls) cegterg : 310.56s CPU 313.25s WALL ( 865 calls) Called by sum_band: Called by *egterg: h_psi : 117.05s CPU 123.87s WALL ( 15294 calls) s_psi : 8.28s CPU 9.35s WALL ( 15294 calls) g_psi : 0.15s CPU 0.23s WALL ( 14027 calls) cdiaghg : 148.04s CPU 145.68s WALL ( 14429 calls) cegterg:over : 25.14s CPU 21.93s WALL ( 14027 calls) cegterg:upda : 1.64s CPU 4.02s WALL ( 14027 calls) cegterg:last : 2.09s CPU 2.86s WALL ( 2071 calls) Called by h_psi: h_psi:vloc : 89.16s CPU 96.15s WALL ( 15294 calls) h_psi:vnl : 27.80s CPU 27.37s WALL ( 15294 calls) add_vuspsi : 4.99s CPU 7.89s WALL ( 15294 calls) General routines calbec : 22.78s CPU 19.39s WALL ( 15294 calls) fft : 0.33s CPU 2.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 85.31s CPU 91.91s WALL ( 1016500 calls) interpolate : 0.05s CPU 0.06s WALL ( 4 calls) davcio : 0.03s CPU 0.56s WALL ( 804 calls) Parallel routines fft_scatter : 60.61s CPU 65.09s WALL ( 1016523 calls) PWSCF : 6m13.08s CPU 7m32.09s WALL This run was terminated on: 8:42:46 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=