Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 4:51 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PdO.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 48 21 6 961 267 46 Max 49 22 7 964 282 48 Sum 1757 759 231 34629 9893 1685 bravais-lattice index = 14 lattice parameter (alat) = 6.4612 a.u. unit-cell volume = 161.5125 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.461187 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.619672 celldm(5)= -0.619672 celldm(6)= 0.239344 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.239344 0.970935 0.000000 ) a(3) = ( -0.619672 -0.485467 0.616707 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.246509 0.810757 ) b(2) = ( 0.000000 1.029935 0.810757 ) b(3) = ( 0.000000 0.000000 1.621514 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Pd 18.00 106.42000 Pd( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 518 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019305 k( 2) = ( 0.0000000 0.0000000 0.0108101), wk = 0.0019305 k( 3) = ( 0.0000000 0.0000000 0.0216202), wk = 0.0019305 k( 4) = ( 0.0000000 0.0000000 0.0324303), wk = 0.0019305 k( 5) = ( 0.0000000 0.0000000 0.0432404), wk = 0.0019305 k( 6) = ( 0.0000000 0.0000000 0.0540505), wk = 0.0019305 k( 7) = ( 0.0000000 0.0000000 0.0648606), wk = 0.0019305 k( 8) = ( 0.0000000 0.0000000 0.0756707), wk = 0.0019305 k( 9) = ( 0.0000000 0.0000000 0.0864808), wk = 0.0019305 k( 10) = ( 0.0000000 0.0000000 0.0972909), wk = 0.0019305 k( 11) = ( 0.0000000 0.0000000 0.1081010), wk = 0.0019305 k( 12) = ( 0.0000000 0.0000000 0.1189111), wk = 0.0019305 k( 13) = ( 0.0000000 0.0000000 0.1297212), wk = 0.0019305 k( 14) = ( 0.0000000 0.0000000 0.1405313), wk = 0.0019305 k( 15) = ( 0.0000000 0.0000000 0.1513413), wk = 0.0019305 k( 16) = ( 0.0000000 0.0000000 0.1621514), wk = 0.0019305 k( 17) = ( 0.0000000 0.0000000 0.1729615), wk = 0.0019305 k( 18) = ( 0.0000000 0.0000000 0.1837716), wk = 0.0019305 k( 19) = ( 0.0000000 0.0000000 0.1945817), wk = 0.0019305 k( 20) = ( 0.0000000 0.0000000 0.2053918), wk = 0.0019305 k( 21) = ( 0.0000000 0.0000000 0.2162019), wk = 0.0019305 k( 22) = ( 0.0000000 0.0000000 0.2270120), wk = 0.0019305 k( 23) = ( 0.0000000 0.0000000 0.2378221), wk = 0.0019305 k( 24) = ( 0.0000000 0.0000000 0.2486322), wk = 0.0019305 k( 25) = ( 0.0000000 0.0000000 0.2594423), wk = 0.0019305 k( 26) = ( 0.0000000 0.0000000 0.2702524), wk = 0.0019305 k( 27) = ( 0.0000000 0.0000000 0.2810625), wk = 0.0019305 k( 28) = ( 0.0000000 0.0000000 0.2918726), wk = 0.0019305 k( 29) = ( 0.0000000 0.0000000 0.3026827), wk = 0.0019305 k( 30) = ( 0.0000000 0.0000000 0.3134928), wk = 0.0019305 k( 31) = ( 0.0000000 0.0000000 0.3243029), wk = 0.0019305 k( 32) = ( 0.0000000 0.0000000 0.3351130), wk = 0.0019305 k( 33) = ( 0.0000000 0.0000000 0.3459231), wk = 0.0019305 k( 34) = ( 0.0000000 0.0000000 0.3567332), wk = 0.0019305 k( 35) = ( 0.0000000 0.0000000 0.3675433), wk = 0.0019305 k( 36) = ( 0.0000000 0.0000000 0.3783534), wk = 0.0019305 k( 37) = ( 0.0000000 0.0000000 0.3891635), wk = 0.0019305 k( 38) = ( 0.0000000 0.0000000 0.3999736), wk = 0.0019305 k( 39) = ( 0.0000000 0.0000000 0.4107837), wk = 0.0019305 k( 40) = ( 0.0000000 0.0000000 0.4215938), wk = 0.0019305 k( 41) = ( 0.0000000 0.0000000 0.4324039), wk = 0.0019305 k( 42) = ( 0.0000000 0.0000000 0.4432139), wk = 0.0019305 k( 43) = ( 0.0000000 0.0000000 0.4540240), wk = 0.0019305 k( 44) = ( 0.0000000 0.0000000 0.4648341), wk = 0.0019305 k( 45) = ( 0.0000000 0.0000000 0.4756442), wk = 0.0019305 k( 46) = ( 0.0000000 0.0000000 0.4864543), wk = 0.0019305 k( 47) = ( 0.0000000 0.0000000 0.4972644), wk = 0.0019305 k( 48) = ( 0.0000000 0.0000000 0.5080745), wk = 0.0019305 k( 49) = ( 0.0000000 0.0000000 0.5188846), wk = 0.0019305 k( 50) = ( 0.0000000 0.0000000 0.5296947), wk = 0.0019305 k( 51) = ( 0.0000000 0.0000000 0.5405048), wk = 0.0019305 k( 52) = ( 0.0000000 0.0000000 0.5513149), wk = 0.0019305 k( 53) = ( 0.0000000 0.0000000 0.5621250), wk = 0.0019305 k( 54) = ( 0.0000000 0.0000000 0.5729351), wk = 0.0019305 k( 55) = ( 0.0000000 0.0000000 0.5837452), wk = 0.0019305 k( 56) = ( 0.0000000 0.0000000 0.5945553), wk = 0.0019305 k( 57) = ( 0.0000000 0.0000000 0.6053654), wk = 0.0019305 k( 58) = ( 0.0000000 0.0000000 0.6161755), wk = 0.0019305 k( 59) = ( 0.0000000 0.0000000 0.6269856), wk = 0.0019305 k( 60) = ( 0.0000000 0.0000000 0.6377957), wk = 0.0019305 k( 61) = ( 0.0000000 0.0000000 0.6486058), wk = 0.0019305 k( 62) = ( 0.0000000 0.0000000 0.6594159), wk = 0.0019305 k( 63) = ( 0.0000000 0.0000000 0.6702260), wk = 0.0019305 k( 64) = ( 0.0000000 0.0000000 0.6810361), wk = 0.0019305 k( 65) = ( 0.0000000 0.0000000 0.6918462), wk = 0.0019305 k( 66) = ( 0.0000000 0.0000000 0.7026563), wk = 0.0019305 k( 67) = ( 0.0000000 0.0000000 0.7134664), wk = 0.0019305 k( 68) = ( 0.0000000 0.0000000 0.7242765), wk = 0.0019305 k( 69) = ( 0.0000000 0.0000000 0.7350865), wk = 0.0019305 k( 70) = ( 0.0000000 0.0000000 0.7458966), wk = 0.0019305 k( 71) = ( 0.0000000 0.0000000 0.7567067), wk = 0.0019305 k( 72) = ( 0.0000000 0.0000000 0.7675168), wk = 0.0019305 k( 73) = ( 0.0000000 0.0000000 0.7783269), wk = 0.0019305 k( 74) = ( 0.0000000 0.0000000 0.7891370), wk = 0.0019305 k( 75) = ( 0.0000000 0.0000000 0.7999471), wk = 0.0019305 k( 76) = ( 0.0000000 0.0000000 0.8107572), wk = 0.0019305 k( 77) = ( 0.0000000 0.0000000 0.8107572), wk = 0.0019305 k( 78) = ( -0.0066713 0.0085155 0.8107572), wk = 0.0019305 k( 79) = ( -0.0133425 0.0170310 0.8107572), wk = 0.0019305 k( 80) = ( -0.0200138 0.0255465 0.8107572), wk = 0.0019305 k( 81) = ( -0.0266851 0.0340620 0.8107572), wk = 0.0019305 k( 82) = ( -0.0333564 0.0425775 0.8107572), wk = 0.0019305 k( 83) = ( -0.0400276 0.0510930 0.8107572), wk = 0.0019305 k( 84) = ( -0.0466989 0.0596085 0.8107572), wk = 0.0019305 k( 85) = ( -0.0533702 0.0681240 0.8107572), wk = 0.0019305 k( 86) = ( -0.0600415 0.0766395 0.8107572), wk = 0.0019305 k( 87) = ( -0.0667127 0.0851551 0.8107572), wk = 0.0019305 k( 88) = ( -0.0733840 0.0936706 0.8107572), wk = 0.0019305 k( 89) = ( -0.0800553 0.1021861 0.8107572), wk = 0.0019305 k( 90) = ( -0.0867265 0.1107016 0.8107572), wk = 0.0019305 k( 91) = ( -0.0933978 0.1192171 0.8107572), wk = 0.0019305 k( 92) = ( -0.1000691 0.1277326 0.8107572), wk = 0.0019305 k( 93) = ( -0.1067404 0.1362481 0.8107572), wk = 0.0019305 k( 94) = ( -0.1134116 0.1447636 0.8107572), wk = 0.0019305 k( 95) = ( -0.1200829 0.1532791 0.8107572), wk = 0.0019305 k( 96) = ( -0.1267542 0.1617946 0.8107572), wk = 0.0019305 k( 97) = ( -0.1334255 0.1703101 0.8107572), wk = 0.0019305 k( 98) = ( -0.1400967 0.1788256 0.8107572), wk = 0.0019305 k( 99) = ( -0.1467680 0.1873411 0.8107572), wk = 0.0019305 k( 100) = ( -0.1534393 0.1958566 0.8107572), wk = 0.0019305 k( 101) = ( -0.1534393 0.1958566 0.8107572), wk = 0.0019305 k( 102) = ( -0.1581225 0.2018345 0.8031633), wk = 0.0019305 k( 103) = ( -0.1628058 0.2078124 0.7955693), wk = 0.0019305 k( 104) = ( -0.1674890 0.2137904 0.7879753), wk = 0.0019305 k( 105) = ( -0.1721723 0.2197683 0.7803814), wk = 0.0019305 k( 106) = ( -0.1768555 0.2257462 0.7727874), wk = 0.0019305 k( 107) = ( -0.1815388 0.2317241 0.7651934), wk = 0.0019305 k( 108) = ( -0.1862220 0.2377020 0.7575995), wk = 0.0019305 k( 109) = ( -0.1909053 0.2436799 0.7500055), wk = 0.0019305 k( 110) = ( -0.1955885 0.2496578 0.7424116), wk = 0.0019305 k( 111) = ( -0.2002718 0.2556357 0.7348176), wk = 0.0019305 k( 112) = ( -0.2049550 0.2616136 0.7272236), wk = 0.0019305 k( 113) = ( -0.2096383 0.2675915 0.7196297), wk = 0.0019305 k( 114) = ( -0.2143216 0.2735695 0.7120357), wk = 0.0019305 k( 115) = ( -0.2190048 0.2795474 0.7044418), wk = 0.0019305 k( 116) = ( -0.2236881 0.2855253 0.6968478), wk = 0.0019305 k( 117) = ( -0.2283713 0.2915032 0.6892538), wk = 0.0019305 k( 118) = ( -0.2330546 0.2974811 0.6816599), wk = 0.0019305 k( 119) = ( -0.2377378 0.3034590 0.6740659), wk = 0.0019305 k( 120) = ( -0.2424211 0.3094369 0.6664719), wk = 0.0019305 k( 121) = ( -0.2471043 0.3154148 0.6588780), wk = 0.0019305 k( 122) = ( -0.2517876 0.3213927 0.6512840), wk = 0.0019305 k( 123) = ( -0.2564708 0.3273706 0.6436900), wk = 0.0019305 k( 124) = ( -0.2611541 0.3333486 0.6360961), wk = 0.0019305 k( 125) = ( -0.2658373 0.3393265 0.6285021), wk = 0.0019305 k( 126) = ( -0.2705206 0.3453044 0.6209082), wk = 0.0019305 k( 127) = ( -0.2752039 0.3512823 0.6133142), wk = 0.0019305 k( 128) = ( -0.2798871 0.3572602 0.6057202), wk = 0.0019305 k( 129) = ( -0.2845704 0.3632381 0.5981263), wk = 0.0019305 k( 130) = ( -0.2892536 0.3692160 0.5905323), wk = 0.0019305 k( 131) = ( -0.2939369 0.3751939 0.5829384), wk = 0.0019305 k( 132) = ( -0.2986201 0.3811718 0.5753444), wk = 0.0019305 k( 133) = ( -0.3033034 0.3871497 0.5677504), wk = 0.0019305 k( 134) = ( -0.3079866 0.3931277 0.5601565), wk = 0.0019305 k( 135) = ( -0.3126699 0.3991056 0.5525625), wk = 0.0019305 k( 136) = ( -0.3173531 0.4050835 0.5449685), wk = 0.0019305 k( 137) = ( -0.3220364 0.4110614 0.5373746), wk = 0.0019305 k( 138) = ( -0.3267196 0.4170393 0.5297806), wk = 0.0019305 k( 139) = ( -0.3267196 0.4170393 0.5297806), wk = 0.0019305 k( 140) = ( -0.3219846 0.4109953 0.5221026), wk = 0.0019305 k( 141) = ( -0.3172495 0.4049512 0.5144246), wk = 0.0019305 k( 142) = ( -0.3125144 0.3989071 0.5067467), wk = 0.0019305 k( 143) = ( -0.3077794 0.3928631 0.4990687), wk = 0.0019305 k( 144) = ( -0.3030443 0.3868191 0.4913907), wk = 0.0019305 k( 145) = ( -0.2983092 0.3807750 0.4837127), wk = 0.0019305 k( 146) = ( -0.2935742 0.3747310 0.4760347), wk = 0.0019305 k( 147) = ( -0.2888391 0.3686869 0.4683568), wk = 0.0019305 k( 148) = ( -0.2841040 0.3626429 0.4606788), wk = 0.0019305 k( 149) = ( -0.2793690 0.3565988 0.4530008), wk = 0.0019305 k( 150) = ( -0.2746339 0.3505548 0.4453228), wk = 0.0019305 k( 151) = ( -0.2698988 0.3445107 0.4376449), wk = 0.0019305 k( 152) = ( -0.2651638 0.3384667 0.4299669), wk = 0.0019305 k( 153) = ( -0.2604287 0.3324226 0.4222889), wk = 0.0019305 k( 154) = ( -0.2556936 0.3263786 0.4146109), wk = 0.0019305 k( 155) = ( -0.2509586 0.3203345 0.4069329), wk = 0.0019305 k( 156) = ( -0.2462235 0.3142905 0.3992549), wk = 0.0019305 k( 157) = ( -0.2414884 0.3082464 0.3915770), wk = 0.0019305 k( 158) = ( -0.2367534 0.3022024 0.3838990), wk = 0.0019305 k( 159) = ( -0.2320183 0.2961583 0.3762210), wk = 0.0019305 k( 160) = ( -0.2272832 0.2901143 0.3685430), wk = 0.0019305 k( 161) = ( -0.2225482 0.2840702 0.3608651), wk = 0.0019305 k( 162) = ( -0.2178131 0.2780262 0.3531871), wk = 0.0019305 k( 163) = ( -0.2130780 0.2719821 0.3455091), wk = 0.0019305 k( 164) = ( -0.2083430 0.2659381 0.3378311), wk = 0.0019305 k( 165) = ( -0.2036079 0.2598941 0.3301531), wk = 0.0019305 k( 166) = ( -0.1988728 0.2538500 0.3224752), wk = 0.0019305 k( 167) = ( -0.1941377 0.2478060 0.3147972), wk = 0.0019305 k( 168) = ( -0.1894027 0.2417619 0.3071192), wk = 0.0019305 k( 169) = ( -0.1846676 0.2357179 0.2994412), wk = 0.0019305 k( 170) = ( -0.1799325 0.2296738 0.2917632), wk = 0.0019305 k( 171) = ( -0.1751975 0.2236298 0.2840853), wk = 0.0019305 k( 172) = ( -0.1704624 0.2175857 0.2764073), wk = 0.0019305 k( 173) = ( -0.1657273 0.2115417 0.2687293), wk = 0.0019305 k( 174) = ( -0.1609923 0.2054976 0.2610513), wk = 0.0019305 k( 175) = ( -0.1562572 0.1994536 0.2533733), wk = 0.0019305 k( 176) = ( -0.1515221 0.1934095 0.2456954), wk = 0.0019305 k( 177) = ( -0.1467871 0.1873655 0.2380174), wk = 0.0019305 k( 178) = ( -0.1420520 0.1813214 0.2303394), wk = 0.0019305 k( 179) = ( -0.1373169 0.1752774 0.2226614), wk = 0.0019305 k( 180) = ( -0.1325819 0.1692333 0.2149834), wk = 0.0019305 k( 181) = ( -0.1278468 0.1631893 0.2073054), wk = 0.0019305 k( 182) = ( -0.1231118 0.1571452 0.1996275), wk = 0.0019305 k( 183) = ( -0.1183767 0.1511012 0.1919495), wk = 0.0019305 k( 184) = ( -0.1136416 0.1450571 0.1842715), wk = 0.0019305 k( 185) = ( -0.1089065 0.1390131 0.1765935), wk = 0.0019305 k( 186) = ( -0.1041715 0.1329691 0.1689156), wk = 0.0019305 k( 187) = ( -0.0994364 0.1269250 0.1612376), wk = 0.0019305 k( 188) = ( -0.0947013 0.1208810 0.1535596), wk = 0.0019305 k( 189) = ( -0.0899663 0.1148369 0.1458816), wk = 0.0019305 k( 190) = ( -0.0852312 0.1087929 0.1382036), wk = 0.0019305 k( 191) = ( -0.0804961 0.1027488 0.1305257), wk = 0.0019305 k( 192) = ( -0.0757611 0.0967048 0.1228477), wk = 0.0019305 k( 193) = ( -0.0710260 0.0906607 0.1151697), wk = 0.0019305 k( 194) = ( -0.0662909 0.0846167 0.1074917), wk = 0.0019305 k( 195) = ( -0.0615559 0.0785726 0.0998137), wk = 0.0019305 k( 196) = ( -0.0568208 0.0725286 0.0921358), wk = 0.0019305 k( 197) = ( -0.0520857 0.0664845 0.0844578), wk = 0.0019305 k( 198) = ( -0.0473507 0.0604405 0.0767798), wk = 0.0019305 k( 199) = ( -0.0426156 0.0543964 0.0691018), wk = 0.0019305 k( 200) = ( -0.0378805 0.0483524 0.0614238), wk = 0.0019305 k( 201) = ( -0.0331455 0.0423083 0.0537459), wk = 0.0019305 k( 202) = ( -0.0284104 0.0362643 0.0460679), wk = 0.0019305 k( 203) = ( -0.0236753 0.0302202 0.0383899), wk = 0.0019305 k( 204) = ( -0.0189403 0.0241762 0.0307119), wk = 0.0019305 k( 205) = ( -0.0142052 0.0181321 0.0230339), wk = 0.0019305 k( 206) = ( -0.0094701 0.0120881 0.0153560), wk = 0.0019305 k( 207) = ( -0.0047351 0.0060441 0.0076780), wk = 0.0019305 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019305 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019305 k( 210) = ( 0.0084746 0.0066392 0.0000000), wk = 0.0019305 k( 211) = ( 0.0169491 0.0132784 0.0000000), wk = 0.0019305 k( 212) = ( 0.0254237 0.0199176 0.0000000), wk = 0.0019305 k( 213) = ( 0.0338983 0.0265568 0.0000000), wk = 0.0019305 k( 214) = ( 0.0423729 0.0331960 0.0000000), wk = 0.0019305 k( 215) = ( 0.0508475 0.0398352 0.0000000), wk = 0.0019305 k( 216) = ( 0.0593220 0.0464745 0.0000000), wk = 0.0019305 k( 217) = ( 0.0677966 0.0531137 0.0000000), wk = 0.0019305 k( 218) = ( 0.0762712 0.0597529 0.0000000), wk = 0.0019305 k( 219) = ( 0.0847458 0.0663921 0.0000000), wk = 0.0019305 k( 220) = ( 0.0932203 0.0730313 0.0000000), wk = 0.0019305 k( 221) = ( 0.1016949 0.0796705 0.0000000), wk = 0.0019305 k( 222) = ( 0.1101695 0.0863097 0.0000000), wk = 0.0019305 k( 223) = ( 0.1186441 0.0929489 0.0000000), wk = 0.0019305 k( 224) = ( 0.1271186 0.0995881 0.0000000), wk = 0.0019305 k( 225) = ( 0.1355932 0.1062273 0.0000000), wk = 0.0019305 k( 226) = ( 0.1440678 0.1128665 0.0000000), wk = 0.0019305 k( 227) = ( 0.1525424 0.1195057 0.0000000), wk = 0.0019305 k( 228) = ( 0.1610169 0.1261449 0.0000000), wk = 0.0019305 k( 229) = ( 0.1694915 0.1327842 0.0000000), wk = 0.0019305 k( 230) = ( 0.1779661 0.1394234 0.0000000), wk = 0.0019305 k( 231) = ( 0.1864407 0.1460626 0.0000000), wk = 0.0019305 k( 232) = ( 0.1949153 0.1527018 0.0000000), wk = 0.0019305 k( 233) = ( 0.2033898 0.1593410 0.0000000), wk = 0.0019305 k( 234) = ( 0.2118644 0.1659802 0.0000000), wk = 0.0019305 k( 235) = ( 0.2203390 0.1726194 0.0000000), wk = 0.0019305 k( 236) = ( 0.2288136 0.1792586 0.0000000), wk = 0.0019305 k( 237) = ( 0.2372881 0.1858978 0.0000000), wk = 0.0019305 k( 238) = ( 0.2457627 0.1925370 0.0000000), wk = 0.0019305 k( 239) = ( 0.2542373 0.1991762 0.0000000), wk = 0.0019305 k( 240) = ( 0.2627119 0.2058154 0.0000000), wk = 0.0019305 k( 241) = ( 0.2711864 0.2124546 0.0000000), wk = 0.0019305 k( 242) = ( 0.2796610 0.2190939 0.0000000), wk = 0.0019305 k( 243) = ( 0.2881356 0.2257331 0.0000000), wk = 0.0019305 k( 244) = ( 0.2966102 0.2323723 0.0000000), wk = 0.0019305 k( 245) = ( 0.3050848 0.2390115 0.0000000), wk = 0.0019305 k( 246) = ( 0.3135593 0.2456507 0.0000000), wk = 0.0019305 k( 247) = ( 0.3220339 0.2522899 0.0000000), wk = 0.0019305 k( 248) = ( 0.3305085 0.2589291 0.0000000), wk = 0.0019305 k( 249) = ( 0.3389831 0.2655683 0.0000000), wk = 0.0019305 k( 250) = ( 0.3474576 0.2722075 0.0000000), wk = 0.0019305 k( 251) = ( 0.3559322 0.2788467 0.0000000), wk = 0.0019305 k( 252) = ( 0.3644068 0.2854859 0.0000000), wk = 0.0019305 k( 253) = ( 0.3728814 0.2921251 0.0000000), wk = 0.0019305 k( 254) = ( 0.3813559 0.2987643 0.0000000), wk = 0.0019305 k( 255) = ( 0.3898305 0.3054036 0.0000000), wk = 0.0019305 k( 256) = ( 0.3983051 0.3120428 0.0000000), wk = 0.0019305 k( 257) = ( 0.4067797 0.3186820 0.0000000), wk = 0.0019305 k( 258) = ( 0.4152542 0.3253212 0.0000000), wk = 0.0019305 k( 259) = ( 0.4237288 0.3319604 0.0000000), wk = 0.0019305 k( 260) = ( 0.4322034 0.3385996 0.0000000), wk = 0.0019305 k( 261) = ( 0.4406780 0.3452388 0.0000000), wk = 0.0019305 k( 262) = ( 0.4491525 0.3518780 0.0000000), wk = 0.0019305 k( 263) = ( 0.4576271 0.3585172 0.0000000), wk = 0.0019305 k( 264) = ( 0.4661017 0.3651564 0.0000000), wk = 0.0019305 k( 265) = ( 0.4745763 0.3717956 0.0000000), wk = 0.0019305 k( 266) = ( 0.4830508 0.3784348 0.0000000), wk = 0.0019305 k( 267) = ( 0.4915254 0.3850740 0.0000000), wk = 0.0019305 k( 268) = ( 0.5000000 0.3917132 0.0000000), wk = 0.0019305 k( 269) = ( 0.5000000 0.3917132 0.0000000), wk = 0.0019305 k( 270) = ( 0.4953167 0.3976912 0.0075940), wk = 0.0019305 k( 271) = ( 0.4906335 0.4036691 0.0151879), wk = 0.0019305 k( 272) = ( 0.4859502 0.4096470 0.0227819), wk = 0.0019305 k( 273) = ( 0.4812670 0.4156249 0.0303758), wk = 0.0019305 k( 274) = ( 0.4765837 0.4216028 0.0379698), wk = 0.0019305 k( 275) = ( 0.4719005 0.4275807 0.0455638), wk = 0.0019305 k( 276) = ( 0.4672172 0.4335586 0.0531577), wk = 0.0019305 k( 277) = ( 0.4625340 0.4395365 0.0607517), wk = 0.0019305 k( 278) = ( 0.4578507 0.4455144 0.0683457), wk = 0.0019305 k( 279) = ( 0.4531675 0.4514923 0.0759396), wk = 0.0019305 k( 280) = ( 0.4484842 0.4574703 0.0835336), wk = 0.0019305 k( 281) = ( 0.4438010 0.4634482 0.0911276), wk = 0.0019305 k( 282) = ( 0.4391177 0.4694261 0.0987215), wk = 0.0019305 k( 283) = ( 0.4344345 0.4754040 0.1063155), wk = 0.0019305 k( 284) = ( 0.4297512 0.4813819 0.1139094), wk = 0.0019305 k( 285) = ( 0.4250680 0.4873598 0.1215034), wk = 0.0019305 k( 286) = ( 0.4203847 0.4933377 0.1290974), wk = 0.0019305 k( 287) = ( 0.4157014 0.4993156 0.1366913), wk = 0.0019305 k( 288) = ( 0.4110182 0.5052935 0.1442853), wk = 0.0019305 k( 289) = ( 0.4063349 0.5112714 0.1518792), wk = 0.0019305 k( 290) = ( 0.4016517 0.5172494 0.1594732), wk = 0.0019305 k( 291) = ( 0.3969684 0.5232273 0.1670672), wk = 0.0019305 k( 292) = ( 0.3922852 0.5292052 0.1746611), wk = 0.0019305 k( 293) = ( 0.3876019 0.5351831 0.1822551), wk = 0.0019305 k( 294) = ( 0.3829187 0.5411610 0.1898491), wk = 0.0019305 k( 295) = ( 0.3782354 0.5471389 0.1974430), wk = 0.0019305 k( 296) = ( 0.3735522 0.5531168 0.2050370), wk = 0.0019305 k( 297) = ( 0.3688689 0.5590947 0.2126310), wk = 0.0019305 k( 298) = ( 0.3641857 0.5650726 0.2202249), wk = 0.0019305 k( 299) = ( 0.3595024 0.5710505 0.2278189), wk = 0.0019305 k( 300) = ( 0.3548192 0.5770285 0.2354128), wk = 0.0019305 k( 301) = ( 0.3501359 0.5830064 0.2430068), wk = 0.0019305 k( 302) = ( 0.3454527 0.5889843 0.2506008), wk = 0.0019305 k( 303) = ( 0.3407694 0.5949622 0.2581947), wk = 0.0019305 k( 304) = ( 0.3360861 0.6009401 0.2657887), wk = 0.0019305 k( 305) = ( 0.3314029 0.6069180 0.2733826), wk = 0.0019305 k( 306) = ( 0.3267196 0.6128959 0.2809766), wk = 0.0019305 k( 307) = ( 0.3267196 0.6128959 0.2809766), wk = 0.0019305 k( 308) = ( 0.3171102 0.6100157 0.2846355), wk = 0.0019305 k( 309) = ( 0.3075008 0.6071354 0.2882944), wk = 0.0019305 k( 310) = ( 0.2978914 0.6042552 0.2919533), wk = 0.0019305 k( 311) = ( 0.2882820 0.6013749 0.2956121), wk = 0.0019305 k( 312) = ( 0.2786726 0.5984947 0.2992710), wk = 0.0019305 k( 313) = ( 0.2690632 0.5956145 0.3029299), wk = 0.0019305 k( 314) = ( 0.2594538 0.5927342 0.3065888), wk = 0.0019305 k( 315) = ( 0.2498444 0.5898540 0.3102477), wk = 0.0019305 k( 316) = ( 0.2402350 0.5869737 0.3139065), wk = 0.0019305 k( 317) = ( 0.2306256 0.5840935 0.3175654), wk = 0.0019305 k( 318) = ( 0.2210162 0.5812132 0.3212243), wk = 0.0019305 k( 319) = ( 0.2114068 0.5783330 0.3248832), wk = 0.0019305 k( 320) = ( 0.2017974 0.5754527 0.3285421), wk = 0.0019305 k( 321) = ( 0.1921880 0.5725725 0.3322010), wk = 0.0019305 k( 322) = ( 0.1825786 0.5696923 0.3358599), wk = 0.0019305 k( 323) = ( 0.1729692 0.5668120 0.3395187), wk = 0.0019305 k( 324) = ( 0.1633598 0.5639318 0.3431776), wk = 0.0019305 k( 325) = ( 0.1537504 0.5610515 0.3468365), wk = 0.0019305 k( 326) = ( 0.1441410 0.5581713 0.3504954), wk = 0.0019305 k( 327) = ( 0.1345316 0.5552910 0.3541543), wk = 0.0019305 k( 328) = ( 0.1249222 0.5524108 0.3578131), wk = 0.0019305 k( 329) = ( 0.1153128 0.5495305 0.3614720), wk = 0.0019305 k( 330) = ( 0.1057034 0.5466503 0.3651309), wk = 0.0019305 k( 331) = ( 0.0960940 0.5437700 0.3687898), wk = 0.0019305 k( 332) = ( 0.0864846 0.5408898 0.3724487), wk = 0.0019305 k( 333) = ( 0.0768752 0.5380096 0.3761076), wk = 0.0019305 k( 334) = ( 0.0672658 0.5351293 0.3797664), wk = 0.0019305 k( 335) = ( 0.0576564 0.5322491 0.3834253), wk = 0.0019305 k( 336) = ( 0.0480470 0.5293688 0.3870842), wk = 0.0019305 k( 337) = ( 0.0384376 0.5264886 0.3907431), wk = 0.0019305 k( 338) = ( 0.0288282 0.5236083 0.3944020), wk = 0.0019305 k( 339) = ( 0.0192188 0.5207281 0.3980608), wk = 0.0019305 k( 340) = ( 0.0096094 0.5178479 0.4017197), wk = 0.0019305 k( 341) = ( 0.0000000 0.5149676 0.4053786), wk = 0.0019305 k( 342) = ( 0.0000000 0.5149676 0.4053786), wk = 0.0019305 k( 343) = ( 0.0047170 0.5089466 0.4130273), wk = 0.0019305 k( 344) = ( 0.0094340 0.5029257 0.4206759), wk = 0.0019305 k( 345) = ( 0.0141509 0.4969047 0.4283246), wk = 0.0019305 k( 346) = ( 0.0188679 0.4908838 0.4359732), wk = 0.0019305 k( 347) = ( 0.0235849 0.4848628 0.4436219), wk = 0.0019305 k( 348) = ( 0.0283019 0.4788418 0.4512705), wk = 0.0019305 k( 349) = ( 0.0330189 0.4728209 0.4589192), wk = 0.0019305 k( 350) = ( 0.0377359 0.4667999 0.4665678), wk = 0.0019305 k( 351) = ( 0.0424528 0.4607790 0.4742165), wk = 0.0019305 k( 352) = ( 0.0471698 0.4547580 0.4818651), wk = 0.0019305 k( 353) = ( 0.0518868 0.4487370 0.4895138), wk = 0.0019305 k( 354) = ( 0.0566038 0.4427161 0.4971624), wk = 0.0019305 k( 355) = ( 0.0613208 0.4366951 0.5048111), wk = 0.0019305 k( 356) = ( 0.0660377 0.4306741 0.5124598), wk = 0.0019305 k( 357) = ( 0.0707547 0.4246532 0.5201084), wk = 0.0019305 k( 358) = ( 0.0754717 0.4186322 0.5277571), wk = 0.0019305 k( 359) = ( 0.0801887 0.4126113 0.5354057), wk = 0.0019305 k( 360) = ( 0.0849057 0.4065903 0.5430544), wk = 0.0019305 k( 361) = ( 0.0896226 0.4005693 0.5507030), wk = 0.0019305 k( 362) = ( 0.0943396 0.3945484 0.5583517), wk = 0.0019305 k( 363) = ( 0.0990566 0.3885274 0.5660003), wk = 0.0019305 k( 364) = ( 0.1037736 0.3825065 0.5736490), wk = 0.0019305 k( 365) = ( 0.1084906 0.3764855 0.5812976), wk = 0.0019305 k( 366) = ( 0.1132076 0.3704645 0.5889463), wk = 0.0019305 k( 367) = ( 0.1179245 0.3644436 0.5965949), wk = 0.0019305 k( 368) = ( 0.1226415 0.3584226 0.6042436), wk = 0.0019305 k( 369) = ( 0.1273585 0.3524016 0.6118922), wk = 0.0019305 k( 370) = ( 0.1320755 0.3463807 0.6195409), wk = 0.0019305 k( 371) = ( 0.1367925 0.3403597 0.6271895), wk = 0.0019305 k( 372) = ( 0.1415094 0.3343388 0.6348382), wk = 0.0019305 k( 373) = ( 0.1462264 0.3283178 0.6424869), wk = 0.0019305 k( 374) = ( 0.1509434 0.3222968 0.6501355), wk = 0.0019305 k( 375) = ( 0.1556604 0.3162759 0.6577842), wk = 0.0019305 k( 376) = ( 0.1603774 0.3102549 0.6654328), wk = 0.0019305 k( 377) = ( 0.1650943 0.3042339 0.6730815), wk = 0.0019305 k( 378) = ( 0.1698113 0.2982130 0.6807301), wk = 0.0019305 k( 379) = ( 0.1745283 0.2921920 0.6883788), wk = 0.0019305 k( 380) = ( 0.1792453 0.2861711 0.6960274), wk = 0.0019305 k( 381) = ( 0.1839623 0.2801501 0.7036761), wk = 0.0019305 k( 382) = ( 0.1886792 0.2741291 0.7113247), wk = 0.0019305 k( 383) = ( 0.1933962 0.2681082 0.7189734), wk = 0.0019305 k( 384) = ( 0.1981132 0.2620872 0.7266220), wk = 0.0019305 k( 385) = ( 0.2028302 0.2560662 0.7342707), wk = 0.0019305 k( 386) = ( 0.2075472 0.2500453 0.7419193), wk = 0.0019305 k( 387) = ( 0.2122642 0.2440243 0.7495680), wk = 0.0019305 k( 388) = ( 0.2169811 0.2380034 0.7572166), wk = 0.0019305 k( 389) = ( 0.2216981 0.2319824 0.7648653), wk = 0.0019305 k( 390) = ( 0.2264151 0.2259614 0.7725140), wk = 0.0019305 k( 391) = ( 0.2311321 0.2199405 0.7801626), wk = 0.0019305 k( 392) = ( 0.2358491 0.2139195 0.7878113), wk = 0.0019305 k( 393) = ( 0.2405660 0.2078985 0.7954599), wk = 0.0019305 k( 394) = ( 0.2452830 0.2018776 0.8031086), wk = 0.0019305 k( 395) = ( 0.2500000 0.1958566 0.8107572), wk = 0.0019305 k( 396) = ( 0.2500000 0.1958566 0.8107572), wk = 0.0019305 k( 397) = ( 0.2565789 0.2010107 0.8042098), wk = 0.0019305 k( 398) = ( 0.2631579 0.2061649 0.7976623), wk = 0.0019305 k( 399) = ( 0.2697368 0.2113190 0.7911148), wk = 0.0019305 k( 400) = ( 0.2763158 0.2164731 0.7845673), wk = 0.0019305 k( 401) = ( 0.2828947 0.2216272 0.7780199), wk = 0.0019305 k( 402) = ( 0.2894737 0.2267814 0.7714724), wk = 0.0019305 k( 403) = ( 0.2960526 0.2319355 0.7649249), wk = 0.0019305 k( 404) = ( 0.3026316 0.2370896 0.7583774), wk = 0.0019305 k( 405) = ( 0.3092105 0.2422437 0.7518300), wk = 0.0019305 k( 406) = ( 0.3157895 0.2473978 0.7452825), wk = 0.0019305 k( 407) = ( 0.3223684 0.2525520 0.7387350), wk = 0.0019305 k( 408) = ( 0.3289474 0.2577061 0.7321876), wk = 0.0019305 k( 409) = ( 0.3355263 0.2628602 0.7256401), wk = 0.0019305 k( 410) = ( 0.3421053 0.2680143 0.7190926), wk = 0.0019305 k( 411) = ( 0.3486842 0.2731684 0.7125451), wk = 0.0019305 k( 412) = ( 0.3552632 0.2783226 0.7059976), wk = 0.0019305 k( 413) = ( 0.3618421 0.2834767 0.6994502), wk = 0.0019305 k( 414) = ( 0.3684211 0.2886308 0.6929027), wk = 0.0019305 k( 415) = ( 0.3750000 0.2937849 0.6863552), wk = 0.0019305 k( 416) = ( 0.3815789 0.2989391 0.6798078), wk = 0.0019305 k( 417) = ( 0.3881579 0.3040932 0.6732603), wk = 0.0019305 k( 418) = ( 0.3947368 0.3092473 0.6667128), wk = 0.0019305 k( 419) = ( 0.4013158 0.3144014 0.6601653), wk = 0.0019305 k( 420) = ( 0.4078947 0.3195555 0.6536179), wk = 0.0019305 k( 421) = ( 0.4144737 0.3247097 0.6470704), wk = 0.0019305 k( 422) = ( 0.4210526 0.3298638 0.6405229), wk = 0.0019305 k( 423) = ( 0.4276316 0.3350179 0.6339754), wk = 0.0019305 k( 424) = ( 0.4342105 0.3401720 0.6274280), wk = 0.0019305 k( 425) = ( 0.4407895 0.3453262 0.6208805), wk = 0.0019305 k( 426) = ( 0.4473684 0.3504803 0.6143330), wk = 0.0019305 k( 427) = ( 0.4539474 0.3556344 0.6077855), wk = 0.0019305 k( 428) = ( 0.4605263 0.3607885 0.6012381), wk = 0.0019305 k( 429) = ( 0.4671053 0.3659426 0.5946906), wk = 0.0019305 k( 430) = ( 0.4736842 0.3710968 0.5881431), wk = 0.0019305 k( 431) = ( 0.4802632 0.3762509 0.5815957), wk = 0.0019305 k( 432) = ( 0.4868421 0.3814050 0.5750482), wk = 0.0019305 k( 433) = ( 0.4934211 0.3865591 0.5685007), wk = 0.0019305 k( 434) = ( 0.5000000 0.3917132 0.5619532), wk = 0.0019305 k( 435) = ( 0.5000000 0.3917132 0.5619532), wk = 0.0019305 k( 436) = ( 0.5000000 0.3917132 0.5511464), wk = 0.0019305 k( 437) = ( 0.5000000 0.3917132 0.5403396), wk = 0.0019305 k( 438) = ( 0.5000000 0.3917132 0.5295328), wk = 0.0019305 k( 439) = ( 0.5000000 0.3917132 0.5187261), wk = 0.0019305 k( 440) = ( 0.5000000 0.3917132 0.5079193), wk = 0.0019305 k( 441) = ( 0.5000000 0.3917132 0.4971125), wk = 0.0019305 k( 442) = ( 0.5000000 0.3917132 0.4863057), wk = 0.0019305 k( 443) = ( 0.5000000 0.3917132 0.4754989), wk = 0.0019305 k( 444) = ( 0.5000000 0.3917132 0.4646921), wk = 0.0019305 k( 445) = ( 0.5000000 0.3917132 0.4538853), wk = 0.0019305 k( 446) = ( 0.5000000 0.3917132 0.4430785), wk = 0.0019305 k( 447) = ( 0.5000000 0.3917132 0.4322717), wk = 0.0019305 k( 448) = ( 0.5000000 0.3917132 0.4214649), wk = 0.0019305 k( 449) = ( 0.5000000 0.3917132 0.4106581), wk = 0.0019305 k( 450) = ( 0.5000000 0.3917132 0.3998513), wk = 0.0019305 k( 451) = ( 0.5000000 0.3917132 0.3890445), wk = 0.0019305 k( 452) = ( 0.5000000 0.3917132 0.3782378), wk = 0.0019305 k( 453) = ( 0.5000000 0.3917132 0.3674310), wk = 0.0019305 k( 454) = ( 0.5000000 0.3917132 0.3566242), wk = 0.0019305 k( 455) = ( 0.5000000 0.3917132 0.3458174), wk = 0.0019305 k( 456) = ( 0.5000000 0.3917132 0.3350106), wk = 0.0019305 k( 457) = ( 0.5000000 0.3917132 0.3242038), wk = 0.0019305 k( 458) = ( 0.5000000 0.3917132 0.3133970), wk = 0.0019305 k( 459) = ( 0.5000000 0.3917132 0.3025902), wk = 0.0019305 k( 460) = ( 0.5000000 0.3917132 0.2917834), wk = 0.0019305 k( 461) = ( 0.5000000 0.3917132 0.2809766), wk = 0.0019305 k( 462) = ( 0.5000000 0.3917132 0.2701698), wk = 0.0019305 k( 463) = ( 0.5000000 0.3917132 0.2593630), wk = 0.0019305 k( 464) = ( 0.5000000 0.3917132 0.2485562), wk = 0.0019305 k( 465) = ( 0.5000000 0.3917132 0.2377494), wk = 0.0019305 k( 466) = ( 0.5000000 0.3917132 0.2269427), wk = 0.0019305 k( 467) = ( 0.5000000 0.3917132 0.2161359), wk = 0.0019305 k( 468) = ( 0.5000000 0.3917132 0.2053291), wk = 0.0019305 k( 469) = ( 0.5000000 0.3917132 0.1945223), wk = 0.0019305 k( 470) = ( 0.5000000 0.3917132 0.1837155), wk = 0.0019305 k( 471) = ( 0.5000000 0.3917132 0.1729087), wk = 0.0019305 k( 472) = ( 0.5000000 0.3917132 0.1621019), wk = 0.0019305 k( 473) = ( 0.5000000 0.3917132 0.1512951), wk = 0.0019305 k( 474) = ( 0.5000000 0.3917132 0.1404883), wk = 0.0019305 k( 475) = ( 0.5000000 0.3917132 0.1296815), wk = 0.0019305 k( 476) = ( 0.5000000 0.3917132 0.1188747), wk = 0.0019305 k( 477) = ( 0.5000000 0.3917132 0.1080679), wk = 0.0019305 k( 478) = ( 0.5000000 0.3917132 0.0972611), wk = 0.0019305 k( 479) = ( 0.5000000 0.3917132 0.0864544), wk = 0.0019305 k( 480) = ( 0.5000000 0.3917132 0.0756476), wk = 0.0019305 k( 481) = ( 0.5000000 0.3917132 0.0648408), wk = 0.0019305 k( 482) = ( 0.5000000 0.3917132 0.0540340), wk = 0.0019305 k( 483) = ( 0.5000000 0.3917132 0.0432272), wk = 0.0019305 k( 484) = ( 0.5000000 0.3917132 0.0324204), wk = 0.0019305 k( 485) = ( 0.5000000 0.3917132 0.0216136), wk = 0.0019305 k( 486) = ( 0.5000000 0.3917132 0.0108068), wk = 0.0019305 k( 487) = ( 0.5000000 0.3917132 0.0000000), wk = 0.0019305 k( 488) = ( 0.0000000 0.0000000 0.8107572), wk = 0.0019305 k( 489) = ( 0.0083333 0.0065286 0.8107572), wk = 0.0019305 k( 490) = ( 0.0166667 0.0130571 0.8107572), wk = 0.0019305 k( 491) = ( 0.0250000 0.0195857 0.8107572), wk = 0.0019305 k( 492) = ( 0.0333333 0.0261142 0.8107572), wk = 0.0019305 k( 493) = ( 0.0416667 0.0326428 0.8107572), wk = 0.0019305 k( 494) = ( 0.0500000 0.0391713 0.8107572), wk = 0.0019305 k( 495) = ( 0.0583333 0.0456999 0.8107572), wk = 0.0019305 k( 496) = ( 0.0666667 0.0522284 0.8107572), wk = 0.0019305 k( 497) = ( 0.0750000 0.0587570 0.8107572), wk = 0.0019305 k( 498) = ( 0.0833333 0.0652855 0.8107572), wk = 0.0019305 k( 499) = ( 0.0916667 0.0718141 0.8107572), wk = 0.0019305 k( 500) = ( 0.1000000 0.0783426 0.8107572), wk = 0.0019305 k( 501) = ( 0.1083333 0.0848712 0.8107572), wk = 0.0019305 k( 502) = ( 0.1166667 0.0913998 0.8107572), wk = 0.0019305 k( 503) = ( 0.1250000 0.0979283 0.8107572), wk = 0.0019305 k( 504) = ( 0.1333333 0.1044569 0.8107572), wk = 0.0019305 k( 505) = ( 0.1416667 0.1109854 0.8107572), wk = 0.0019305 k( 506) = ( 0.1500000 0.1175140 0.8107572), wk = 0.0019305 k( 507) = ( 0.1583333 0.1240425 0.8107572), wk = 0.0019305 k( 508) = ( 0.1666667 0.1305711 0.8107572), wk = 0.0019305 k( 509) = ( 0.1750000 0.1370996 0.8107572), wk = 0.0019305 k( 510) = ( 0.1833333 0.1436282 0.8107572), wk = 0.0019305 k( 511) = ( 0.1916667 0.1501567 0.8107572), wk = 0.0019305 k( 512) = ( 0.2000000 0.1566853 0.8107572), wk = 0.0019305 k( 513) = ( 0.2083333 0.1632139 0.8107572), wk = 0.0019305 k( 514) = ( 0.2166667 0.1697424 0.8107572), wk = 0.0019305 k( 515) = ( 0.2250000 0.1762710 0.8107572), wk = 0.0019305 k( 516) = ( 0.2333333 0.1827995 0.8107572), wk = 0.0019305 k( 517) = ( 0.2416667 0.1893281 0.8107572), wk = 0.0019305 k( 518) = ( 0.2500000 0.1958566 0.8107572), wk = 0.0019305 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019305 k( 2) = ( 0.0000000 0.0000000 0.0066667), wk = 0.0019305 k( 3) = ( 0.0000000 0.0000000 0.0133333), wk = 0.0019305 k( 4) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0019305 k( 5) = ( 0.0000000 0.0000000 0.0266667), wk = 0.0019305 k( 6) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0019305 k( 7) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0019305 k( 8) = ( 0.0000000 0.0000000 0.0466667), wk = 0.0019305 k( 9) = ( 0.0000000 0.0000000 0.0533333), wk = 0.0019305 k( 10) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0019305 k( 11) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0019305 k( 12) = ( 0.0000000 0.0000000 0.0733333), wk = 0.0019305 k( 13) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0019305 k( 14) = ( 0.0000000 0.0000000 0.0866667), wk = 0.0019305 k( 15) = ( 0.0000000 0.0000000 0.0933333), wk = 0.0019305 k( 16) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0019305 k( 17) = ( 0.0000000 0.0000000 0.1066667), wk = 0.0019305 k( 18) = ( 0.0000000 0.0000000 0.1133333), wk = 0.0019305 k( 19) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0019305 k( 20) = ( 0.0000000 0.0000000 0.1266667), wk = 0.0019305 k( 21) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0019305 k( 22) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0019305 k( 23) = ( 0.0000000 0.0000000 0.1466667), wk = 0.0019305 k( 24) = ( 0.0000000 0.0000000 0.1533333), wk = 0.0019305 k( 25) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0019305 k( 26) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0019305 k( 27) = ( 0.0000000 0.0000000 0.1733333), wk = 0.0019305 k( 28) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0019305 k( 29) = ( 0.0000000 0.0000000 0.1866667), wk = 0.0019305 k( 30) = ( 0.0000000 0.0000000 0.1933333), wk = 0.0019305 k( 31) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0019305 k( 32) = ( 0.0000000 0.0000000 0.2066667), wk = 0.0019305 k( 33) = ( 0.0000000 0.0000000 0.2133333), wk = 0.0019305 k( 34) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0019305 k( 35) = ( 0.0000000 0.0000000 0.2266667), wk = 0.0019305 k( 36) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0019305 k( 37) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0019305 k( 38) = ( 0.0000000 0.0000000 0.2466667), wk = 0.0019305 k( 39) = ( 0.0000000 0.0000000 0.2533333), wk = 0.0019305 k( 40) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0019305 k( 41) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0019305 k( 42) = ( 0.0000000 0.0000000 0.2733333), wk = 0.0019305 k( 43) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0019305 k( 44) = ( 0.0000000 0.0000000 0.2866667), wk = 0.0019305 k( 45) = ( 0.0000000 0.0000000 0.2933333), wk = 0.0019305 k( 46) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0019305 k( 47) = ( 0.0000000 0.0000000 0.3066667), wk = 0.0019305 k( 48) = ( 0.0000000 0.0000000 0.3133333), wk = 0.0019305 k( 49) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0019305 k( 50) = ( 0.0000000 0.0000000 0.3266667), wk = 0.0019305 k( 51) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0019305 k( 52) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0019305 k( 53) = ( 0.0000000 0.0000000 0.3466667), wk = 0.0019305 k( 54) = ( 0.0000000 0.0000000 0.3533333), wk = 0.0019305 k( 55) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0019305 k( 56) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0019305 k( 57) = ( 0.0000000 0.0000000 0.3733333), wk = 0.0019305 k( 58) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0019305 k( 59) = ( 0.0000000 0.0000000 0.3866667), wk = 0.0019305 k( 60) = ( 0.0000000 0.0000000 0.3933333), wk = 0.0019305 k( 61) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0019305 k( 62) = ( 0.0000000 0.0000000 0.4066667), wk = 0.0019305 k( 63) = ( 0.0000000 0.0000000 0.4133333), wk = 0.0019305 k( 64) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0019305 k( 65) = ( 0.0000000 0.0000000 0.4266667), wk = 0.0019305 k( 66) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0019305 k( 67) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0019305 k( 68) = ( 0.0000000 0.0000000 0.4466667), wk = 0.0019305 k( 69) = ( 0.0000000 0.0000000 0.4533333), wk = 0.0019305 k( 70) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0019305 k( 71) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0019305 k( 72) = ( 0.0000000 0.0000000 0.4733333), wk = 0.0019305 k( 73) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0019305 k( 74) = ( 0.0000000 0.0000000 0.4866667), wk = 0.0019305 k( 75) = ( 0.0000000 0.0000000 0.4933333), wk = 0.0019305 k( 76) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019305 k( 77) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019305 k( 78) = ( -0.0066713 0.0066713 0.5000000), wk = 0.0019305 k( 79) = ( -0.0133425 0.0133426 0.5000000), wk = 0.0019305 k( 80) = ( -0.0200138 0.0200138 0.5000000), wk = 0.0019305 k( 81) = ( -0.0266851 0.0266851 0.5000000), wk = 0.0019305 k( 82) = ( -0.0333564 0.0333564 0.5000000), wk = 0.0019305 k( 83) = ( -0.0400276 0.0400276 0.5000000), wk = 0.0019305 k( 84) = ( -0.0466989 0.0466989 0.5000000), wk = 0.0019305 k( 85) = ( -0.0533702 0.0533702 0.5000000), wk = 0.0019305 k( 86) = ( -0.0600415 0.0600414 0.5000000), wk = 0.0019305 k( 87) = ( -0.0667127 0.0667127 0.5000000), wk = 0.0019305 k( 88) = ( -0.0733840 0.0733840 0.5000000), wk = 0.0019305 k( 89) = ( -0.0800553 0.0800553 0.5000000), wk = 0.0019305 k( 90) = ( -0.0867265 0.0867265 0.5000000), wk = 0.0019305 k( 91) = ( -0.0933978 0.0933978 0.5000000), wk = 0.0019305 k( 92) = ( -0.1000691 0.1000691 0.5000000), wk = 0.0019305 k( 93) = ( -0.1067404 0.1067404 0.5000000), wk = 0.0019305 k( 94) = ( -0.1134116 0.1134116 0.5000000), wk = 0.0019305 k( 95) = ( -0.1200829 0.1200829 0.5000000), wk = 0.0019305 k( 96) = ( -0.1267542 0.1267542 0.5000000), wk = 0.0019305 k( 97) = ( -0.1334255 0.1334255 0.5000000), wk = 0.0019305 k( 98) = ( -0.1400967 0.1400967 0.5000000), wk = 0.0019305 k( 99) = ( -0.1467680 0.1467680 0.5000000), wk = 0.0019305 k( 100) = ( -0.1534393 0.1534393 0.5000000), wk = 0.0019305 k( 101) = ( -0.1534393 0.1534393 0.5000000), wk = 0.0019305 k( 102) = ( -0.1581225 0.1581225 0.4953168), wk = 0.0019305 k( 103) = ( -0.1628058 0.1628058 0.4906335), wk = 0.0019305 k( 104) = ( -0.1674890 0.1674890 0.4859502), wk = 0.0019305 k( 105) = ( -0.1721723 0.1721723 0.4812670), wk = 0.0019305 k( 106) = ( -0.1768555 0.1768555 0.4765837), wk = 0.0019305 k( 107) = ( -0.1815388 0.1815388 0.4719005), wk = 0.0019305 k( 108) = ( -0.1862220 0.1862220 0.4672172), wk = 0.0019305 k( 109) = ( -0.1909053 0.1909053 0.4625340), wk = 0.0019305 k( 110) = ( -0.1955885 0.1955885 0.4578507), wk = 0.0019305 k( 111) = ( -0.2002718 0.2002718 0.4531675), wk = 0.0019305 k( 112) = ( -0.2049550 0.2049550 0.4484842), wk = 0.0019305 k( 113) = ( -0.2096383 0.2096383 0.4438010), wk = 0.0019305 k( 114) = ( -0.2143216 0.2143216 0.4391177), wk = 0.0019305 k( 115) = ( -0.2190048 0.2190048 0.4344345), wk = 0.0019305 k( 116) = ( -0.2236881 0.2236881 0.4297512), wk = 0.0019305 k( 117) = ( -0.2283713 0.2283713 0.4250680), wk = 0.0019305 k( 118) = ( -0.2330546 0.2330546 0.4203847), wk = 0.0019305 k( 119) = ( -0.2377378 0.2377378 0.4157014), wk = 0.0019305 k( 120) = ( -0.2424211 0.2424211 0.4110182), wk = 0.0019305 k( 121) = ( -0.2471043 0.2471043 0.4063349), wk = 0.0019305 k( 122) = ( -0.2517876 0.2517876 0.4016517), wk = 0.0019305 k( 123) = ( -0.2564708 0.2564708 0.3969684), wk = 0.0019305 k( 124) = ( -0.2611541 0.2611541 0.3922852), wk = 0.0019305 k( 125) = ( -0.2658373 0.2658373 0.3876019), wk = 0.0019305 k( 126) = ( -0.2705206 0.2705206 0.3829187), wk = 0.0019305 k( 127) = ( -0.2752039 0.2752038 0.3782354), wk = 0.0019305 k( 128) = ( -0.2798871 0.2798871 0.3735522), wk = 0.0019305 k( 129) = ( -0.2845704 0.2845704 0.3688689), wk = 0.0019305 k( 130) = ( -0.2892536 0.2892536 0.3641857), wk = 0.0019305 k( 131) = ( -0.2939369 0.2939369 0.3595024), wk = 0.0019305 k( 132) = ( -0.2986201 0.2986201 0.3548192), wk = 0.0019305 k( 133) = ( -0.3033034 0.3033034 0.3501359), wk = 0.0019305 k( 134) = ( -0.3079866 0.3079866 0.3454527), wk = 0.0019305 k( 135) = ( -0.3126699 0.3126699 0.3407694), wk = 0.0019305 k( 136) = ( -0.3173531 0.3173531 0.3360861), wk = 0.0019305 k( 137) = ( -0.3220364 0.3220364 0.3314029), wk = 0.0019305 k( 138) = ( -0.3267196 0.3267196 0.3267196), wk = 0.0019305 k( 139) = ( -0.3267196 0.3267196 0.3267196), wk = 0.0019305 k( 140) = ( -0.3219846 0.3219846 0.3219846), wk = 0.0019305 k( 141) = ( -0.3172495 0.3172495 0.3172495), wk = 0.0019305 k( 142) = ( -0.3125144 0.3125144 0.3125144), wk = 0.0019305 k( 143) = ( -0.3077794 0.3077794 0.3077794), wk = 0.0019305 k( 144) = ( -0.3030443 0.3030443 0.3030443), wk = 0.0019305 k( 145) = ( -0.2983092 0.2983092 0.2983092), wk = 0.0019305 k( 146) = ( -0.2935742 0.2935742 0.2935742), wk = 0.0019305 k( 147) = ( -0.2888391 0.2888391 0.2888391), wk = 0.0019305 k( 148) = ( -0.2841040 0.2841040 0.2841040), wk = 0.0019305 k( 149) = ( -0.2793690 0.2793690 0.2793690), wk = 0.0019305 k( 150) = ( -0.2746339 0.2746339 0.2746339), wk = 0.0019305 k( 151) = ( -0.2698988 0.2698988 0.2698988), wk = 0.0019305 k( 152) = ( -0.2651638 0.2651638 0.2651638), wk = 0.0019305 k( 153) = ( -0.2604287 0.2604287 0.2604287), wk = 0.0019305 k( 154) = ( -0.2556936 0.2556936 0.2556936), wk = 0.0019305 k( 155) = ( -0.2509586 0.2509586 0.2509586), wk = 0.0019305 k( 156) = ( -0.2462235 0.2462235 0.2462235), wk = 0.0019305 k( 157) = ( -0.2414884 0.2414884 0.2414884), wk = 0.0019305 k( 158) = ( -0.2367534 0.2367534 0.2367534), wk = 0.0019305 k( 159) = ( -0.2320183 0.2320183 0.2320183), wk = 0.0019305 k( 160) = ( -0.2272832 0.2272832 0.2272832), wk = 0.0019305 k( 161) = ( -0.2225482 0.2225482 0.2225482), wk = 0.0019305 k( 162) = ( -0.2178131 0.2178131 0.2178131), wk = 0.0019305 k( 163) = ( -0.2130780 0.2130780 0.2130780), wk = 0.0019305 k( 164) = ( -0.2083430 0.2083430 0.2083430), wk = 0.0019305 k( 165) = ( -0.2036079 0.2036079 0.2036079), wk = 0.0019305 k( 166) = ( -0.1988728 0.1988728 0.1988728), wk = 0.0019305 k( 167) = ( -0.1941377 0.1941377 0.1941377), wk = 0.0019305 k( 168) = ( -0.1894027 0.1894027 0.1894027), wk = 0.0019305 k( 169) = ( -0.1846676 0.1846676 0.1846676), wk = 0.0019305 k( 170) = ( -0.1799325 0.1799325 0.1799326), wk = 0.0019305 k( 171) = ( -0.1751975 0.1751975 0.1751975), wk = 0.0019305 k( 172) = ( -0.1704624 0.1704624 0.1704624), wk = 0.0019305 k( 173) = ( -0.1657273 0.1657273 0.1657273), wk = 0.0019305 k( 174) = ( -0.1609923 0.1609923 0.1609923), wk = 0.0019305 k( 175) = ( -0.1562572 0.1562572 0.1562572), wk = 0.0019305 k( 176) = ( -0.1515221 0.1515221 0.1515222), wk = 0.0019305 k( 177) = ( -0.1467871 0.1467871 0.1467871), wk = 0.0019305 k( 178) = ( -0.1420520 0.1420520 0.1420520), wk = 0.0019305 k( 179) = ( -0.1373169 0.1373169 0.1373170), wk = 0.0019305 k( 180) = ( -0.1325819 0.1325819 0.1325819), wk = 0.0019305 k( 181) = ( -0.1278468 0.1278468 0.1278468), wk = 0.0019305 k( 182) = ( -0.1231118 0.1231118 0.1231118), wk = 0.0019305 k( 183) = ( -0.1183767 0.1183767 0.1183767), wk = 0.0019305 k( 184) = ( -0.1136416 0.1136416 0.1136416), wk = 0.0019305 k( 185) = ( -0.1089065 0.1089065 0.1089065), wk = 0.0019305 k( 186) = ( -0.1041715 0.1041715 0.1041715), wk = 0.0019305 k( 187) = ( -0.0994364 0.0994364 0.0994364), wk = 0.0019305 k( 188) = ( -0.0947013 0.0947013 0.0947013), wk = 0.0019305 k( 189) = ( -0.0899663 0.0899663 0.0899663), wk = 0.0019305 k( 190) = ( -0.0852312 0.0852312 0.0852312), wk = 0.0019305 k( 191) = ( -0.0804961 0.0804961 0.0804961), wk = 0.0019305 k( 192) = ( -0.0757611 0.0757611 0.0757611), wk = 0.0019305 k( 193) = ( -0.0710260 0.0710260 0.0710260), wk = 0.0019305 k( 194) = ( -0.0662909 0.0662909 0.0662909), wk = 0.0019305 k( 195) = ( -0.0615559 0.0615559 0.0615559), wk = 0.0019305 k( 196) = ( -0.0568208 0.0568208 0.0568208), wk = 0.0019305 k( 197) = ( -0.0520857 0.0520857 0.0520857), wk = 0.0019305 k( 198) = ( -0.0473507 0.0473507 0.0473507), wk = 0.0019305 k( 199) = ( -0.0426156 0.0426156 0.0426156), wk = 0.0019305 k( 200) = ( -0.0378805 0.0378805 0.0378805), wk = 0.0019305 k( 201) = ( -0.0331455 0.0331455 0.0331455), wk = 0.0019305 k( 202) = ( -0.0284104 0.0284104 0.0284104), wk = 0.0019305 k( 203) = ( -0.0236753 0.0236753 0.0236753), wk = 0.0019305 k( 204) = ( -0.0189403 0.0189403 0.0189403), wk = 0.0019305 k( 205) = ( -0.0142052 0.0142052 0.0142052), wk = 0.0019305 k( 206) = ( -0.0094701 0.0094701 0.0094701), wk = 0.0019305 k( 207) = ( -0.0047351 0.0047351 0.0047351), wk = 0.0019305 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019305 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019305 k( 210) = ( 0.0084746 0.0084746 -0.0084746), wk = 0.0019305 k( 211) = ( 0.0169491 0.0169491 -0.0169491), wk = 0.0019305 k( 212) = ( 0.0254237 0.0254237 -0.0254237), wk = 0.0019305 k( 213) = ( 0.0338983 0.0338983 -0.0338983), wk = 0.0019305 k( 214) = ( 0.0423729 0.0423729 -0.0423729), wk = 0.0019305 k( 215) = ( 0.0508475 0.0508475 -0.0508475), wk = 0.0019305 k( 216) = ( 0.0593220 0.0593220 -0.0593220), wk = 0.0019305 k( 217) = ( 0.0677966 0.0677966 -0.0677966), wk = 0.0019305 k( 218) = ( 0.0762712 0.0762712 -0.0762712), wk = 0.0019305 k( 219) = ( 0.0847458 0.0847458 -0.0847458), wk = 0.0019305 k( 220) = ( 0.0932203 0.0932203 -0.0932203), wk = 0.0019305 k( 221) = ( 0.1016949 0.1016949 -0.1016949), wk = 0.0019305 k( 222) = ( 0.1101695 0.1101695 -0.1101695), wk = 0.0019305 k( 223) = ( 0.1186441 0.1186441 -0.1186441), wk = 0.0019305 k( 224) = ( 0.1271186 0.1271186 -0.1271186), wk = 0.0019305 k( 225) = ( 0.1355932 0.1355932 -0.1355932), wk = 0.0019305 k( 226) = ( 0.1440678 0.1440678 -0.1440678), wk = 0.0019305 k( 227) = ( 0.1525424 0.1525424 -0.1525424), wk = 0.0019305 k( 228) = ( 0.1610169 0.1610169 -0.1610169), wk = 0.0019305 k( 229) = ( 0.1694915 0.1694915 -0.1694915), wk = 0.0019305 k( 230) = ( 0.1779661 0.1779661 -0.1779661), wk = 0.0019305 k( 231) = ( 0.1864407 0.1864407 -0.1864407), wk = 0.0019305 k( 232) = ( 0.1949153 0.1949152 -0.1949153), wk = 0.0019305 k( 233) = ( 0.2033898 0.2033898 -0.2033898), wk = 0.0019305 k( 234) = ( 0.2118644 0.2118644 -0.2118644), wk = 0.0019305 k( 235) = ( 0.2203390 0.2203390 -0.2203390), wk = 0.0019305 k( 236) = ( 0.2288136 0.2288136 -0.2288136), wk = 0.0019305 k( 237) = ( 0.2372881 0.2372881 -0.2372881), wk = 0.0019305 k( 238) = ( 0.2457627 0.2457627 -0.2457627), wk = 0.0019305 k( 239) = ( 0.2542373 0.2542373 -0.2542373), wk = 0.0019305 k( 240) = ( 0.2627119 0.2627119 -0.2627119), wk = 0.0019305 k( 241) = ( 0.2711864 0.2711864 -0.2711864), wk = 0.0019305 k( 242) = ( 0.2796610 0.2796610 -0.2796610), wk = 0.0019305 k( 243) = ( 0.2881356 0.2881356 -0.2881356), wk = 0.0019305 k( 244) = ( 0.2966102 0.2966102 -0.2966102), wk = 0.0019305 k( 245) = ( 0.3050848 0.3050847 -0.3050848), wk = 0.0019305 k( 246) = ( 0.3135593 0.3135593 -0.3135593), wk = 0.0019305 k( 247) = ( 0.3220339 0.3220339 -0.3220339), wk = 0.0019305 k( 248) = ( 0.3305085 0.3305085 -0.3305085), wk = 0.0019305 k( 249) = ( 0.3389831 0.3389830 -0.3389831), wk = 0.0019305 k( 250) = ( 0.3474576 0.3474576 -0.3474576), wk = 0.0019305 k( 251) = ( 0.3559322 0.3559322 -0.3559322), wk = 0.0019305 k( 252) = ( 0.3644068 0.3644068 -0.3644068), wk = 0.0019305 k( 253) = ( 0.3728814 0.3728814 -0.3728814), wk = 0.0019305 k( 254) = ( 0.3813559 0.3813559 -0.3813559), wk = 0.0019305 k( 255) = ( 0.3898305 0.3898305 -0.3898305), wk = 0.0019305 k( 256) = ( 0.3983051 0.3983051 -0.3983051), wk = 0.0019305 k( 257) = ( 0.4067797 0.4067797 -0.4067797), wk = 0.0019305 k( 258) = ( 0.4152542 0.4152542 -0.4152542), wk = 0.0019305 k( 259) = ( 0.4237288 0.4237288 -0.4237288), wk = 0.0019305 k( 260) = ( 0.4322034 0.4322034 -0.4322034), wk = 0.0019305 k( 261) = ( 0.4406780 0.4406780 -0.4406780), wk = 0.0019305 k( 262) = ( 0.4491525 0.4491525 -0.4491525), wk = 0.0019305 k( 263) = ( 0.4576271 0.4576271 -0.4576271), wk = 0.0019305 k( 264) = ( 0.4661017 0.4661017 -0.4661017), wk = 0.0019305 k( 265) = ( 0.4745763 0.4745763 -0.4745763), wk = 0.0019305 k( 266) = ( 0.4830508 0.4830508 -0.4830508), wk = 0.0019305 k( 267) = ( 0.4915254 0.4915254 -0.4915254), wk = 0.0019305 k( 268) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0019305 k( 269) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0019305 k( 270) = ( 0.4953167 0.5046832 -0.4953167), wk = 0.0019305 k( 271) = ( 0.4906335 0.5093665 -0.4906335), wk = 0.0019305 k( 272) = ( 0.4859502 0.5140498 -0.4859502), wk = 0.0019305 k( 273) = ( 0.4812670 0.5187330 -0.4812670), wk = 0.0019305 k( 274) = ( 0.4765837 0.5234163 -0.4765837), wk = 0.0019305 k( 275) = ( 0.4719005 0.5280995 -0.4719005), wk = 0.0019305 k( 276) = ( 0.4672172 0.5327828 -0.4672172), wk = 0.0019305 k( 277) = ( 0.4625340 0.5374660 -0.4625340), wk = 0.0019305 k( 278) = ( 0.4578507 0.5421493 -0.4578507), wk = 0.0019305 k( 279) = ( 0.4531675 0.5468325 -0.4531675), wk = 0.0019305 k( 280) = ( 0.4484842 0.5515158 -0.4484842), wk = 0.0019305 k( 281) = ( 0.4438010 0.5561990 -0.4438010), wk = 0.0019305 k( 282) = ( 0.4391177 0.5608823 -0.4391177), wk = 0.0019305 k( 283) = ( 0.4344345 0.5655655 -0.4344345), wk = 0.0019305 k( 284) = ( 0.4297512 0.5702488 -0.4297512), wk = 0.0019305 k( 285) = ( 0.4250680 0.5749321 -0.4250680), wk = 0.0019305 k( 286) = ( 0.4203847 0.5796153 -0.4203847), wk = 0.0019305 k( 287) = ( 0.4157014 0.5842986 -0.4157014), wk = 0.0019305 k( 288) = ( 0.4110182 0.5889818 -0.4110182), wk = 0.0019305 k( 289) = ( 0.4063349 0.5936651 -0.4063349), wk = 0.0019305 k( 290) = ( 0.4016517 0.5983483 -0.4016517), wk = 0.0019305 k( 291) = ( 0.3969684 0.6030316 -0.3969684), wk = 0.0019305 k( 292) = ( 0.3922852 0.6077148 -0.3922852), wk = 0.0019305 k( 293) = ( 0.3876019 0.6123981 -0.3876019), wk = 0.0019305 k( 294) = ( 0.3829187 0.6170813 -0.3829187), wk = 0.0019305 k( 295) = ( 0.3782354 0.6217646 -0.3782354), wk = 0.0019305 k( 296) = ( 0.3735522 0.6264478 -0.3735522), wk = 0.0019305 k( 297) = ( 0.3688689 0.6311311 -0.3688689), wk = 0.0019305 k( 298) = ( 0.3641857 0.6358143 -0.3641857), wk = 0.0019305 k( 299) = ( 0.3595024 0.6404976 -0.3595024), wk = 0.0019305 k( 300) = ( 0.3548192 0.6451809 -0.3548192), wk = 0.0019305 k( 301) = ( 0.3501359 0.6498641 -0.3501359), wk = 0.0019305 k( 302) = ( 0.3454527 0.6545473 -0.3454527), wk = 0.0019305 k( 303) = ( 0.3407694 0.6592306 -0.3407694), wk = 0.0019305 k( 304) = ( 0.3360861 0.6639139 -0.3360861), wk = 0.0019305 k( 305) = ( 0.3314029 0.6685971 -0.3314029), wk = 0.0019305 k( 306) = ( 0.3267196 0.6732804 -0.3267196), wk = 0.0019305 k( 307) = ( 0.3267196 0.6732804 -0.3267196), wk = 0.0019305 k( 308) = ( 0.3171102 0.6681839 -0.3171102), wk = 0.0019305 k( 309) = ( 0.3075008 0.6630874 -0.3075008), wk = 0.0019305 k( 310) = ( 0.2978914 0.6579909 -0.2978914), wk = 0.0019305 k( 311) = ( 0.2882820 0.6528944 -0.2882820), wk = 0.0019305 k( 312) = ( 0.2786726 0.6477980 -0.2786726), wk = 0.0019305 k( 313) = ( 0.2690632 0.6427015 -0.2690632), wk = 0.0019305 k( 314) = ( 0.2594538 0.6376050 -0.2594538), wk = 0.0019305 k( 315) = ( 0.2498444 0.6325085 -0.2498444), wk = 0.0019305 k( 316) = ( 0.2402350 0.6274120 -0.2402350), wk = 0.0019305 k( 317) = ( 0.2306256 0.6223155 -0.2306256), wk = 0.0019305 k( 318) = ( 0.2210162 0.6172191 -0.2210162), wk = 0.0019305 k( 319) = ( 0.2114068 0.6121226 -0.2114068), wk = 0.0019305 k( 320) = ( 0.2017974 0.6070261 -0.2017974), wk = 0.0019305 k( 321) = ( 0.1921880 0.6019296 -0.1921880), wk = 0.0019305 k( 322) = ( 0.1825786 0.5968332 -0.1825786), wk = 0.0019305 k( 323) = ( 0.1729692 0.5917367 -0.1729692), wk = 0.0019305 k( 324) = ( 0.1633598 0.5866402 -0.1633598), wk = 0.0019305 k( 325) = ( 0.1537504 0.5815437 -0.1537504), wk = 0.0019305 k( 326) = ( 0.1441410 0.5764472 -0.1441410), wk = 0.0019305 k( 327) = ( 0.1345316 0.5713507 -0.1345316), wk = 0.0019305 k( 328) = ( 0.1249222 0.5662543 -0.1249222), wk = 0.0019305 k( 329) = ( 0.1153128 0.5611578 -0.1153128), wk = 0.0019305 k( 330) = ( 0.1057034 0.5560613 -0.1057034), wk = 0.0019305 k( 331) = ( 0.0960940 0.5509648 -0.0960940), wk = 0.0019305 k( 332) = ( 0.0864846 0.5458683 -0.0864846), wk = 0.0019305 k( 333) = ( 0.0768752 0.5407718 -0.0768752), wk = 0.0019305 k( 334) = ( 0.0672658 0.5356754 -0.0672658), wk = 0.0019305 k( 335) = ( 0.0576564 0.5305789 -0.0576564), wk = 0.0019305 k( 336) = ( 0.0480470 0.5254824 -0.0480470), wk = 0.0019305 k( 337) = ( 0.0384376 0.5203859 -0.0384376), wk = 0.0019305 k( 338) = ( 0.0288282 0.5152894 -0.0288282), wk = 0.0019305 k( 339) = ( 0.0192188 0.5101930 -0.0192188), wk = 0.0019305 k( 340) = ( 0.0096094 0.5050965 -0.0096094), wk = 0.0019305 k( 341) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019305 k( 342) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019305 k( 343) = ( 0.0047170 0.4952830 0.0047170), wk = 0.0019305 k( 344) = ( 0.0094340 0.4905660 0.0094340), wk = 0.0019305 k( 345) = ( 0.0141509 0.4858491 0.0141509), wk = 0.0019305 k( 346) = ( 0.0188679 0.4811321 0.0188679), wk = 0.0019305 k( 347) = ( 0.0235849 0.4764151 0.0235849), wk = 0.0019305 k( 348) = ( 0.0283019 0.4716981 0.0283019), wk = 0.0019305 k( 349) = ( 0.0330189 0.4669811 0.0330189), wk = 0.0019305 k( 350) = ( 0.0377359 0.4622641 0.0377359), wk = 0.0019305 k( 351) = ( 0.0424528 0.4575472 0.0424528), wk = 0.0019305 k( 352) = ( 0.0471698 0.4528302 0.0471698), wk = 0.0019305 k( 353) = ( 0.0518868 0.4481132 0.0518868), wk = 0.0019305 k( 354) = ( 0.0566038 0.4433962 0.0566038), wk = 0.0019305 k( 355) = ( 0.0613208 0.4386793 0.0613208), wk = 0.0019305 k( 356) = ( 0.0660377 0.4339623 0.0660377), wk = 0.0019305 k( 357) = ( 0.0707547 0.4292453 0.0707547), wk = 0.0019305 k( 358) = ( 0.0754717 0.4245283 0.0754717), wk = 0.0019305 k( 359) = ( 0.0801887 0.4198113 0.0801887), wk = 0.0019305 k( 360) = ( 0.0849057 0.4150943 0.0849057), wk = 0.0019305 k( 361) = ( 0.0896226 0.4103774 0.0896226), wk = 0.0019305 k( 362) = ( 0.0943396 0.4056604 0.0943396), wk = 0.0019305 k( 363) = ( 0.0990566 0.4009434 0.0990566), wk = 0.0019305 k( 364) = ( 0.1037736 0.3962264 0.1037736), wk = 0.0019305 k( 365) = ( 0.1084906 0.3915094 0.1084906), wk = 0.0019305 k( 366) = ( 0.1132076 0.3867925 0.1132076), wk = 0.0019305 k( 367) = ( 0.1179245 0.3820755 0.1179245), wk = 0.0019305 k( 368) = ( 0.1226415 0.3773585 0.1226415), wk = 0.0019305 k( 369) = ( 0.1273585 0.3726415 0.1273585), wk = 0.0019305 k( 370) = ( 0.1320755 0.3679245 0.1320755), wk = 0.0019305 k( 371) = ( 0.1367925 0.3632075 0.1367925), wk = 0.0019305 k( 372) = ( 0.1415094 0.3584906 0.1415094), wk = 0.0019305 k( 373) = ( 0.1462264 0.3537736 0.1462264), wk = 0.0019305 k( 374) = ( 0.1509434 0.3490566 0.1509434), wk = 0.0019305 k( 375) = ( 0.1556604 0.3443396 0.1556604), wk = 0.0019305 k( 376) = ( 0.1603774 0.3396226 0.1603774), wk = 0.0019305 k( 377) = ( 0.1650943 0.3349057 0.1650943), wk = 0.0019305 k( 378) = ( 0.1698113 0.3301887 0.1698113), wk = 0.0019305 k( 379) = ( 0.1745283 0.3254717 0.1745283), wk = 0.0019305 k( 380) = ( 0.1792453 0.3207547 0.1792453), wk = 0.0019305 k( 381) = ( 0.1839623 0.3160377 0.1839623), wk = 0.0019305 k( 382) = ( 0.1886792 0.3113207 0.1886792), wk = 0.0019305 k( 383) = ( 0.1933962 0.3066038 0.1933962), wk = 0.0019305 k( 384) = ( 0.1981132 0.3018868 0.1981132), wk = 0.0019305 k( 385) = ( 0.2028302 0.2971698 0.2028302), wk = 0.0019305 k( 386) = ( 0.2075472 0.2924528 0.2075472), wk = 0.0019305 k( 387) = ( 0.2122642 0.2877359 0.2122641), wk = 0.0019305 k( 388) = ( 0.2169811 0.2830189 0.2169811), wk = 0.0019305 k( 389) = ( 0.2216981 0.2783019 0.2216981), wk = 0.0019305 k( 390) = ( 0.2264151 0.2735849 0.2264151), wk = 0.0019305 k( 391) = ( 0.2311321 0.2688679 0.2311321), wk = 0.0019305 k( 392) = ( 0.2358491 0.2641509 0.2358491), wk = 0.0019305 k( 393) = ( 0.2405660 0.2594340 0.2405660), wk = 0.0019305 k( 394) = ( 0.2452830 0.2547170 0.2452830), wk = 0.0019305 k( 395) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019305 k( 396) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019305 k( 397) = ( 0.2565789 0.2565789 0.2393832), wk = 0.0019305 k( 398) = ( 0.2631579 0.2631579 0.2287664), wk = 0.0019305 k( 399) = ( 0.2697368 0.2697368 0.2181495), wk = 0.0019305 k( 400) = ( 0.2763158 0.2763158 0.2075327), wk = 0.0019305 k( 401) = ( 0.2828947 0.2828947 0.1969159), wk = 0.0019305 k( 402) = ( 0.2894737 0.2894737 0.1862991), wk = 0.0019305 k( 403) = ( 0.2960526 0.2960526 0.1756822), wk = 0.0019305 k( 404) = ( 0.3026316 0.3026316 0.1650654), wk = 0.0019305 k( 405) = ( 0.3092105 0.3092105 0.1544486), wk = 0.0019305 k( 406) = ( 0.3157895 0.3157895 0.1438318), wk = 0.0019305 k( 407) = ( 0.3223684 0.3223684 0.1332149), wk = 0.0019305 k( 408) = ( 0.3289474 0.3289474 0.1225981), wk = 0.0019305 k( 409) = ( 0.3355263 0.3355263 0.1119813), wk = 0.0019305 k( 410) = ( 0.3421053 0.3421053 0.1013645), wk = 0.0019305 k( 411) = ( 0.3486842 0.3486842 0.0907477), wk = 0.0019305 k( 412) = ( 0.3552632 0.3552632 0.0801308), wk = 0.0019305 k( 413) = ( 0.3618421 0.3618421 0.0695140), wk = 0.0019305 k( 414) = ( 0.3684211 0.3684210 0.0588972), wk = 0.0019305 k( 415) = ( 0.3750000 0.3750000 0.0482804), wk = 0.0019305 k( 416) = ( 0.3815789 0.3815789 0.0376635), wk = 0.0019305 k( 417) = ( 0.3881579 0.3881579 0.0270467), wk = 0.0019305 k( 418) = ( 0.3947368 0.3947368 0.0164299), wk = 0.0019305 k( 419) = ( 0.4013158 0.4013158 0.0058131), wk = 0.0019305 k( 420) = ( 0.4078947 0.4078947 -0.0048038), wk = 0.0019305 k( 421) = ( 0.4144737 0.4144737 -0.0154206), wk = 0.0019305 k( 422) = ( 0.4210526 0.4210526 -0.0260374), wk = 0.0019305 k( 423) = ( 0.4276316 0.4276316 -0.0366542), wk = 0.0019305 k( 424) = ( 0.4342105 0.4342105 -0.0472710), wk = 0.0019305 k( 425) = ( 0.4407895 0.4407895 -0.0578879), wk = 0.0019305 k( 426) = ( 0.4473684 0.4473684 -0.0685047), wk = 0.0019305 k( 427) = ( 0.4539474 0.4539474 -0.0791215), wk = 0.0019305 k( 428) = ( 0.4605263 0.4605263 -0.0897383), wk = 0.0019305 k( 429) = ( 0.4671053 0.4671053 -0.1003552), wk = 0.0019305 k( 430) = ( 0.4736842 0.4736842 -0.1109720), wk = 0.0019305 k( 431) = ( 0.4802632 0.4802632 -0.1215888), wk = 0.0019305 k( 432) = ( 0.4868421 0.4868421 -0.1322056), wk = 0.0019305 k( 433) = ( 0.4934211 0.4934211 -0.1428225), wk = 0.0019305 k( 434) = ( 0.5000000 0.5000000 -0.1534393), wk = 0.0019305 k( 435) = ( 0.5000000 0.5000000 -0.1534393), wk = 0.0019305 k( 436) = ( 0.5000000 0.5000000 -0.1601039), wk = 0.0019305 k( 437) = ( 0.5000000 0.5000000 -0.1667685), wk = 0.0019305 k( 438) = ( 0.5000000 0.5000000 -0.1734332), wk = 0.0019305 k( 439) = ( 0.5000000 0.5000000 -0.1800978), wk = 0.0019305 k( 440) = ( 0.5000000 0.5000000 -0.1867624), wk = 0.0019305 k( 441) = ( 0.5000000 0.5000000 -0.1934271), wk = 0.0019305 k( 442) = ( 0.5000000 0.5000000 -0.2000917), wk = 0.0019305 k( 443) = ( 0.5000000 0.5000000 -0.2067563), wk = 0.0019305 k( 444) = ( 0.5000000 0.5000000 -0.2134209), wk = 0.0019305 k( 445) = ( 0.5000000 0.5000000 -0.2200856), wk = 0.0019305 k( 446) = ( 0.5000000 0.5000000 -0.2267502), wk = 0.0019305 k( 447) = ( 0.5000000 0.5000000 -0.2334148), wk = 0.0019305 k( 448) = ( 0.5000000 0.5000000 -0.2400795), wk = 0.0019305 k( 449) = ( 0.5000000 0.5000000 -0.2467441), wk = 0.0019305 k( 450) = ( 0.5000000 0.5000000 -0.2534087), wk = 0.0019305 k( 451) = ( 0.5000000 0.5000000 -0.2600733), wk = 0.0019305 k( 452) = ( 0.5000000 0.5000000 -0.2667380), wk = 0.0019305 k( 453) = ( 0.5000000 0.5000000 -0.2734026), wk = 0.0019305 k( 454) = ( 0.5000000 0.5000000 -0.2800672), wk = 0.0019305 k( 455) = ( 0.5000000 0.5000000 -0.2867319), wk = 0.0019305 k( 456) = ( 0.5000000 0.5000000 -0.2933965), wk = 0.0019305 k( 457) = ( 0.5000000 0.5000000 -0.3000611), wk = 0.0019305 k( 458) = ( 0.5000000 0.5000000 -0.3067258), wk = 0.0019305 k( 459) = ( 0.5000000 0.5000000 -0.3133904), wk = 0.0019305 k( 460) = ( 0.5000000 0.5000000 -0.3200550), wk = 0.0019305 k( 461) = ( 0.5000000 0.5000000 -0.3267196), wk = 0.0019305 k( 462) = ( 0.5000000 0.5000000 -0.3333843), wk = 0.0019305 k( 463) = ( 0.5000000 0.5000000 -0.3400489), wk = 0.0019305 k( 464) = ( 0.5000000 0.5000000 -0.3467135), wk = 0.0019305 k( 465) = ( 0.5000000 0.5000000 -0.3533782), wk = 0.0019305 k( 466) = ( 0.5000000 0.5000000 -0.3600428), wk = 0.0019305 k( 467) = ( 0.5000000 0.5000000 -0.3667074), wk = 0.0019305 k( 468) = ( 0.5000000 0.5000000 -0.3733720), wk = 0.0019305 k( 469) = ( 0.5000000 0.5000000 -0.3800367), wk = 0.0019305 k( 470) = ( 0.5000000 0.5000000 -0.3867013), wk = 0.0019305 k( 471) = ( 0.5000000 0.5000000 -0.3933659), wk = 0.0019305 k( 472) = ( 0.5000000 0.5000000 -0.4000306), wk = 0.0019305 k( 473) = ( 0.5000000 0.5000000 -0.4066952), wk = 0.0019305 k( 474) = ( 0.5000000 0.5000000 -0.4133598), wk = 0.0019305 k( 475) = ( 0.5000000 0.5000000 -0.4200244), wk = 0.0019305 k( 476) = ( 0.5000000 0.5000000 -0.4266891), wk = 0.0019305 k( 477) = ( 0.5000000 0.5000000 -0.4333537), wk = 0.0019305 k( 478) = ( 0.5000000 0.5000000 -0.4400183), wk = 0.0019305 k( 479) = ( 0.5000000 0.5000000 -0.4466830), wk = 0.0019305 k( 480) = ( 0.5000000 0.5000000 -0.4533476), wk = 0.0019305 k( 481) = ( 0.5000000 0.5000000 -0.4600122), wk = 0.0019305 k( 482) = ( 0.5000000 0.5000000 -0.4666768), wk = 0.0019305 k( 483) = ( 0.5000000 0.5000000 -0.4733415), wk = 0.0019305 k( 484) = ( 0.5000000 0.5000000 -0.4800061), wk = 0.0019305 k( 485) = ( 0.5000000 0.5000000 -0.4866707), wk = 0.0019305 k( 486) = ( 0.5000000 0.5000000 -0.4933354), wk = 0.0019305 k( 487) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0019305 k( 488) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019305 k( 489) = ( 0.0083333 0.0083333 0.4916667), wk = 0.0019305 k( 490) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0019305 k( 491) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0019305 k( 492) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0019305 k( 493) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0019305 k( 494) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0019305 k( 495) = ( 0.0583333 0.0583333 0.4416667), wk = 0.0019305 k( 496) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0019305 k( 497) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0019305 k( 498) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0019305 k( 499) = ( 0.0916667 0.0916667 0.4083333), wk = 0.0019305 k( 500) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0019305 k( 501) = ( 0.1083333 0.1083333 0.3916667), wk = 0.0019305 k( 502) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0019305 k( 503) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0019305 k( 504) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0019305 k( 505) = ( 0.1416667 0.1416667 0.3583333), wk = 0.0019305 k( 506) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0019305 k( 507) = ( 0.1583333 0.1583333 0.3416667), wk = 0.0019305 k( 508) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0019305 k( 509) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0019305 k( 510) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0019305 k( 511) = ( 0.1916667 0.1916667 0.3083333), wk = 0.0019305 k( 512) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0019305 k( 513) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0019305 k( 514) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0019305 k( 515) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0019305 k( 516) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0019305 k( 517) = ( 0.2416667 0.2416667 0.2583333), wk = 0.0019305 k( 518) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019305 Dense grid: 34629 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 9893 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 76, 32) NL pseudopotentials 0.03 Mb ( 38, 48) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 964) G-vector shells 0.00 Mb ( 465) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 76, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.05 Mb ( 48, 2, 32) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./PdO.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.3 secs Computing kpt #: 10 total cpu time spent up to now is 4.4 secs Computing kpt #: 11 total cpu time spent up to now is 4.5 secs Computing kpt #: 12 total cpu time spent up to now is 4.6 secs Computing kpt #: 13 total cpu time spent up to now is 4.7 secs Computing kpt #: 14 total cpu time spent up to now is 4.8 secs Computing kpt #: 15 total cpu time spent up to now is 4.9 secs Computing kpt #: 16 total cpu time spent up to now is 5.0 secs Computing kpt #: 17 total cpu time spent up to now is 5.1 secs Computing kpt #: 18 total cpu time spent up to now is 5.2 secs Computing kpt #: 19 total cpu time spent up to now is 5.3 secs Computing kpt #: 20 total cpu time spent up to now is 5.4 secs Computing kpt #: 21 total cpu time spent up to now is 5.5 secs Computing kpt #: 22 total cpu time spent up to now is 5.6 secs Computing kpt #: 23 total cpu time spent up to now is 5.7 secs Computing kpt #: 24 total cpu time spent up to now is 5.8 secs Computing kpt #: 25 total cpu time spent up to now is 5.8 secs Computing kpt #: 26 total cpu time spent up to now is 5.9 secs Computing kpt #: 27 total cpu time spent up to now is 6.0 secs Computing kpt #: 28 total cpu time spent up to now is 6.1 secs Computing kpt #: 29 total cpu time spent up to now is 6.2 secs Computing kpt #: 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Computing kpt #: 62 total cpu time spent up to now is 10.1 secs Computing kpt #: 63 total cpu time spent up to now is 10.2 secs Computing kpt #: 64 total cpu time spent up to now is 10.4 secs Computing kpt #: 65 total cpu time spent up to now is 10.6 secs Computing kpt #: 66 total cpu time spent up to now is 10.7 secs Computing kpt #: 67 total cpu time spent up to now is 10.8 secs Computing kpt #: 68 total cpu time spent up to now is 10.9 secs Computing kpt #: 69 total cpu time spent up to now is 11.1 secs Computing kpt #: 70 total cpu time spent up to now is 11.3 secs Computing kpt #: 71 total cpu time spent up to now is 11.4 secs Computing kpt #: 72 total cpu time spent up to now is 11.5 secs Computing kpt #: 73 total cpu time spent up to now is 11.7 secs Computing kpt #: 74 total cpu time spent up to now is 11.8 secs Computing kpt #: 75 total cpu time spent up to now is 11.9 secs Computing kpt #: 76 total cpu time spent up to now is 12.1 secs Computing kpt #: 77 total cpu time spent up to now is 12.2 secs Computing kpt #: 78 total cpu time spent up to now is 12.3 secs Computing kpt #: 79 total cpu time spent up to now is 12.4 secs Computing kpt #: 80 total cpu time spent up to now is 12.5 secs Computing kpt #: 81 total cpu time spent up to now is 12.6 secs Computing kpt #: 82 total cpu time spent up to now is 12.8 secs Computing kpt #: 83 total cpu time spent up to now is 12.8 secs Computing kpt #: 84 total cpu time spent up to now is 12.9 secs Computing kpt #: 85 total cpu time spent up to now is 13.0 secs Computing kpt #: 86 total cpu time spent up to now is 13.1 secs Computing kpt #: 87 total cpu time spent up to now is 13.2 secs Computing kpt #: 88 total cpu time spent up to now is 13.3 secs Computing kpt #: 89 total cpu time spent up to now is 13.4 secs Computing kpt #: 90 total cpu time spent up to now is 13.5 secs Computing kpt #: 91 total cpu time spent up to now is 13.6 secs Computing kpt #: 92 total cpu time spent up to now is 13.7 secs Computing kpt #: 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Computing kpt #: 124 total cpu time spent up to now is 16.6 secs Computing kpt #: 125 total cpu time spent up to now is 16.6 secs Computing kpt #: 126 total cpu time spent up to now is 16.7 secs Computing kpt #: 127 total cpu time spent up to now is 16.8 secs Computing kpt #: 128 total cpu time spent up to now is 16.9 secs Computing kpt #: 129 total cpu time spent up to now is 17.0 secs Computing kpt #: 130 total cpu time spent up to now is 17.1 secs Computing kpt #: 131 total cpu time spent up to now is 17.2 secs Computing kpt #: 132 total cpu time spent up to now is 17.3 secs Computing kpt #: 133 total cpu time spent up to now is 17.4 secs Computing kpt #: 134 total cpu time spent up to now is 17.5 secs Computing kpt #: 135 total cpu time spent up to now is 17.6 secs Computing kpt #: 136 total cpu time spent up to now is 17.7 secs Computing kpt #: 137 total cpu time spent up to now is 17.7 secs Computing kpt #: 138 total cpu time spent up to now is 17.8 secs Computing kpt #: 139 total cpu time spent up to now is 17.9 secs Computing kpt #: 140 total cpu time spent up to now is 18.0 secs Computing kpt #: 141 total cpu time spent up to now is 18.1 secs Computing kpt #: 142 total cpu time spent up to now is 18.2 secs Computing kpt #: 143 total cpu time spent up to now is 18.3 secs Computing kpt #: 144 total cpu time spent up to now is 18.4 secs Computing kpt #: 145 total cpu time spent up to now is 18.5 secs Computing kpt #: 146 total cpu time spent up to now is 18.5 secs Computing kpt #: 147 total cpu time spent up to now is 18.6 secs Computing kpt #: 148 total cpu time spent up to now is 18.7 secs Computing kpt #: 149 total cpu time spent up to now is 18.8 secs Computing kpt #: 150 total cpu time spent up to now is 18.9 secs Computing kpt #: 151 total cpu time spent up to now is 19.0 secs Computing kpt #: 152 total cpu time spent up to now is 19.1 secs Computing kpt #: 153 total cpu time spent up to now is 19.1 secs Computing kpt #: 154 total cpu time spent up 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Computing kpt #: 170 total cpu time spent up to now is 20.7 secs Computing kpt #: 171 total cpu time spent up to now is 20.7 secs Computing kpt #: 172 total cpu time spent up to now is 20.8 secs Computing kpt #: 173 total cpu time spent up to now is 20.9 secs Computing kpt #: 174 total cpu time spent up to now is 21.0 secs Computing kpt #: 175 total cpu time spent up to now is 21.1 secs Computing kpt #: 176 total cpu time spent up to now is 21.2 secs Computing kpt #: 177 total cpu time spent up to now is 21.3 secs Computing kpt #: 178 total cpu time spent up to now is 21.4 secs Computing kpt #: 179 total cpu time spent up to now is 21.4 secs Computing kpt #: 180 total cpu time spent up to now is 21.5 secs Computing kpt #: 181 total cpu time spent up to now is 21.6 secs Computing kpt #: 182 total cpu time spent up to now is 21.7 secs Computing kpt #: 183 total cpu time spent up to now is 21.8 secs Computing kpt #: 184 total cpu time spent up to now is 21.9 secs Computing kpt #: 185 total cpu time spent up to now is 22.0 secs Computing kpt #: 186 total cpu time spent up to now is 22.2 secs Computing kpt #: 187 total cpu time spent up to now is 22.3 secs Computing kpt #: 188 total cpu time spent up to now is 22.5 secs Computing kpt #: 189 total cpu time spent up to now is 22.6 secs Computing kpt #: 190 total cpu time spent up to now is 22.7 secs Computing kpt #: 191 total cpu time spent up to now is 22.9 secs Computing kpt #: 192 total cpu time spent up to now is 23.0 secs Computing kpt #: 193 total cpu time spent up to now is 23.1 secs Computing kpt #: 194 total cpu time spent up to now is 23.3 secs Computing kpt #: 195 total cpu time spent up to now is 23.4 secs Computing kpt #: 196 total cpu time spent up to now is 23.5 secs Computing kpt #: 197 total cpu time spent up to now is 23.6 secs Computing kpt #: 198 total cpu time spent up to now is 23.7 secs Computing kpt #: 199 total cpu time spent up to now is 23.8 secs Computing kpt #: 200 total cpu time spent up 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Computing kpt #: 216 total cpu time spent up to now is 25.8 secs Computing kpt #: 217 total cpu time spent up to now is 25.9 secs Computing kpt #: 218 total cpu time spent up to now is 26.1 secs Computing kpt #: 219 total cpu time spent up to now is 26.2 secs Computing kpt #: 220 total cpu time spent up to now is 26.3 secs Computing kpt #: 221 total cpu time spent up to now is 26.4 secs Computing kpt #: 222 total cpu time spent up to now is 26.5 secs Computing kpt #: 223 total cpu time spent up to now is 26.6 secs Computing kpt #: 224 total cpu time spent up to now is 26.7 secs Computing kpt #: 225 total cpu time spent up to now is 26.8 secs Computing kpt #: 226 total cpu time spent up to now is 27.0 secs Computing kpt #: 227 total cpu time spent up to now is 27.1 secs Computing kpt #: 228 total cpu time spent up to now is 27.2 secs Computing kpt #: 229 total cpu time spent up to now is 27.3 secs Computing kpt #: 230 total cpu time spent up to now is 27.4 secs Computing kpt #: 231 total cpu time spent up to now is 27.5 secs Computing kpt #: 232 total cpu time spent up to now is 27.6 secs Computing kpt #: 233 total cpu time spent up to now is 27.7 secs Computing kpt #: 234 total cpu time spent up to now is 27.9 secs Computing kpt #: 235 total cpu time spent up to now is 28.0 secs Computing kpt #: 236 total cpu time spent up to now is 28.1 secs Computing kpt #: 237 total cpu time spent up to now is 28.2 secs Computing kpt #: 238 total cpu time spent up to now is 28.3 secs Computing kpt #: 239 total cpu time spent up to now is 28.4 secs Computing kpt #: 240 total cpu time spent up to now is 28.5 secs Computing kpt #: 241 total cpu time spent up to now is 28.6 secs Computing kpt #: 242 total cpu time spent up to now is 28.7 secs Computing kpt #: 243 total cpu time spent up to now is 28.8 secs Computing kpt #: 244 total cpu time spent up to now is 29.0 secs Computing kpt #: 245 total cpu time spent up to now is 29.1 secs Computing kpt #: 246 total cpu time spent up to now is 29.2 secs Computing kpt #: 247 total cpu time spent up to now is 29.3 secs Computing kpt #: 248 total cpu time spent up to now is 29.4 secs Computing kpt #: 249 total cpu time spent up to now is 29.5 secs Computing kpt #: 250 total cpu time spent up to now is 29.6 secs Computing kpt #: 251 total cpu time spent up to now is 29.8 secs Computing kpt #: 252 total cpu time spent up to now is 29.9 secs Computing kpt #: 253 total cpu time spent up to now is 30.0 secs Computing kpt #: 254 total cpu time spent up to now is 30.1 secs Computing kpt #: 255 total cpu time spent up to now is 30.2 secs Computing kpt #: 256 total cpu time spent up to now is 30.3 secs Computing kpt #: 257 total cpu time spent up to now is 30.5 secs Computing kpt #: 258 total cpu time spent up to now is 30.6 secs Computing kpt #: 259 total cpu time spent up to now is 30.7 secs Computing kpt #: 260 total cpu time spent up to now is 30.8 secs Computing kpt #: 261 total cpu time spent up to now is 31.0 secs Computing kpt #: 262 total cpu time spent up to now is 31.1 secs Computing kpt #: 263 total cpu time spent up to now is 31.2 secs Computing kpt #: 264 total cpu time spent up to now is 31.3 secs Computing kpt #: 265 total cpu time spent up to now is 31.4 secs Computing kpt #: 266 total cpu time spent up to now is 31.5 secs Computing kpt #: 267 total cpu time spent up to now is 31.6 secs Computing kpt #: 268 total cpu time spent up to now is 31.7 secs Computing kpt #: 269 total cpu time spent up to now is 31.8 secs Computing kpt #: 270 total cpu time spent up to now is 32.0 secs Computing kpt #: 271 total cpu time spent up to now is 32.1 secs Computing kpt #: 272 total cpu time spent up to now is 32.2 secs Computing kpt #: 273 total cpu time spent up to now is 32.4 secs Computing kpt #: 274 total cpu time spent up to now is 32.5 secs Computing kpt #: 275 total cpu time spent up to now is 32.6 secs Computing kpt #: 276 total cpu time spent up to now is 32.7 secs Computing kpt #: 277 total cpu time spent up to now is 32.8 secs Computing kpt #: 278 total cpu time spent up to now is 32.9 secs Computing kpt #: 279 total cpu time spent up to now is 33.0 secs Computing kpt #: 280 total cpu time spent up to now is 33.1 secs Computing kpt #: 281 total cpu time spent up to now is 33.2 secs Computing kpt #: 282 total cpu time spent up to now is 33.3 secs Computing kpt #: 283 total cpu time spent up to now is 33.4 secs Computing kpt #: 284 total cpu time spent up to now is 33.5 secs Computing kpt #: 285 total cpu time spent up to now is 33.6 secs Computing kpt #: 286 total cpu time spent up to now is 33.7 secs Computing kpt #: 287 total cpu time spent up to now is 33.8 secs Computing kpt #: 288 total cpu time spent up to now is 33.9 secs Computing kpt #: 289 total cpu time spent up to now is 34.0 secs Computing kpt #: 290 total cpu time spent up to now is 34.1 secs Computing kpt #: 291 total cpu time spent up to now is 34.2 secs Computing kpt #: 292 total cpu time spent up to now is 34.3 secs Computing kpt #: 293 total cpu time spent up to now is 34.4 secs Computing kpt #: 294 total cpu time spent up to now is 34.5 secs Computing kpt #: 295 total cpu time spent up to now is 34.6 secs Computing kpt #: 296 total cpu time spent up to now is 34.7 secs Computing kpt #: 297 total cpu time spent up to now is 34.8 secs Computing kpt #: 298 total cpu time spent up to now is 34.9 secs Computing kpt #: 299 total cpu time spent up to now is 34.9 secs Computing kpt #: 300 total cpu time spent up to now is 35.0 secs Computing kpt #: 301 total cpu time spent up to now is 35.1 secs Computing kpt #: 302 total cpu time spent up to now is 35.2 secs Computing kpt #: 303 total cpu time spent up to now is 35.3 secs Computing kpt #: 304 total cpu time spent up to now is 35.4 secs Computing kpt #: 305 total cpu time spent up to now is 35.5 secs Computing kpt #: 306 total cpu time spent up to now is 35.6 secs Computing kpt #: 307 total cpu time spent up to now is 35.7 secs Computing kpt #: 308 total cpu time spent up to now is 35.8 secs Computing kpt #: 309 total cpu time spent up to now is 35.9 secs Computing kpt #: 310 total cpu time spent up to now is 36.0 secs Computing kpt #: 311 total cpu time spent up to now is 36.0 secs Computing kpt #: 312 total cpu time spent up to now is 36.1 secs Computing kpt #: 313 total cpu time spent up to now is 36.2 secs Computing kpt #: 314 total cpu time spent up to now is 36.3 secs Computing kpt #: 315 total cpu time spent up to now is 36.4 secs Computing kpt #: 316 total cpu time spent up to now is 36.5 secs Computing kpt #: 317 total cpu time spent up to now is 36.6 secs Computing kpt #: 318 total cpu time spent up to now is 36.7 secs Computing kpt #: 319 total cpu time spent up to now is 36.7 secs Computing kpt #: 320 total cpu time spent up to now is 36.8 secs Computing kpt #: 321 total cpu time spent up to now is 36.9 secs Computing kpt #: 322 total cpu time spent up to now is 37.0 secs Computing kpt #: 323 total cpu time spent up to now is 37.1 secs Computing kpt #: 324 total cpu time spent up to now is 37.2 secs Computing kpt #: 325 total cpu time spent up to now is 37.3 secs Computing kpt #: 326 total cpu time spent up to now is 37.3 secs Computing kpt #: 327 total cpu time spent up to now is 37.4 secs Computing kpt #: 328 total cpu time spent up to now is 37.5 secs Computing kpt #: 329 total cpu time spent up to now is 37.6 secs Computing kpt #: 330 total cpu time spent up to now is 37.7 secs Computing kpt #: 331 total cpu time spent up to now is 37.8 secs Computing kpt #: 332 total cpu time spent up to now is 37.9 secs Computing kpt #: 333 total cpu time spent up to now is 38.0 secs Computing kpt #: 334 total cpu time spent up to now is 38.1 secs Computing kpt #: 335 total cpu time spent up to now is 38.2 secs Computing kpt #: 336 total cpu time spent up to now is 38.3 secs Computing kpt #: 337 total cpu time spent up to now is 38.4 secs Computing kpt #: 338 total cpu time spent up to now is 38.5 secs Computing kpt #: 339 total cpu time spent up to now is 38.6 secs Computing kpt #: 340 total cpu time spent up to now is 38.7 secs Computing kpt #: 341 total cpu time spent up to now is 38.8 secs Computing kpt #: 342 total cpu time spent up to now is 38.9 secs Computing kpt #: 343 total cpu time spent up to now is 39.0 secs Computing kpt #: 344 total cpu time spent up to now is 39.1 secs Computing kpt #: 345 total cpu time spent up to now is 39.2 secs Computing kpt #: 346 total cpu time spent up to now is 39.3 secs Computing kpt #: 347 total cpu time spent up to now is 39.4 secs Computing kpt #: 348 total cpu time spent up to now is 39.5 secs Computing kpt #: 349 total cpu time spent up to now is 39.5 secs Computing kpt #: 350 total cpu time spent up to now is 39.6 secs Computing kpt #: 351 total cpu time spent up to now is 39.7 secs Computing kpt #: 352 total cpu time spent up to now is 39.8 secs Computing kpt #: 353 total cpu time spent up to now is 39.9 secs Computing kpt #: 354 total cpu time spent up to now is 40.0 secs Computing kpt #: 355 total cpu time spent up to now is 40.2 secs Computing kpt #: 356 total cpu time spent up to now is 40.3 secs Computing kpt #: 357 total cpu time spent up to now is 40.4 secs Computing kpt #: 358 total cpu time spent up to now is 40.5 secs Computing kpt #: 359 total cpu time spent up to now is 40.6 secs Computing kpt #: 360 total cpu time spent up to now is 40.7 secs Computing kpt #: 361 total cpu time spent up to now is 40.8 secs Computing kpt #: 362 total cpu time spent up to now is 40.9 secs Computing kpt #: 363 total cpu time spent up to now is 41.0 secs Computing kpt #: 364 total cpu time spent up to now is 41.1 secs Computing kpt #: 365 total cpu time spent up to now is 41.3 secs Computing kpt #: 366 total cpu time spent up to now is 41.4 secs Computing kpt #: 367 total cpu time spent up to now is 41.5 secs Computing kpt #: 368 total cpu time spent up to now is 41.6 secs Computing kpt #: 369 total cpu time spent up to now is 41.7 secs Computing kpt #: 370 total cpu time spent up to now is 41.8 secs Computing kpt #: 371 total cpu time spent up to now is 41.9 secs Computing kpt #: 372 total cpu time spent up to now is 42.0 secs Computing kpt #: 373 total cpu time spent up to now is 42.1 secs Computing kpt #: 374 total cpu time spent up to now is 42.2 secs Computing kpt #: 375 total cpu time spent up to now is 42.3 secs Computing kpt #: 376 total cpu time spent up to now is 42.4 secs Computing kpt #: 377 total cpu time spent up to now is 42.5 secs Computing kpt #: 378 total cpu time spent up to now is 42.6 secs Computing kpt #: 379 total cpu time spent up to now is 42.7 secs Computing kpt #: 380 total cpu time spent up to now is 42.8 secs Computing kpt #: 381 total cpu time spent up to now is 42.9 secs Computing kpt #: 382 total cpu time spent up to now is 43.0 secs Computing kpt #: 383 total cpu time spent up to now is 43.1 secs Computing kpt #: 384 total cpu time spent up to now is 43.2 secs Computing kpt #: 385 total cpu time spent up to now is 43.3 secs Computing kpt #: 386 total cpu time spent up to now is 43.4 secs Computing kpt #: 387 total cpu time spent up to now is 43.5 secs Computing kpt #: 388 total cpu time spent up to now is 43.6 secs Computing kpt #: 389 total cpu time spent up to now is 43.8 secs Computing kpt #: 390 total cpu time spent up to now is 43.9 secs Computing kpt #: 391 total cpu time spent up to now is 44.0 secs Computing kpt #: 392 total cpu time spent up to now is 44.1 secs Computing kpt #: 393 total cpu time spent up to now is 44.2 secs Computing kpt #: 394 total cpu time spent up to now is 44.3 secs Computing kpt #: 395 total cpu time spent up to now is 44.4 secs Computing kpt #: 396 total cpu time spent up to now is 44.5 secs Computing kpt #: 397 total cpu time spent up to now is 44.6 secs Computing kpt #: 398 total cpu time spent up to now is 44.7 secs Computing kpt #: 399 total cpu time spent up to now is 44.9 secs Computing kpt #: 400 total cpu time spent up to now is 45.0 secs Computing kpt #: 401 total cpu time spent up to now is 45.1 secs Computing kpt #: 402 total cpu time spent up to now is 45.2 secs Computing kpt #: 403 total cpu time spent up to now is 45.3 secs Computing kpt #: 404 total cpu time spent up to now is 45.4 secs Computing kpt #: 405 total cpu time spent up to now is 45.5 secs Computing kpt #: 406 total cpu time spent up to now is 45.6 secs Computing kpt #: 407 total cpu time spent up to now is 45.7 secs Computing kpt #: 408 total cpu time spent up to now is 45.8 secs Computing kpt #: 409 total cpu time spent up to now is 45.9 secs Computing kpt #: 410 total cpu time spent up to now is 46.0 secs Computing kpt #: 411 total cpu time spent up to now is 46.1 secs Computing kpt #: 412 total cpu time spent up to now is 46.2 secs Computing kpt #: 413 total cpu time spent up to now is 46.3 secs Computing kpt #: 414 total cpu time spent up to now is 46.4 secs Computing kpt #: 415 total cpu time spent up to now is 46.5 secs Computing kpt #: 416 total cpu time spent up to now is 46.6 secs Computing kpt #: 417 total cpu time spent up to now is 46.7 secs Computing kpt #: 418 total cpu time spent up to now is 46.8 secs Computing kpt #: 419 total cpu time spent up to now is 46.9 secs Computing kpt #: 420 total cpu time spent up to now is 47.0 secs Computing kpt #: 421 total cpu time spent up to now is 47.1 secs Computing kpt #: 422 total cpu time spent up to now is 47.2 secs Computing kpt #: 423 total cpu time spent up to now is 47.3 secs Computing kpt #: 424 total cpu time spent up to now is 47.3 secs Computing kpt #: 425 total cpu time spent up to now is 47.4 secs Computing kpt #: 426 total cpu time spent up to now is 47.5 secs Computing kpt #: 427 total cpu time spent up to now is 47.6 secs Computing kpt #: 428 total cpu time spent up to now is 47.7 secs Computing kpt #: 429 total cpu time spent up to now is 47.8 secs Computing kpt #: 430 total cpu time spent up to now is 47.9 secs Computing kpt #: 431 total cpu time spent up to now is 48.0 secs Computing kpt #: 432 total cpu time spent up to now is 48.1 secs Computing kpt #: 433 total cpu time spent up to now is 48.2 secs Computing kpt #: 434 total cpu time spent up to now is 48.3 secs Computing kpt #: 435 total cpu time spent up to now is 48.3 secs Computing kpt #: 436 total cpu time spent up to now is 48.4 secs Computing kpt #: 437 total cpu time spent up to now is 48.5 secs Computing kpt #: 438 total cpu time spent up to now is 48.6 secs Computing kpt #: 439 total cpu time spent up to now is 48.7 secs Computing kpt #: 440 total cpu time spent up to now is 48.8 secs Computing kpt #: 441 total cpu time spent up to now is 48.9 secs Computing kpt #: 442 total cpu time spent up to now is 49.0 secs Computing kpt #: 443 total cpu time spent up to now is 49.1 secs Computing kpt #: 444 total cpu time spent up to now is 49.2 secs Computing kpt #: 445 total cpu time spent up to now is 49.2 secs Computing kpt #: 446 total cpu time spent up to now is 49.3 secs Computing kpt #: 447 total cpu time spent up to now is 49.4 secs Computing kpt #: 448 total cpu time spent up to now is 49.5 secs Computing kpt #: 449 total cpu time spent up to now is 49.6 secs Computing kpt #: 450 total cpu time spent up to now is 49.7 secs Computing kpt #: 451 total cpu time spent up to now is 49.8 secs Computing kpt #: 452 total cpu time spent up to now is 49.9 secs Computing kpt #: 453 total cpu time spent up to now is 50.0 secs Computing kpt #: 454 total cpu time spent up to now is 50.1 secs Computing kpt #: 455 total cpu time spent up to now is 50.2 secs Computing kpt #: 456 total cpu time spent up to now is 50.3 secs Computing kpt #: 457 total cpu time spent up to now is 50.4 secs Computing kpt #: 458 total cpu time spent up to now is 50.5 secs Computing kpt #: 459 total cpu time spent up to now is 50.6 secs Computing kpt #: 460 total cpu time spent up to now is 50.7 secs Computing kpt #: 461 total cpu time spent up to now is 50.8 secs Computing kpt #: 462 total cpu time spent up to now is 50.9 secs Computing kpt #: 463 total cpu time spent up to now is 51.0 secs Computing kpt #: 464 total cpu time spent up to now is 51.1 secs Computing kpt #: 465 total cpu time spent up to now is 51.2 secs Computing kpt #: 466 total cpu time spent up to now is 51.3 secs Computing kpt #: 467 total cpu time spent up to now is 51.4 secs Computing kpt #: 468 total cpu time spent up to now is 51.5 secs Computing kpt #: 469 total cpu time spent up to now is 51.6 secs Computing kpt #: 470 total cpu time spent up to now is 51.7 secs Computing kpt #: 471 total cpu time spent up to now is 51.8 secs Computing kpt #: 472 total cpu time spent up to now is 51.9 secs Computing kpt #: 473 total cpu time spent up to now is 52.0 secs Computing kpt #: 474 total cpu time spent up to now is 52.1 secs Computing kpt #: 475 total cpu time spent up to now is 52.2 secs Computing kpt #: 476 total cpu time spent up to now is 52.3 secs Computing kpt #: 477 total cpu time spent up to now is 52.4 secs Computing kpt #: 478 total cpu time spent up to now is 52.5 secs Computing kpt #: 479 total cpu time spent up to now is 52.7 secs Computing kpt #: 480 total cpu time spent up to now is 52.8 secs Computing kpt #: 481 total cpu time spent up to now is 52.9 secs Computing kpt #: 482 total cpu time spent up to now is 53.0 secs Computing kpt #: 483 total cpu time spent up to now is 53.1 secs Computing kpt #: 484 total cpu time spent up to now is 53.3 secs Computing kpt #: 485 total cpu time spent up to now is 53.4 secs Computing kpt #: 486 total cpu time spent up to now is 53.5 secs Computing kpt #: 487 total cpu time spent up to now is 53.6 secs Computing kpt #: 488 total cpu time spent up to now is 53.8 secs Computing kpt #: 489 total cpu time spent up to now is 53.9 secs Computing kpt #: 490 total cpu time spent up to now is 54.0 secs Computing kpt #: 491 total cpu time spent up to now is 54.2 secs Computing kpt #: 492 total cpu time spent up to now is 54.3 secs Computing kpt #: 493 total cpu time spent up to now is 54.5 secs Computing kpt #: 494 total cpu time spent up to now is 54.6 secs Computing kpt #: 495 total cpu time spent up to now is 54.7 secs Computing kpt #: 496 total cpu time spent up to now is 54.8 secs Computing kpt #: 497 total cpu time spent up to now is 55.0 secs Computing kpt #: 498 total cpu time spent up to now is 55.1 secs Computing kpt #: 499 total cpu time spent up to now is 55.2 secs Computing kpt #: 500 total cpu time spent up to now is 55.3 secs Computing kpt #: 501 total cpu time spent up to now is 55.5 secs Computing kpt #: 502 total cpu time spent up to now is 55.6 secs Computing kpt #: 503 total cpu time spent up to now is 55.7 secs Computing kpt #: 504 total cpu time spent up to now is 55.8 secs Computing kpt #: 505 total cpu time spent up to now is 56.0 secs Computing kpt #: 506 total cpu time spent up to now is 56.1 secs Computing kpt #: 507 total cpu time spent up to now is 56.2 secs Computing kpt #: 508 total cpu time spent up to now is 56.3 secs Computing kpt #: 509 total cpu time spent up to now is 56.4 secs Computing kpt #: 510 total cpu time spent up to now is 56.6 secs Computing kpt #: 511 total cpu time spent up to now is 56.7 secs Computing kpt #: 512 total cpu time spent up to now is 56.8 secs Computing kpt #: 513 total cpu time spent up to now is 56.9 secs Computing kpt #: 514 total cpu time spent up to now is 57.0 secs Computing kpt #: 515 total cpu time spent up to now is 57.1 secs Computing kpt #: 516 total cpu time spent up to now is 57.2 secs Computing kpt #: 517 total cpu time spent up to now is 57.4 secs Computing kpt #: 518 total cpu time spent up to now is 57.5 secs ethr = 4.17E-08, avg # of iterations = 14.2 total cpu time spent up to now is 57.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1225 PWs) bands (ev): -69.8601 -69.8601 -38.6729 -38.6729 -34.3751 -34.3751 -33.9758 -33.9758 -5.0165 -5.0165 10.5774 10.5774 11.0388 11.0388 11.1123 11.1123 11.5941 11.5941 11.6023 11.6023 12.2030 12.2030 12.2922 12.2922 12.4971 12.4971 15.9696 15.9696 29.7796 29.7796 32.0562 32.0562 k = 0.0000 0.0000 0.0108 ( 1225 PWs) bands (ev): -69.8601 -69.8601 -38.6729 -38.6729 -34.3751 -34.3751 -33.9759 -33.9759 -5.0158 -5.0158 10.5703 10.5703 11.0301 11.0301 11.1115 11.1115 11.5823 11.5823 11.6103 11.6103 12.2148 12.2148 12.2950 12.2950 12.5018 12.5018 15.9745 15.9745 29.7765 29.7765 32.0388 32.0388 k = 0.0000 0.0000 0.0216 ( 1225 PWs) bands (ev): -69.8601 -69.8601 -38.6730 -38.6730 -34.3753 -34.3753 -33.9759 -33.9759 -5.0138 -5.0138 10.5500 10.5500 10.9916 10.9916 11.1230 11.1230 11.5620 11.5620 11.6195 11.6195 12.2471 12.2471 12.3030 12.3030 12.5165 12.5165 15.9894 15.9894 29.7676 29.7676 31.9881 31.9881 k = 0.0000 0.0000 0.0324 ( 1229 PWs) bands (ev): -69.8601 -69.8601 -38.6731 -38.6731 -34.3755 -34.3755 -33.9760 -33.9760 -5.0104 -5.0104 10.5194 10.5194 10.9211 10.9211 11.1527 11.1527 11.5353 11.5353 11.6278 11.6278 12.2859 12.2859 12.3214 12.3214 12.5429 12.5429 16.0142 16.0142 29.7528 29.7528 31.9087 31.9087 k = 0.0000 0.0000 0.0432 ( 1229 PWs) bands (ev): -69.8600 -69.8600 -38.6733 -38.6733 -34.3758 -34.3758 -33.9761 -33.9761 -5.0058 -5.0058 10.4817 10.4817 10.8292 10.8292 11.1941 11.1941 11.5028 11.5028 11.6355 11.6355 12.3043 12.3043 12.3684 12.3684 12.5826 12.5826 16.0489 16.0489 29.7325 29.7325 31.8064 31.8064 k = 0.0000 0.0000 0.0541 ( 1229 PWs) bands (ev): -69.8600 -69.8600 -38.6735 -38.6735 -34.3763 -34.3763 -33.9762 -33.9762 -4.9998 -4.9998 10.4389 10.4389 10.7236 10.7236 11.2428 11.2428 11.4657 11.4657 11.6431 11.6431 12.3102 12.3102 12.4283 12.4283 12.6358 12.6358 16.0933 16.0933 29.7070 29.7070 31.6867 31.6867 k = 0.0000 0.0000 0.0649 ( 1225 PWs) bands (ev): -69.8599 -69.8599 -38.6738 -38.6738 -34.3768 -34.3768 -33.9764 -33.9764 -4.9925 -4.9925 10.3924 10.3924 10.6098 10.6098 11.2961 11.2961 11.4252 11.4252 11.6509 11.6509 12.3116 12.3116 12.4899 12.4899 12.7004 12.7004 16.1474 16.1474 29.6769 29.6769 31.5543 31.5543 k = 0.0000 0.0000 0.0757 ( 1225 PWs) bands (ev): -69.8598 -69.8598 -38.6741 -38.6741 -34.3774 -34.3774 -33.9766 -33.9766 -4.9840 -4.9840 10.3408 10.3408 10.4929 10.4929 11.3508 11.3508 11.3842 11.3842 11.6591 11.6591 12.3096 12.3096 12.5512 12.5512 12.7730 12.7730 16.2110 16.2110 29.6424 29.6424 31.4128 31.4128 k = 0.0000 0.0000 0.0865 ( 1229 PWs) bands (ev): -69.8597 -69.8597 -38.6744 -38.6744 -34.3781 -34.3781 -33.9768 -33.9768 -4.9743 -4.9743 10.2778 10.2778 10.3826 10.3826 11.3350 11.3350 11.4143 11.4143 11.6679 11.6679 12.3050 12.3050 12.6120 12.6120 12.8499 12.8499 16.2839 16.2839 29.6040 29.6040 31.2652 31.2652 k = 0.0000 0.0000 0.0973 ( 1229 PWs) bands (ev): -69.8596 -69.8596 -38.6749 -38.6749 -34.3789 -34.3789 -33.9770 -33.9770 -4.9634 -4.9634 10.1864 10.1864 10.2983 10.2983 11.2896 11.2896 11.4743 11.4743 11.6777 11.6777 12.2984 12.2984 12.6728 12.6728 12.9284 12.9284 16.3657 16.3657 29.5624 29.5624 31.1135 31.1135 k = 0.0000 0.0000 0.1081 ( 1229 PWs) bands (ev): -69.8595 -69.8595 -38.6753 -38.6753 -34.3797 -34.3797 -33.9773 -33.9773 -4.9513 -4.9513 10.0690 10.0690 10.2388 10.2388 11.2433 11.2433 11.5354 11.5354 11.6890 11.6890 12.2901 12.2901 12.7336 12.7336 13.0064 13.0064 16.4560 16.4560 29.5179 29.5179 30.9594 30.9594 k = 0.0000 0.0000 0.1189 ( 1233 PWs) bands (ev): -69.8594 -69.8594 -38.6758 -38.6758 -34.3807 -34.3807 -33.9776 -33.9776 -4.9382 -4.9382 9.9426 9.9426 10.1886 10.1886 11.1968 11.1968 11.5955 11.5955 11.7029 11.7029 12.2805 12.2805 12.7944 12.7944 13.0822 13.0822 16.5544 16.5544 29.4711 29.4711 30.8041 30.8041 k = 0.0000 0.0000 0.1297 ( 1233 PWs) bands (ev): -69.8593 -69.8593 -38.6763 -38.6763 -34.3817 -34.3817 -33.9779 -33.9779 -4.9240 -4.9240 9.8136 9.8136 10.1421 10.1421 11.1506 11.1506 11.6500 11.6500 11.7237 11.7237 12.2698 12.2698 12.8552 12.8552 13.1558 13.1558 16.6605 16.6605 29.4224 29.4224 30.6485 30.6485 k = 0.0000 0.0000 0.1405 ( 1233 PWs) bands (ev): -69.8591 -69.8591 -38.6769 -38.6769 -34.3828 -34.3828 -33.9783 -33.9783 -4.9088 -4.9088 9.6843 9.6843 10.0977 10.0977 11.1050 11.1050 11.6884 11.6884 11.7614 11.7614 12.2583 12.2583 12.9158 12.9158 13.2263 13.2263 16.7735 16.7735 29.3722 29.3722 30.4935 30.4935 k = 0.0000 0.0000 0.1513 ( 1233 PWs) bands (ev): -69.8590 -69.8590 -38.6775 -38.6775 -34.3840 -34.3840 -33.9786 -33.9786 -4.8928 -4.8928 9.5558 9.5558 10.0551 10.0551 11.0601 11.0601 11.7103 11.7103 11.8161 11.8161 12.2462 12.2462 12.9761 12.9761 13.2936 13.2936 16.8928 16.8928 29.3208 29.3208 30.3396 30.3396 k = 0.0000 0.0000 0.1622 ( 1229 PWs) bands (ev): -69.8588 -69.8588 -38.6782 -38.6782 -34.3853 -34.3853 -33.9790 -33.9790 -4.8758 -4.8758 9.4288 9.4288 10.0142 10.0142 11.0164 11.0164 11.7260 11.7260 11.8772 11.8772 12.2341 12.2341 13.0358 13.0358 13.3577 13.3577 17.0179 17.0179 29.2687 29.2687 30.1874 30.1874 k = 0.0000 0.0000 0.1730 ( 1231 PWs) bands (ev): -69.8586 -69.8586 -38.6789 -38.6789 -34.3866 -34.3866 -33.9795 -33.9795 -4.8581 -4.8581 9.3039 9.3039 9.9747 9.9747 10.9736 10.9736 11.7394 11.7394 11.9398 11.9398 12.2223 12.2223 13.0946 13.0946 13.4185 13.4185 17.1480 17.1480 29.2161 29.2161 30.0372 30.0372 k = 0.0000 0.0000 0.1838 ( 1231 PWs) bands (ev): -69.8584 -69.8584 -38.6796 -38.6796 -34.3881 -34.3881 -33.9799 -33.9799 -4.8396 -4.8396 9.1813 9.1813 9.9367 9.9367 10.9320 10.9320 11.7519 11.7519 12.0015 12.0015 12.2120 12.2120 13.1526 13.1526 13.4763 13.4763 17.2824 17.2824 29.1633 29.1633 29.8896 29.8896 k = 0.0000 0.0000 0.1946 ( 1227 PWs) bands (ev): -69.8582 -69.8582 -38.6804 -38.6804 -34.3895 -34.3895 -33.9804 -33.9804 -4.8206 -4.8206 9.0619 9.0619 9.9004 9.9004 10.8919 10.8919 11.7635 11.7635 12.0594 12.0594 12.2059 12.2059 13.2094 13.2094 13.5313 13.5313 17.4204 17.4204 29.1105 29.1105 29.7447 29.7447 k = 0.0000 0.0000 0.2054 ( 1227 PWs) bands (ev): -69.8580 -69.8580 -38.6812 -38.6812 -34.3911 -34.3911 -33.9808 -33.9808 -4.8009 -4.8009 8.9452 8.9452 9.8655 9.8655 10.8531 10.8531 11.7741 11.7741 12.1055 12.1055 12.2121 12.2121 13.2649 13.2649 13.5836 13.5836 17.5614 17.5614 29.0580 29.0580 29.6028 29.6028 k = 0.0000 0.0000 0.2162 ( 1228 PWs) bands (ev): -69.8578 -69.8578 -38.6820 -38.6820 -34.3927 -34.3927 -33.9813 -33.9813 -4.7808 -4.7808 8.8319 8.8319 9.8323 9.8323 10.8159 10.8159 11.7834 11.7834 12.1270 12.1270 12.2436 12.2436 13.3189 13.3189 13.6334 13.6334 17.7047 17.7047 29.0058 29.0058 29.4643 29.4643 k = 0.0000 0.0000 0.2270 ( 1232 PWs) bands (ev): -69.8576 -69.8576 -38.6829 -38.6829 -34.3944 -34.3944 -33.9819 -33.9819 -4.7603 -4.7603 8.7223 8.7223 9.8004 9.8004 10.7803 10.7803 11.7908 11.7908 12.1297 12.1297 12.2949 12.2949 13.3712 13.3712 13.6811 13.6811 17.8497 17.8497 28.9543 28.9543 29.3293 29.3293 k = 0.0000 0.0000 0.2378 ( 1232 PWs) bands (ev): -69.8573 -69.8573 -38.6838 -38.6838 -34.3961 -34.3961 -33.9824 -33.9824 -4.7395 -4.7395 8.6166 8.6166 9.7703 9.7703 10.7463 10.7463 11.7960 11.7960 12.1268 12.1268 12.3532 12.3532 13.4217 13.4217 13.7266 13.7266 17.9957 17.9957 28.9034 28.9034 29.1981 29.1981 k = 0.0000 0.0000 0.2486 ( 1224 PWs) bands (ev): -69.8571 -69.8571 -38.6847 -38.6847 -34.3978 -34.3978 -33.9829 -33.9829 -4.7184 -4.7184 8.5149 8.5149 9.7420 9.7420 10.7143 10.7143 11.7984 11.7984 12.1239 12.1239 12.4135 12.4135 13.4702 13.4702 13.7705 13.7705 18.1423 18.1423 28.8533 28.8533 29.0710 29.0710 k = 0.0000 0.0000 0.2594 ( 1220 PWs) bands (ev): -69.8568 -69.8568 -38.6856 -38.6856 -34.3997 -34.3997 -33.9835 -33.9835 -4.6973 -4.6973 8.4175 8.4175 9.7153 9.7153 10.6839 10.6839 11.7975 11.7975 12.1231 12.1231 12.4740 12.4740 13.5165 13.5165 13.8126 13.8126 18.2889 18.2889 28.8040 28.8040 28.9481 28.9481 k = 0.0000 0.0000 0.2703 ( 1222 PWs) bands (ev): -69.8565 -69.8565 -38.6866 -38.6866 -34.4015 -34.4015 -33.9841 -33.9841 -4.6761 -4.6761 8.3246 8.3246 9.6902 9.6902 10.6552 10.6552 11.7929 11.7929 12.1251 12.1251 12.5339 12.5339 13.5605 13.5605 13.8529 13.8529 18.4348 18.4348 28.7550 28.7550 28.8300 28.8300 k = 0.0000 0.0000 0.2811 ( 1222 PWs) bands (ev): -69.8563 -69.8563 -38.6876 -38.6876 -34.4034 -34.4034 -33.9847 -33.9847 -4.6550 -4.6550 8.2363 8.2363 9.6667 9.6667 10.6283 10.6283 11.7846 11.7846 12.1305 12.1305 12.5931 12.5931 13.6020 13.6020 13.8918 13.8918 18.5796 18.5796 28.6996 28.6996 28.7238 28.7238 k = 0.0000 0.0000 0.2919 ( 1226 PWs) bands (ev): -69.8560 -69.8560 -38.6886 -38.6886 -34.4054 -34.4054 -33.9853 -33.9853 -4.6340 -4.6340 8.1528 8.1528 9.6448 9.6448 10.6032 10.6032 11.7729 11.7729 12.1390 12.1390 12.6512 12.6512 13.6409 13.6409 13.9292 13.9292 18.7229 18.7229 28.6008 28.6008 28.6666 28.6666 k = 0.0000 0.0000 0.3027 ( 1226 PWs) bands (ev): -69.8558 -69.8558 -38.6896 -38.6896 -34.4074 -34.4074 -33.9859 -33.9859 -4.6133 -4.6133 8.0743 8.0743 9.6246 9.6246 10.5801 10.5801 11.7580 11.7580 12.1506 12.1506 12.7081 12.7081 13.6771 13.6771 13.9654 13.9654 18.8643 18.8643 28.4963 28.4963 28.6209 28.6209 k = 0.0000 0.0000 0.3135 ( 1228 PWs) bands (ev): -69.8555 -69.8555 -38.6907 -38.6907 -34.4094 -34.4094 -33.9866 -33.9866 -4.5928 -4.5928 8.0008 8.0008 9.6060 9.6060 10.5589 10.5589 11.7405 11.7405 12.1647 12.1647 12.7635 12.7635 13.7105 13.7105 14.0002 14.0002 19.0032 19.0032 28.3956 28.3956 28.5772 28.5772 k = 0.0000 0.0000 0.3243 ( 1224 PWs) bands (ev): -69.8552 -69.8552 -38.6917 -38.6917 -34.4114 -34.4114 -33.9872 -33.9872 -4.5728 -4.5728 7.9326 7.9326 9.5891 9.5891 10.5398 10.5398 11.7207 11.7207 12.1810 12.1810 12.8174 12.8174 13.7411 13.7411 14.0337 14.0337 19.1394 19.1394 28.2996 28.2996 28.5350 28.5350 k = 0.0000 0.0000 0.3351 ( 1220 PWs) bands (ev): -69.8549 -69.8549 -38.6928 -38.6928 -34.4134 -34.4134 -33.9878 -33.9878 -4.5533 -4.5533 7.8700 7.8700 9.5737 9.5737 10.5225 10.5225 11.6992 11.6992 12.1991 12.1991 12.8696 12.8696 13.7688 13.7688 14.0661 14.0661 19.2725 19.2725 28.2083 28.2083 28.4940 28.4940 k = 0.0000 0.0000 0.3459 ( 1220 PWs) bands (ev): -69.8546 -69.8546 -38.6939 -38.6939 -34.4155 -34.4155 -33.9885 -33.9885 -4.5344 -4.5344 7.8125 7.8125 9.5600 9.5600 10.5073 10.5073 11.6761 11.6761 12.2187 12.2187 12.9199 12.9199 13.7931 13.7931 14.0971 14.0971 19.4022 19.4022 28.1217 28.1217 28.4544 28.4544 k = 0.0000 0.0000 0.3567 ( 1218 PWs) bands (ev): -69.8543 -69.8543 -38.6950 -38.6950 -34.4176 -34.4176 -33.9891 -33.9891 -4.5161 -4.5161 7.7605 7.7605 9.5479 9.5479 10.4941 10.4941 11.6520 11.6520 12.2394 12.2394 12.9682 12.9682 13.8143 13.8143 14.1268 14.1268 19.5281 19.5281 28.0399 28.0399 28.4161 28.4161 k = 0.0000 0.0000 0.3675 ( 1218 PWs) bands (ev): -69.8540 -69.8540 -38.6961 -38.6961 -34.4197 -34.4197 -33.9898 -33.9898 -4.4985 -4.4985 7.7141 7.7141 9.5372 9.5372 10.4828 10.4828 11.6269 11.6269 12.2611 12.2611 13.0146 13.0146 13.8322 13.8322 14.1552 14.1552 19.6500 19.6500 27.9630 27.9630 28.3790 28.3790 k = 0.0000 0.0000 0.3784 ( 1224 PWs) bands (ev): -69.8537 -69.8537 -38.6972 -38.6972 -34.4218 -34.4218 -33.9904 -33.9904 -4.4817 -4.4817 7.6732 7.6732 9.5281 9.5281 10.4736 10.4736 11.6010 11.6010 12.2835 12.2835 13.0587 13.0587 13.8467 13.8467 14.1821 14.1821 19.7677 19.7677 27.8907 27.8907 28.3433 28.3433 k = 0.0000 0.0000 0.3892 ( 1220 PWs) bands (ev): -69.8534 -69.8534 -38.6983 -38.6983 -34.4239 -34.4239 -33.9911 -33.9911 -4.4657 -4.4657 7.6381 7.6381 9.5205 9.5205 10.4663 10.4663 11.5746 11.5746 12.3066 12.3066 13.1009 13.1009 13.8581 13.8581 14.2077 14.2077 19.8810 19.8810 27.8233 27.8233 28.3088 28.3088 k = 0.0000 0.0000 0.4000 ( 1224 PWs) bands (ev): -69.8531 -69.8531 -38.6994 -38.6994 -34.4260 -34.4260 -33.9918 -33.9918 -4.4506 -4.4506 7.6086 7.6086 9.5144 9.5144 10.4611 10.4611 11.5478 11.5478 12.3300 12.3300 13.1405 13.1405 13.8660 13.8660 14.2317 14.2317 19.9897 19.9897 27.7605 27.7605 28.2756 28.2756 k = 0.0000 0.0000 0.4108 ( 1228 PWs) bands (ev): -69.8529 -69.8529 -38.7006 -38.7006 -34.4282 -34.4282 -33.9924 -33.9924 -4.4365 -4.4365 7.5849 7.5849 9.5096 9.5096 10.4577 10.4577 11.5207 11.5207 12.3538 12.3538 13.1780 13.1780 13.8705 13.8705 14.2540 14.2540 20.0936 20.0936 27.7021 27.7021 28.2435 28.2435 k = 0.0000 0.0000 0.4216 ( 1228 PWs) bands (ev): -69.8526 -69.8526 -38.7017 -38.7017 -34.4303 -34.4303 -33.9931 -33.9931 -4.4233 -4.4233 7.5669 7.5669 9.5063 9.5063 10.4564 10.4564 11.4935 11.4935 12.3779 12.3779 13.2132 13.2132 13.8717 13.8717 14.2747 14.2747 20.1927 20.1927 27.6481 27.6481 28.2128 28.2128 k = 0.0000 0.0000 0.4324 ( 1224 PWs) bands (ev): -69.8523 -69.8523 -38.7028 -38.7028 -34.4323 -34.4323 -33.9937 -33.9937 -4.4111 -4.4111 7.5546 7.5546 9.5044 9.5044 10.4571 10.4571 11.4663 11.4663 12.4020 12.4020 13.2461 13.2461 13.8697 13.8697 14.2935 14.2935 20.2869 20.2869 27.5982 27.5982 28.1833 28.1833 k = 0.0000 0.0000 0.4432 ( 1224 PWs) bands (ev): -69.8520 -69.8520 -38.7039 -38.7039 -34.4344 -34.4344 -33.9944 -33.9944 -4.3999 -4.3999 7.5479 7.5479 9.5038 9.5038 10.4599 10.4599 11.4391 11.4391 12.4262 12.4262 13.2763 13.2763 13.8643 13.8643 14.3105 14.3105 20.3763 20.3763 27.5521 27.5521 28.1550 28.1550 k = 0.0000 0.0000 0.4540 ( 1222 PWs) bands (ev): -69.8517 -69.8517 -38.7049 -38.7049 -34.4365 -34.4365 -33.9950 -33.9950 -4.3898 -4.3898 7.5468 7.5468 9.5044 9.5044 10.4645 10.4645 11.4120 11.4120 12.4504 12.4504 13.3038 13.3038 13.8558 13.8558 14.3253 14.3253 20.4607 20.4607 27.5093 27.5093 28.1278 28.1278 k = 0.0000 0.0000 0.4648 ( 1230 PWs) bands (ev): -69.8514 -69.8514 -38.7060 -38.7060 -34.4385 -34.4385 -33.9957 -33.9957 -4.3807 -4.3807 7.5511 7.5511 9.5063 9.5063 10.4709 10.4709 11.3850 11.3850 12.4741 12.4741 13.3287 13.3287 13.8442 13.8442 14.3378 14.3378 20.5403 20.5403 27.4689 27.4689 28.1018 28.1018 k = 0.0000 0.0000 0.4756 ( 1230 PWs) bands (ev): -69.8511 -69.8511 -38.7071 -38.7071 -34.4405 -34.4405 -33.9963 -33.9963 -4.3727 -4.3727 7.5609 7.5609 9.5094 9.5094 10.4794 10.4794 11.3583 11.3583 12.4979 12.4979 13.3509 13.3509 13.8299 13.8299 14.3481 14.3481 20.6152 20.6152 27.4296 27.4296 28.0769 28.0769 k = 0.0000 0.0000 0.4865 ( 1234 PWs) bands (ev): -69.8508 -69.8508 -38.7081 -38.7081 -34.4425 -34.4425 -33.9969 -33.9969 -4.3656 -4.3656 7.5759 7.5759 9.5136 9.5136 10.4896 10.4896 11.3320 11.3320 12.5214 12.5214 13.3702 13.3702 13.8130 13.8130 14.3556 14.3556 20.6854 20.6854 27.3885 27.3885 28.0211 28.0211 k = 0.0000 0.0000 0.4973 ( 1234 PWs) bands (ev): -69.8506 -69.8506 -38.7092 -38.7092 -34.4444 -34.4444 -33.9975 -33.9975 -4.3596 -4.3596 7.5961 7.5961 9.5188 9.5188 10.5018 10.5018 11.3061 11.3061 12.5444 12.5444 13.3865 13.3865 13.7938 13.7938 14.3608 14.3608 20.7512 20.7512 27.3390 27.3390 27.8161 27.8161 k = 0.0000 0.0000 0.5081 ( 1234 PWs) bands (ev): -69.8503 -69.8503 -38.7102 -38.7102 -34.4463 -34.4463 -33.9981 -33.9981 -4.3545 -4.3545 7.6214 7.6214 9.5250 9.5250 10.5158 10.5158 11.2805 11.2805 12.5671 12.5671 13.3997 13.3997 13.7727 13.7727 14.3632 14.3632 20.8128 20.8128 27.2659 27.2659 27.6438 27.6438 k = 0.0000 0.0000 0.5189 ( 1234 PWs) bands (ev): -69.8500 -69.8500 -38.7112 -38.7112 -34.4482 -34.4482 -33.9987 -33.9987 -4.3504 -4.3504 7.6515 7.6515 9.5321 9.5321 10.5315 10.5315 11.2555 11.2555 12.5893 12.5893 13.4096 13.4096 13.7499 13.7499 14.3627 14.3627 20.8705 20.8705 27.1475 27.1475 27.5258 27.5258 k = 0.0000 0.0000 0.5297 ( 1234 PWs) bands (ev): -69.8498 -69.8498 -38.7122 -38.7122 -34.4500 -34.4500 -33.9993 -33.9993 -4.3472 -4.3472 7.6862 7.6862 9.5399 9.5399 10.5489 10.5489 11.2309 11.2309 12.6109 12.6109 13.4158 13.4158 13.7261 13.7261 14.3594 14.3594 20.9244 20.9244 26.9854 26.9854 27.4604 27.4604 k = 0.0000 0.0000 0.5405 ( 1234 PWs) bands (ev): -69.8495 -69.8495 -38.7131 -38.7131 -34.4518 -34.4518 -33.9999 -33.9999 -4.3449 -4.3449 7.7254 7.7254 9.5487 9.5487 10.5680 10.5680 11.2070 11.2070 12.6318 12.6318 13.4176 13.4176 13.7019 13.7019 14.3532 14.3532 20.9749 20.9749 26.8028 26.8028 27.4244 27.4244 k = 0.0000 0.0000 0.5513 ( 1238 PWs) bands (ev): -69.8493 -69.8493 -38.7141 -38.7141 -34.4536 -34.4536 -34.0004 -34.0004 -4.3433 -4.3433 7.7686 7.7686 9.5580 9.5580 10.5887 10.5887 11.1837 11.1837 12.6520 12.6520 13.4149 13.4149 13.6781 13.6781 14.3436 14.3436 21.0224 21.0224 26.6145 26.6145 27.4029 27.4029 k = 0.0000 0.0000 0.5621 ( 1242 PWs) bands (ev): -69.8490 -69.8490 -38.7150 -38.7150 -34.4553 -34.4553 -34.0009 -34.0009 -4.3425 -4.3425 7.8158 7.8158 9.5680 9.5680 10.6108 10.6108 11.1610 11.1610 12.6714 12.6714 13.4070 13.4070 13.6555 13.6555 14.3310 14.3310 21.0671 21.0671 26.4268 26.4268 27.3893 27.3893 k = 0.0000 0.0000 0.5729 ( 1242 PWs) bands (ev): -69.8488 -69.8488 -38.7158 -38.7158 -34.4569 -34.4569 -34.0015 -34.0015 -4.3425 -4.3425 7.8665 7.8665 9.5787 9.5787 10.6344 10.6344 11.1391 11.1391 12.6899 12.6899 13.3936 13.3936 13.6349 13.6349 14.3154 14.3154 21.1094 21.1094 26.2424 26.2424 27.3808 27.3808 k = 0.0000 0.0000 0.5837 ( 1242 PWs) bands (ev): -69.8486 -69.8486 -38.7167 -38.7167 -34.4585 -34.4585 -34.0019 -34.0019 -4.3430 -4.3430 7.9205 7.9205 9.5897 9.5897 10.6594 10.6594 11.1179 11.1179 12.7074 12.7074 13.3745 13.3745 13.6167 13.6167 14.2967 14.2967 21.1496 21.1496 26.0626 26.0626 27.3760 27.3760 k = 0.0000 0.0000 0.5946 ( 1242 PWs) bands (ev): -69.8484 -69.8484 -38.7175 -38.7175 -34.4600 -34.4600 -34.0024 -34.0024 -4.3441 -4.3441 7.9775 7.9775 9.6012 9.6012 10.6856 10.6856 11.0976 11.0976 12.7238 12.7238 13.3501 13.3501 13.6009 13.6009 14.2752 14.2752 21.1881 21.1881 25.8879 25.8879 27.3741 27.3741 k = 0.0000 0.0000 0.6054 ( 1238 PWs) bands (ev): -69.8481 -69.8481 -38.7183 -38.7183 -34.4615 -34.4615 -34.0029 -34.0029 -4.3457 -4.3457 8.0370 8.0370 9.6130 9.6130 10.7129 10.7129 11.0782 11.0782 12.7390 12.7390 13.3212 13.3212 13.5873 13.5873 14.2511 14.2511 21.2253 21.2253 25.7190 25.7190 27.3744 27.3744 k = 0.0000 0.0000 0.6162 ( 1238 PWs) bands (ev): -69.8479 -69.8479 -38.7190 -38.7190 -34.4629 -34.4629 -34.0033 -34.0033 -4.3478 -4.3478 8.0987 8.0987 9.6249 9.6249 10.7411 10.7411 11.0597 11.0597 12.7527 12.7527 13.2887 13.2887 13.5750 13.5750 14.2243 14.2243 21.2613 21.2613 25.5559 25.5559 27.3765 27.3765 k = 0.0000 0.0000 0.6270 ( 1238 PWs) bands (ev): -69.8477 -69.8477 -38.7198 -38.7198 -34.4642 -34.4642 -34.0038 -34.0038 -4.3502 -4.3502 8.1620 8.1620 9.6369 9.6369 10.7701 10.7701 11.0422 11.0422 12.7647 12.7647 13.2538 13.2538 13.5636 13.5636 14.1952 14.1952 21.2964 21.2964 25.3989 25.3989 27.3800 27.3800 k = 0.0000 0.0000 0.6378 ( 1240 PWs) bands (ev): -69.8475 -69.8475 -38.7204 -38.7204 -34.4655 -34.4655 -34.0042 -34.0042 -4.3529 -4.3529 8.2266 8.2266 9.6489 9.6489 10.7996 10.7996 11.0258 11.0258 12.7748 12.7748 13.2176 13.2176 13.5525 13.5525 14.1642 14.1642 21.3310 21.3310 25.2481 25.2481 27.3847 27.3847 k = 0.0000 0.0000 0.6486 ( 1240 PWs) bands (ev): -69.8474 -69.8474 -38.7211 -38.7211 -34.4667 -34.4667 -34.0045 -34.0045 -4.3558 -4.3558 8.2920 8.2920 9.6609 9.6609 10.8293 10.8293 11.0108 11.0108 12.7826 12.7826 13.1811 13.1811 13.5415 13.5415 14.1317 14.1317 21.3651 21.3651 25.1038 25.1038 27.3904 27.3904 k = 0.0000 0.0000 0.6594 ( 1240 PWs) bands (ev): -69.8472 -69.8472 -38.7217 -38.7217 -34.4678 -34.4678 -34.0049 -34.0049 -4.3589 -4.3589 8.3577 8.3577 9.6726 9.6726 10.8585 10.8585 10.9976 10.9976 12.7875 12.7875 13.1455 13.1455 13.5303 13.5303 14.0982 14.0982 21.3989 21.3989 24.9659 24.9659 27.3967 27.3967 k = 0.0000 0.0000 0.6702 ( 1244 PWs) bands (ev): -69.8471 -69.8471 -38.7223 -38.7223 -34.4689 -34.4689 -34.0052 -34.0052 -4.3621 -4.3621 8.4229 8.4229 9.6841 9.6841 10.8861 10.8861 10.9872 10.9872 12.7890 12.7890 13.1116 13.1116 13.5186 13.5186 14.0641 14.0641 21.4325 21.4325 24.8348 24.8348 27.4033 27.4033 k = 0.0000 0.0000 0.6810 ( 1244 PWs) bands (ev): -69.8469 -69.8469 -38.7228 -38.7228 -34.4699 -34.4699 -34.0055 -34.0055 -4.3654 -4.3654 8.4873 8.4873 9.6952 9.6952 10.9090 10.9090 10.9824 10.9824 12.7865 12.7865 13.0811 13.0811 13.5065 13.5065 14.0301 14.0301 21.4658 21.4658 24.7107 24.7107 27.4104 27.4104 k = 0.0000 0.0000 0.6918 ( 1244 PWs) bands (ev): -69.8468 -69.8468 -38.7233 -38.7233 -34.4708 -34.4708 -34.0058 -34.0058 -4.3686 -4.3686 8.5501 8.5501 9.7058 9.7058 10.9213 10.9213 10.9888 10.9888 12.7793 12.7793 13.0548 13.0548 13.4940 13.4940 13.9967 13.9967 21.4988 21.4988 24.5937 24.5937 27.4175 27.4175 k = 0.0000 0.0000 0.7027 ( 1244 PWs) bands (ev): -69.8466 -69.8466 -38.7238 -38.7238 -34.4717 -34.4717 -34.0061 -34.0061 -4.3717 -4.3717 8.6107 8.6107 9.7158 9.7158 10.9218 10.9218 11.0075 11.0075 12.7671 12.7671 13.0334 13.0334 13.4810 13.4810 13.9644 13.9644 21.5313 21.5313 24.4842 24.4842 27.4245 27.4245 k = 0.0000 0.0000 0.7135 ( 1244 PWs) bands (ev): -69.8465 -69.8465 -38.7242 -38.7242 -34.4724 -34.4724 -34.0063 -34.0063 -4.3747 -4.3747 8.6684 8.6684 9.7252 9.7252 10.9166 10.9166 11.0319 11.0319 12.7505 12.7505 13.0171 13.0171 13.4677 13.4677 13.9340 13.9340 21.5630 21.5630 24.3826 24.3826 27.4313 27.4313 k = 0.0000 0.0000 0.7243 ( 1242 PWs) bands (ev): -69.8464 -69.8464 -38.7246 -38.7246 -34.4731 -34.4731 -34.0066 -34.0066 -4.3775 -4.3775 8.7225 8.7225 9.7339 9.7339 10.9099 10.9099 11.0574 11.0574 12.7305 12.7305 13.0053 13.0053 13.4543 13.4543 13.9059 13.9059 21.5936 21.5936 24.2893 24.2893 27.4377 27.4377 k = 0.0000 0.0000 0.7351 ( 1242 PWs) bands (ev): -69.8463 -69.8463 -38.7249 -38.7249 -34.4737 -34.4737 -34.0068 -34.0068 -4.3801 -4.3801 8.7723 8.7723 9.7418 9.7418 10.9032 10.9032 11.0823 11.0823 12.7085 12.7085 12.9970 12.9970 13.4411 13.4411 13.8804 13.8804 21.6227 21.6227 24.2048 24.2048 27.4436 27.4436 k = 0.0000 0.0000 0.7459 ( 1242 PWs) bands (ev): -69.8462 -69.8462 -38.7252 -38.7252 -34.4743 -34.4743 -34.0069 -34.0069 -4.3824 -4.3824 8.8172 8.8172 9.7488 9.7488 10.8969 10.8969 11.1056 11.1056 12.6861 12.6861 12.9914 12.9914 13.4284 13.4284 13.8579 13.8579 21.6496 21.6496 24.1298 24.1298 27.4490 27.4490 k = 0.0000 0.0000 0.7567 ( 1242 PWs) bands (ev): -69.8462 -69.8462 -38.7254 -38.7254 -34.4747 -34.4747 -34.0071 -34.0071 -4.3845 -4.3845 8.8565 8.8565 9.7548 9.7548 10.8915 10.8915 11.1265 11.1265 12.6648 12.6648 12.9875 12.9875 13.4167 13.4167 13.8387 13.8387 21.6739 21.6739 24.0647 24.0647 27.4537 27.4537 k = 0.0000 0.0000 0.7675 ( 1242 PWs) bands (ev): -69.8461 -69.8461 -38.7256 -38.7256 -34.4751 -34.4751 -34.0072 -34.0072 -4.3862 -4.3862 8.8896 8.8896 9.7598 9.7598 10.8869 10.8869 11.1445 11.1445 12.6457 12.6457 12.9849 12.9849 13.4063 13.4063 13.8230 13.8230 21.6950 21.6950 24.0103 24.0103 27.4577 27.4577 k = 0.0000 0.0000 0.7783 ( 1242 PWs) bands (ev): -69.8461 -69.8461 -38.7258 -38.7258 -34.4754 -34.4754 -34.0073 -34.0073 -4.3875 -4.3875 8.9159 8.9159 9.7638 9.7638 10.8833 10.8833 11.1590 11.1590 12.6299 12.6299 12.9831 12.9831 13.3978 13.3978 13.8107 13.8107 21.7121 21.7121 23.9672 23.9672 27.4608 27.4608 k = 0.0000 0.0000 0.7891 ( 1238 PWs) bands (ev): -69.8460 -69.8460 -38.7259 -38.7259 -34.4756 -34.4756 -34.0073 -34.0073 -4.3885 -4.3885 8.9350 8.9350 9.7667 9.7667 10.8809 10.8809 11.1698 11.1698 12.6180 12.6180 12.9819 12.9819 13.3914 13.3914 13.8021 13.8021 21.7248 21.7248 23.9359 23.9359 27.4631 27.4631 k = 0.0000 0.0000 0.7999 ( 1242 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3891 -4.3891 8.9466 8.9466 9.7684 9.7684 10.8794 10.8794 11.1763 11.1763 12.6105 12.6105 12.9811 12.9811 13.3873 13.3873 13.7968 13.7968 21.7327 21.7327 23.9169 23.9169 27.4644 27.4644 k = 0.0000 0.0000 0.8108 ( 1246 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4758 -34.4758 -34.0074 -34.0074 -4.3893 -4.3893 8.9503 8.9503 9.7690 9.7690 10.8788 10.8788 11.1785 11.1785 12.6081 12.6081 12.9809 12.9809 13.3858 13.3858 13.7949 13.7949 21.7353 21.7353 23.9106 23.9106 27.4649 27.4649 k = 0.0000 0.0000 0.8108 ( 1246 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4758 -34.4758 -34.0074 -34.0074 -4.3893 -4.3893 8.9503 8.9503 9.7690 9.7690 10.8788 10.8788 11.1785 11.1785 12.6081 12.6081 12.9809 12.9809 13.3858 13.3858 13.7949 13.7949 21.7353 21.7353 23.9106 23.9106 27.4649 27.4649 k =-0.0067 0.0085 0.8108 ( 1250 PWs) bands (ev): -69.8461 -69.8461 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3890 -4.3890 8.9501 8.9501 9.7633 9.7633 10.8598 10.8598 11.1980 11.1980 12.6084 12.6084 12.9828 12.9828 13.3870 13.3870 13.7972 13.7972 21.7379 21.7379 23.9113 23.9113 27.3742 27.3742 k =-0.0133 0.0170 0.8108 ( 1246 PWs) bands (ev): -69.8461 -69.8461 -38.7259 -38.7259 -34.4756 -34.4756 -34.0074 -34.0074 -4.3879 -4.3879 8.9491 8.9491 9.7467 9.7467 10.8134 10.8134 11.2467 11.2467 12.6095 12.6095 12.9882 12.9882 13.3905 13.3905 13.8044 13.8044 21.7456 21.7456 23.9136 23.9136 27.2140 27.2140 k =-0.0200 0.0255 0.8108 ( 1238 PWs) bands (ev): -69.8461 -69.8461 -38.7258 -38.7258 -34.4754 -34.4754 -34.0074 -34.0074 -4.3862 -4.3862 8.9475 8.9475 9.7195 9.7195 10.7538 10.7538 11.3104 11.3104 12.6113 12.6113 12.9969 12.9969 13.3962 13.3962 13.8166 13.8166 21.7584 21.7584 23.9175 23.9175 27.0421 27.0421 k =-0.0267 0.0341 0.8108 ( 1238 PWs) bands (ev): -69.8461 -69.8461 -38.7257 -38.7257 -34.4751 -34.4751 -34.0074 -34.0074 -4.3838 -4.3838 8.9451 8.9451 9.6822 9.6822 10.6884 10.6884 11.3810 11.3810 12.6134 12.6134 13.0079 13.0079 13.4036 13.4036 13.8338 13.8338 21.7764 21.7764 23.9228 23.9228 26.8678 26.8678 k =-0.0334 0.0426 0.8108 ( 1238 PWs) bands (ev): -69.8461 -69.8461 -38.7256 -38.7256 -34.4748 -34.4748 -34.0074 -34.0074 -4.3807 -4.3807 8.9421 8.9421 9.6359 9.6359 10.6207 10.6207 11.4555 11.4555 12.6161 12.6161 13.0206 13.0206 13.4126 13.4126 13.8565 13.8565 21.7994 21.7994 23.9297 23.9297 26.6933 26.6933 k =-0.0400 0.0511 0.8108 ( 1240 PWs) bands (ev): -69.8462 -69.8462 -38.7254 -38.7254 -34.4744 -34.4744 -34.0075 -34.0075 -4.3770 -4.3770 8.9385 8.9385 9.5814 9.5814 10.5522 10.5522 11.5322 11.5322 12.6192 12.6192 13.0343 13.0343 13.4226 13.4226 13.8848 13.8848 21.8276 21.8276 23.9381 23.9381 26.5195 26.5195 k =-0.0467 0.0596 0.8108 ( 1244 PWs) bands (ev): -69.8463 -69.8463 -38.7252 -38.7252 -34.4739 -34.4739 -34.0075 -34.0075 -4.3727 -4.3727 8.9342 8.9342 9.5199 9.5199 10.4836 10.4836 11.6101 11.6101 12.6226 12.6226 13.0481 13.0481 13.4333 13.4333 13.9189 13.9189 21.8607 21.8607 23.9481 23.9481 26.3471 26.3471 k =-0.0534 0.0681 0.8108 ( 1244 PWs) bands (ev): -69.8463 -69.8463 -38.7249 -38.7249 -34.4734 -34.4734 -34.0075 -34.0075 -4.3679 -4.3679 8.9292 8.9292 9.4525 9.4525 10.4156 10.4156 11.6889 11.6889 12.6265 12.6265 13.0618 13.0618 13.4441 13.4441 13.9588 13.9588 21.8989 21.8989 23.9599 23.9599 26.1762 26.1762 k =-0.0600 0.0766 0.8108 ( 1244 PWs) bands (ev): -69.8464 -69.8464 -38.7246 -38.7246 -34.4727 -34.4727 -34.0076 -34.0076 -4.3625 -4.3625 8.9236 8.9236 9.3802 9.3802 10.3484 10.3484 11.7680 11.7680 12.6309 12.6309 13.0747 13.0747 13.4545 13.4545 14.0041 14.0041 21.9419 21.9419 23.9733 23.9733 26.0070 26.0070 k =-0.0667 0.0852 0.8108 ( 1244 PWs) bands (ev): -69.8465 -69.8465 -38.7243 -38.7243 -34.4721 -34.4721 -34.0076 -34.0076 -4.3567 -4.3567 8.9172 8.9172 9.3042 9.3042 10.2821 10.2821 11.8472 11.8472 12.6357 12.6357 13.0869 13.0869 13.4643 13.4643 14.0543 14.0543 21.9898 21.9898 23.9884 23.9884 25.8397 25.8397 k =-0.0734 0.0937 0.8108 ( 1244 PWs) bands (ev): -69.8466 -69.8466 -38.7240 -38.7240 -34.4713 -34.4713 -34.0076 -34.0076 -4.3504 -4.3504 8.9098 8.9098 9.2258 9.2258 10.2169 10.2169 11.9263 11.9263 12.6409 12.6409 13.0981 13.0981 13.4731 13.4731 14.1086 14.1086 22.0423 22.0423 24.0053 24.0053 25.6746 25.6746 k =-0.0801 0.1022 0.8108 ( 1248 PWs) bands (ev): -69.8467 -69.8467 -38.7236 -38.7236 -34.4705 -34.4705 -34.0077 -34.0077 -4.3437 -4.3437 8.9008 8.9008 9.1464 9.1464 10.1530 10.1530 12.0048 12.0048 12.6467 12.6467 13.1084 13.1084 13.4807 13.4807 14.1660 14.1660 22.0995 22.0995 24.0239 24.0239 25.5116 25.5116 k =-0.0867 0.1107 0.8108 ( 1248 PWs) bands (ev): -69.8469 -69.8469 -38.7232 -38.7232 -34.4696 -34.4696 -34.0077 -34.0077 -4.3367 -4.3367 8.8887 8.8887 9.0685 9.0685 10.0904 10.0904 12.0827 12.0827 12.6530 12.6530 13.1180 13.1180 13.4871 13.4871 14.2261 14.2261 22.1610 22.1610 24.0445 24.0445 25.3510 25.3510 k =-0.0934 0.1192 0.8108 ( 1248 PWs) bands (ev): -69.8470 -69.8470 -38.7228 -38.7228 -34.4686 -34.4686 -34.0078 -34.0078 -4.3294 -4.3294 8.8687 8.8687 8.9976 8.9976 10.0292 10.0292 12.1595 12.1595 12.6601 12.6601 13.1268 13.1268 13.4923 13.4923 14.2879 14.2879 22.2266 22.2266 24.0668 24.0668 25.1930 25.1930 k =-0.1001 0.1277 0.8108 ( 1248 PWs) bands (ev): -69.8471 -69.8471 -38.7223 -38.7223 -34.4676 -34.4676 -34.0078 -34.0078 -4.3220 -4.3220 8.8297 8.8297 8.9455 8.9455 9.9694 9.9694 12.2349 12.2349 12.6681 12.6681 13.1351 13.1351 13.4961 13.4961 14.3504 14.3504 22.2962 22.2962 24.0910 24.0910 25.0378 25.0378 k =-0.1067 0.1362 0.8108 ( 1244 PWs) bands (ev): -69.8472 -69.8472 -38.7218 -38.7218 -34.4665 -34.4665 -34.0079 -34.0079 -4.3144 -4.3144 8.7672 8.7672 8.9176 8.9176 9.9112 9.9112 12.3083 12.3083 12.6774 12.6774 13.1428 13.1428 13.4986 13.4986 14.4131 14.4131 22.3694 22.3694 24.1168 24.1168 24.8857 24.8857 k =-0.1134 0.1448 0.8108 ( 1244 PWs) bands (ev): -69.8474 -69.8474 -38.7213 -38.7213 -34.4653 -34.4653 -34.0080 -34.0080 -4.3067 -4.3067 8.6930 8.6930 8.9025 8.9025 9.8545 9.8545 12.3791 12.3791 12.6884 12.6884 13.1501 13.1501 13.4996 13.4996 14.4752 14.4752 22.4458 22.4458 24.1439 24.1439 24.7373 24.7373 k =-0.1201 0.1533 0.8108 ( 1244 PWs) bands (ev): -69.8476 -69.8476 -38.7207 -38.7207 -34.4641 -34.4641 -34.0080 -34.0080 -4.2991 -4.2991 8.6157 8.6157 8.8922 8.8922 9.7995 9.7995 12.4459 12.4459 12.7024 12.7024 13.1570 13.1570 13.4992 13.4992 14.5361 14.5361 22.5251 22.5251 24.1712 24.1712 24.5938 24.5938 k =-0.1268 0.1618 0.8108 ( 1244 PWs) bands (ev): -69.8477 -69.8477 -38.7202 -38.7202 -34.4628 -34.4628 -34.0081 -34.0081 -4.2915 -4.2915 8.5386 8.5386 8.8841 8.8841 9.7460 9.7460 12.5068 12.5068 12.7209 12.7209 13.1636 13.1636 13.4971 13.4971 14.5954 14.5954 22.6068 22.6068 24.1946 24.1946 24.4596 24.4596 k =-0.1334 0.1703 0.8108 ( 1244 PWs) bands (ev): -69.8479 -69.8479 -38.7196 -38.7196 -34.4615 -34.4615 -34.0081 -34.0081 -4.2841 -4.2841 8.4630 8.4630 8.8773 8.8773 9.6943 9.6943 12.5590 12.5590 12.7467 12.7467 13.1699 13.1699 13.4937 13.4937 14.6526 14.6526 22.6902 22.6902 24.1933 24.1933 24.3556 24.3556 k =-0.1401 0.1788 0.8108 ( 1248 PWs) bands (ev): -69.8481 -69.8481 -38.7190 -38.7190 -34.4601 -34.4601 -34.0082 -34.0082 -4.2770 -4.2770 8.3896 8.3896 8.8714 8.8714 9.6441 9.6441 12.5998 12.5998 12.7821 12.7821 13.1760 13.1760 13.4887 13.4887 14.7073 14.7073 22.7749 22.7749 24.1170 24.1170 24.3324 24.3324 k =-0.1468 0.1873 0.8108 ( 1248 PWs) bands (ev): -69.8483 -69.8483 -38.7183 -38.7183 -34.4587 -34.4587 -34.0083 -34.0083 -4.2701 -4.2701 8.3191 8.3191 8.8663 8.8663 9.5958 9.5958 12.6293 12.6293 12.8269 12.8269 13.1820 13.1820 13.4823 13.4823 14.7594 14.7594 22.8602 22.8602 23.9977 23.9977 24.3580 24.3580 k =-0.1534 0.1959 0.8108 ( 1256 PWs) bands (ev): -69.8485 -69.8485 -38.7177 -38.7177 -34.4572 -34.4572 -34.0084 -34.0084 -4.2637 -4.2637 8.2520 8.2520 8.8619 8.8619 9.5491 9.5491 12.6502 12.6502 12.8775 12.8775 13.1877 13.1877 13.4744 13.4744 14.8082 14.8082 22.9452 22.9452 23.8714 23.8714 24.3966 24.3966 k =-0.1534 0.1959 0.8108 ( 1256 PWs) bands (ev): -69.8485 -69.8485 -38.7177 -38.7177 -34.4572 -34.4572 -34.0084 -34.0084 -4.2637 -4.2637 8.2520 8.2520 8.8619 8.8619 9.5491 9.5491 12.6502 12.6502 12.8775 12.8775 13.1877 13.1877 13.4744 13.4744 14.8082 14.8082 22.9452 22.9452 23.8714 23.8714 24.3966 24.3966 k =-0.1581 0.2018 0.8032 ( 1254 PWs) bands (ev): -69.8486 -69.8486 -38.7172 -38.7172 -34.4561 -34.4561 -34.0084 -34.0084 -4.2592 -4.2592 8.2065 8.2065 8.8577 8.8577 9.5172 9.5172 12.6608 12.6608 12.9155 12.9155 13.1923 13.1923 13.4697 13.4697 14.8422 14.8422 23.0020 23.0020 23.7829 23.7829 24.4296 24.4296 k =-0.1628 0.2078 0.7956 ( 1254 PWs) bands (ev): -69.8488 -69.8488 -38.7167 -38.7167 -34.4550 -34.4550 -34.0084 -34.0084 -4.2548 -4.2548 8.1618 8.1618 8.8508 8.8508 9.4860 9.4860 12.6684 12.6684 12.9532 12.9532 13.1984 13.1984 13.4671 13.4671 14.8776 14.8776 23.0535 23.0535 23.6951 23.6951 24.4687 24.4687 k =-0.1675 0.2138 0.7880 ( 1251 PWs) bands (ev): -69.8489 -69.8489 -38.7161 -38.7161 -34.4539 -34.4539 -34.0084 -34.0084 -4.2503 -4.2503 8.1181 8.1181 8.8412 8.8412 9.4553 9.4553 12.6747 12.6747 12.9870 12.9870 13.2077 13.2077 13.4673 13.4673 14.9144 14.9144 23.0997 23.0997 23.6084 23.6084 24.5124 24.5124 k =-0.1722 0.2198 0.7804 ( 1246 PWs) bands (ev): -69.8491 -69.8491 -38.7156 -38.7156 -34.4527 -34.4527 -34.0084 -34.0084 -4.2458 -4.2458 8.0754 8.0754 8.8290 8.8290 9.4253 9.4253 12.6803 12.6803 13.0136 13.0136 13.2223 13.2223 13.4708 13.4708 14.9526 14.9526 23.1408 23.1408 23.5232 23.5232 24.5592 24.5592 k =-0.1769 0.2257 0.7728 ( 1246 PWs) bands (ev): -69.8492 -69.8492 -38.7150 -38.7150 -34.4515 -34.4515 -34.0084 -34.0084 -4.2413 -4.2413 8.0337 8.0337 8.8143 8.8143 9.3958 9.3958 12.6856 12.6856 13.0301 13.0301 13.2443 13.2443 13.4775 13.4775 14.9922 14.9922 23.1772 23.1772 23.4395 23.4395 24.6075 24.6075 k =-0.1815 0.2317 0.7652 ( 1246 PWs) bands (ev): -69.8494 -69.8494 -38.7144 -38.7144 -34.4502 -34.4502 -34.0084 -34.0084 -4.2368 -4.2368 7.9932 7.9932 8.7973 8.7973 9.3670 9.3670 12.6909 12.6909 13.0363 13.0363 13.2736 13.2736 13.4873 13.4873 15.0332 15.0332 23.2093 23.2093 23.3575 23.3575 24.6556 24.6556 k =-0.1862 0.2377 0.7576 ( 1248 PWs) bands (ev): -69.8496 -69.8496 -38.7139 -38.7139 -34.4490 -34.4490 -34.0084 -34.0084 -4.2323 -4.2323 7.9539 7.9539 8.7783 8.7783 9.3388 9.3388 12.6963 12.6963 13.0338 13.0338 13.3086 13.3086 13.5002 13.5002 15.0756 15.0756 23.2360 23.2360 23.2788 23.2788 24.7017 24.7017 k =-0.1909 0.2437 0.7500 ( 1246 PWs) bands (ev): -69.8497 -69.8497 -38.7133 -38.7133 -34.4477 -34.4477 -34.0083 -34.0083 -4.2278 -4.2278 7.9158 7.9158 8.7574 8.7574 9.3113 9.3113 12.7019 12.7019 13.0251 13.0251 13.3471 13.3471 13.5157 13.5157 15.1196 15.1196 23.1958 23.1958 23.2656 23.2656 24.7442 24.7442 k =-0.1956 0.2497 0.7424 ( 1242 PWs) bands (ev): -69.8499 -69.8499 -38.7127 -38.7127 -34.4464 -34.4464 -34.0083 -34.0083 -4.2234 -4.2234 7.8790 7.8790 8.7348 8.7348 9.2845 9.2845 12.7074 12.7074 13.0123 13.0123 13.3872 13.3872 13.5336 13.5336 15.1651 15.1651 23.1197 23.1197 23.2875 23.2875 24.7815 24.7815 k =-0.2003 0.2556 0.7348 ( 1248 PWs) bands (ev): -69.8501 -69.8501 -38.7121 -38.7121 -34.4452 -34.4452 -34.0082 -34.0082 -4.2190 -4.2190 7.8434 7.8434 8.7106 8.7106 9.2584 9.2584 12.7125 12.7125 12.9970 12.9970 13.4276 13.4276 13.5531 13.5531 15.2118 15.2118 23.0448 23.0448 23.3077 23.3077 24.8124 24.8124 k =-0.2050 0.2616 0.7272 ( 1248 PWs) bands (ev): -69.8502 -69.8502 -38.7115 -38.7115 -34.4439 -34.4439 -34.0081 -34.0081 -4.2147 -4.2147 7.8092 7.8092 8.6853 8.6853 9.2330 9.2330 12.7172 12.7172 12.9803 12.9803 13.4675 13.4675 13.5746 13.5746 15.2601 15.2601 22.9717 22.9717 23.3260 23.3260 24.8358 24.8358 k =-0.2096 0.2676 0.7196 ( 1248 PWs) bands (ev): -69.8504 -69.8504 -38.7109 -38.7109 -34.4426 -34.4426 -34.0080 -34.0080 -4.2104 -4.2104 7.7763 7.7763 8.6589 8.6589 9.2083 9.2083 12.7209 12.7209 12.9635 12.9635 13.5062 13.5062 13.5976 13.5976 15.3098 15.3098 22.9006 22.9006 23.3428 23.3428 24.8511 24.8511 k =-0.2143 0.2736 0.7120 ( 1250 PWs) bands (ev): -69.8506 -69.8506 -38.7103 -38.7103 -34.4413 -34.4413 -34.0079 -34.0079 -4.2063 -4.2063 7.7447 7.7447 8.6318 8.6318 9.1844 9.1844 12.7231 12.7231 12.9474 12.9474 13.5429 13.5429 13.6222 13.6222 15.3607 15.3607 22.8316 22.8316 23.3582 23.3582 24.8578 24.8578 k =-0.2190 0.2795 0.7044 ( 1250 PWs) bands (ev): -69.8508 -69.8508 -38.7097 -38.7097 -34.4401 -34.4401 -34.0078 -34.0078 -4.2022 -4.2022 7.7145 7.7145 8.6041 8.6041 9.1613 9.1613 12.7231 12.7231 12.9332 12.9332 13.5772 13.5772 13.6483 13.6483 15.4128 15.4128 22.7648 22.7648 23.3723 23.3723 24.8559 24.8559 k =-0.2237 0.2855 0.6968 ( 1247 PWs) bands (ev): -69.8509 -69.8509 -38.7091 -38.7091 -34.4388 -34.4388 -34.0077 -34.0077 -4.1982 -4.1982 7.6856 7.6856 8.5761 8.5761 9.1390 9.1390 12.7202 12.7202 12.9219 12.9219 13.6087 13.6087 13.6761 13.6761 15.4659 15.4659 22.7001 22.7001 23.3854 23.3854 24.8457 24.8457 k =-0.2284 0.2915 0.6893 ( 1245 PWs) bands (ev): -69.8511 -69.8511 -38.7085 -38.7085 -34.4376 -34.4376 -34.0076 -34.0076 -4.1943 -4.1943 7.6581 7.6581 8.5479 8.5479 9.1176 9.1176 12.7139 12.7139 12.9140 12.9140 13.6373 13.6373 13.7050 13.7050 15.5199 15.5199 22.6379 22.6379 23.3976 23.3976 24.8275 24.8275 k =-0.2331 0.2975 0.6817 ( 1247 PWs) bands (ev): -69.8513 -69.8513 -38.7079 -38.7079 -34.4365 -34.4365 -34.0075 -34.0075 -4.1906 -4.1906 7.6319 7.6319 8.5198 8.5198 9.0969 9.0969 12.7039 12.7039 12.9100 12.9100 13.6633 13.6633 13.7347 13.7347 15.5745 15.5745 22.5779 22.5779 23.4089 23.4089 24.8021 24.8021 k =-0.2377 0.3035 0.6741 ( 1245 PWs) bands (ev): -69.8514 -69.8514 -38.7074 -38.7074 -34.4353 -34.4353 -34.0073 -34.0073 -4.1870 -4.1870 7.6072 7.6072 8.4920 8.4920 9.0771 9.0771 12.6908 12.6908 12.9095 12.9095 13.6870 13.6870 13.7644 13.7644 15.6295 15.6295 22.5204 22.5204 23.4195 23.4195 24.7704 24.7704 k =-0.2424 0.3094 0.6665 ( 1245 PWs) bands (ev): -69.8516 -69.8516 -38.7069 -38.7069 -34.4342 -34.4342 -34.0072 -34.0072 -4.1835 -4.1835 7.5837 7.5837 8.4646 8.4646 9.0583 9.0583 12.6751 12.6751 12.9120 12.9120 13.7089 13.7089 13.7937 13.7937 15.6846 15.6846 22.4654 22.4654 23.4292 23.4292 24.7332 24.7332 k =-0.2471 0.3154 0.6589 ( 1243 PWs) bands (ev): -69.8517 -69.8517 -38.7063 -38.7063 -34.4331 -34.4331 -34.0071 -34.0071 -4.1802 -4.1802 7.5616 7.5616 8.4377 8.4377 9.0403 9.0403 12.6576 12.6576 12.9169 12.9169 13.7293 13.7293 13.8221 13.8221 15.7396 15.7396 22.4129 22.4129 23.4383 23.4383 24.6917 24.6917 k =-0.2518 0.3214 0.6513 ( 1241 PWs) bands (ev): -69.8519 -69.8519 -38.7058 -38.7058 -34.4321 -34.4321 -34.0069 -34.0069 -4.1770 -4.1770 7.5408 7.5408 8.4117 8.4117 9.0233 9.0233 12.6391 12.6391 12.9235 12.9235 13.7483 13.7483 13.8492 13.8492 15.7942 15.7942 22.3631 22.3631 23.4466 23.4466 24.6467 24.6467 k =-0.2565 0.3274 0.6437 ( 1241 PWs) bands (ev): -69.8520 -69.8520 -38.7053 -38.7053 -34.4311 -34.4311 -34.0068 -34.0068 -4.1740 -4.1740 7.5213 7.5213 8.3866 8.3866 9.0071 9.0071 12.6200 12.6200 12.9313 12.9313 13.7659 13.7659 13.8749 13.8749 15.8481 15.8481 22.3159 22.3159 23.4543 23.4543 24.5993 24.5993 k =-0.2612 0.3333 0.6361 ( 1239 PWs) bands (ev): -69.8521 -69.8521 -38.7049 -38.7049 -34.4301 -34.4301 -34.0066 -34.0066 -4.1711 -4.1711 7.5031 7.5031 8.3626 8.3626 8.9919 8.9919 12.6010 12.6010 12.9398 12.9398 13.7823 13.7823 13.8992 13.8992 15.9008 15.9008 22.2715 22.2715 23.4612 23.4612 24.5504 24.5504 k =-0.2658 0.3393 0.6285 ( 1239 PWs) bands (ev): -69.8522 -69.8522 -38.7044 -38.7044 -34.4292 -34.4292 -34.0065 -34.0065 -4.1685 -4.1685 7.4862 7.4862 8.3397 8.3397 8.9777 8.9777 12.5823 12.5823 12.9486 12.9486 13.7974 13.7974 13.9219 13.9219 15.9520 15.9520 22.2299 22.2299 23.4674 23.4674 24.5009 24.5009 k =-0.2705 0.3453 0.6209 ( 1236 PWs) bands (ev): -69.8524 -69.8524 -38.7040 -38.7040 -34.4284 -34.4284 -34.0064 -34.0064 -4.1660 -4.1660 7.4706 7.4706 8.3181 8.3181 8.9645 8.9645 12.5641 12.5641 12.9577 12.9577 13.8113 13.8113 13.9429 13.9429 16.0014 16.0014 22.1912 22.1912 23.4729 23.4729 24.4518 24.4518 k =-0.2752 0.3513 0.6133 ( 1236 PWs) bands (ev): -69.8525 -69.8525 -38.7037 -38.7037 -34.4276 -34.4276 -34.0063 -34.0063 -4.1636 -4.1636 7.4563 7.4563 8.2978 8.2978 8.9523 8.9523 12.5468 12.5468 12.9666 12.9666 13.8241 13.8241 13.9622 13.9622 16.0487 16.0487 22.1553 22.1553 23.4777 23.4777 24.4039 24.4039 k =-0.2799 0.3573 0.6057 ( 1236 PWs) bands (ev): -69.8526 -69.8526 -38.7033 -38.7033 -34.4269 -34.4269 -34.0061 -34.0061 -4.1615 -4.1615 7.4432 7.4432 8.2791 8.2791 8.9411 8.9411 12.5306 12.5306 12.9752 12.9752 13.8356 13.8356 13.9799 13.9799 16.0933 16.0933 22.1223 22.1223 23.4817 23.4817 24.3577 24.3577 k =-0.2846 0.3632 0.5981 ( 1238 PWs) bands (ev): -69.8527 -69.8527 -38.7030 -38.7030 -34.4263 -34.4263 -34.0060 -34.0060 -4.1596 -4.1596 7.4314 7.4314 8.2618 8.2618 8.9309 8.9309 12.5154 12.5154 12.9834 12.9834 13.8460 13.8460 13.9958 13.9958 16.1351 16.1351 22.0924 22.0924 23.4851 23.4851 24.3142 24.3142 k =-0.2893 0.3692 0.5905 ( 1236 PWs) bands (ev): -69.8528 -69.8528 -38.7027 -38.7027 -34.4257 -34.4257 -34.0059 -34.0059 -4.1578 -4.1578 7.4209 7.4209 8.2462 8.2462 8.9218 8.9218 12.5016 12.5016 12.9911 12.9911 13.8553 13.8553 14.0100 14.0100 16.1736 16.1736 22.0655 22.0655 23.4877 23.4877 24.2738 24.2738 k =-0.2939 0.3752 0.5829 ( 1234 PWs) bands (ev): -69.8528 -69.8528 -38.7024 -38.7024 -34.4251 -34.4251 -34.0058 -34.0058 -4.1563 -4.1563 7.4117 7.4117 8.2323 8.2323 8.9138 8.9138 12.4892 12.4892 12.9981 12.9981 13.8634 13.8634 14.0226 14.0226 16.2085 16.2085 22.0417 22.0417 23.4898 23.4898 24.2370 24.2370 k =-0.2986 0.3812 0.5753 ( 1234 PWs) bands (ev): -69.8529 -69.8529 -38.7022 -38.7022 -34.4247 -34.4247 -34.0058 -34.0058 -4.1549 -4.1549 7.4037 7.4037 8.2201 8.2201 8.9068 8.9068 12.4783 12.4783 13.0044 13.0044 13.8705 13.8705 14.0335 14.0335 16.2394 16.2394 22.0209 22.0209 23.4912 23.4912 24.2044 24.2044 k =-0.3033 0.3871 0.5678 ( 1236 PWs) bands (ev): -69.8529 -69.8529 -38.7020 -38.7020 -34.4243 -34.4243 -34.0057 -34.0057 -4.1538 -4.1538 7.3969 7.3969 8.2097 8.2097 8.9009 8.9009 12.4689 12.4689 13.0099 13.0099 13.8764 13.8764 14.0426 14.0426 16.2661 16.2661 22.0034 22.0034 23.4922 23.4922 24.1763 24.1763 k =-0.3080 0.3931 0.5602 ( 1238 PWs) bands (ev): -69.8530 -69.8530 -38.7018 -38.7018 -34.4240 -34.4240 -34.0056 -34.0056 -4.1529 -4.1529 7.3914 7.3914 8.2011 8.2011 8.8960 8.8960 12.4612 12.4612 13.0143 13.0143 13.8812 13.8812 14.0501 14.0501 16.2884 16.2884 21.9889 21.9889 23.4928 23.4928 24.1530 24.1530 k =-0.3127 0.3991 0.5526 ( 1238 PWs) bands (ev): -69.8530 -69.8530 -38.7017 -38.7017 -34.4237 -34.4237 -34.0056 -34.0056 -4.1521 -4.1521 7.3871 7.3871 8.1944 8.1944 8.8922 8.8922 12.4551 12.4551 13.0179 13.0179 13.8850 13.8850 14.0559 14.0559 16.3059 16.3059 21.9777 21.9777 23.4931 23.4931 24.1346 24.1346 k =-0.3174 0.4051 0.5450 ( 1237 PWs) bands (ev): -69.8531 -69.8531 -38.7016 -38.7016 -34.4235 -34.4235 -34.0056 -34.0056 -4.1516 -4.1516 7.3840 7.3840 8.1896 8.1896 8.8895 8.8895 12.4507 12.4507 13.0205 13.0205 13.8877 13.8877 14.0601 14.0601 16.3185 16.3185 21.9696 21.9696 23.4932 23.4932 24.1215 24.1215 k =-0.3220 0.4111 0.5374 ( 1235 PWs) bands (ev): -69.8531 -69.8531 -38.7016 -38.7016 -34.4234 -34.4234 -34.0055 -34.0055 -4.1513 -4.1513 7.3822 7.3822 8.1867 8.1867 8.8878 8.8878 12.4481 12.4481 13.0221 13.0221 13.8893 13.8893 14.0627 14.0627 16.3262 16.3262 21.9648 21.9648 23.4933 23.4933 24.1135 24.1135 k =-0.3267 0.4170 0.5298 ( 1235 PWs) bands (ev): -69.8531 -69.8531 -38.7016 -38.7016 -34.4234 -34.4234 -34.0055 -34.0055 -4.1512 -4.1512 7.3816 7.3816 8.1858 8.1858 8.8873 8.8873 12.4473 12.4473 13.0226 13.0226 13.8899 13.8899 14.0635 14.0635 16.3287 16.3287 21.9632 21.9632 23.4933 23.4933 24.1109 24.1109 k =-0.3267 0.4170 0.5298 ( 1235 PWs) bands (ev): -69.8531 -69.8531 -38.7016 -38.7016 -34.4234 -34.4234 -34.0055 -34.0055 -4.1512 -4.1512 7.3816 7.3816 8.1858 8.1858 8.8873 8.8873 12.4473 12.4473 13.0226 13.0226 13.8899 13.8899 14.0635 14.0635 16.3287 16.3287 21.9632 21.9632 23.4933 23.4933 24.1109 24.1109 k =-0.3220 0.4110 0.5221 ( 1239 PWs) bands (ev): -69.8530 -69.8530 -38.7020 -38.7020 -34.4246 -34.4246 -34.0052 -34.0052 -4.1369 -4.1369 7.3215 7.3215 8.1432 8.1432 8.8929 8.8929 12.4908 12.4908 13.0154 13.0154 13.8943 13.8943 14.0804 14.0804 16.4182 16.4182 21.9994 21.9994 23.4557 23.4557 24.0944 24.0944 k =-0.3172 0.4050 0.5144 ( 1243 PWs) bands (ev): -69.8529 -69.8529 -38.7024 -38.7024 -34.4257 -34.4257 -34.0048 -34.0048 -4.1235 -4.1235 7.2648 7.2648 8.1034 8.1034 8.8996 8.8996 12.5312 12.5312 13.0079 13.0079 13.8969 13.8969 14.0977 14.0977 16.5033 16.5033 22.0381 22.0381 23.3638 23.3638 24.1354 24.1354 k =-0.3125 0.3989 0.5067 ( 1243 PWs) bands (ev): -69.8528 -69.8528 -38.7028 -38.7028 -34.4267 -34.4267 -34.0044 -34.0044 -4.1110 -4.1110 7.2118 7.2118 8.0662 8.0662 8.9074 8.9074 12.5682 12.5682 13.0003 13.0003 13.8978 13.8978 14.1146 14.1146 16.5838 16.5838 22.0794 22.0794 23.2410 23.2410 24.2109 24.2109 k =-0.3078 0.3929 0.4991 ( 1239 PWs) bands (ev): -69.8527 -69.8527 -38.7031 -38.7031 -34.4277 -34.4277 -34.0040 -34.0040 -4.0997 -4.0997 7.1627 7.1627 8.0319 8.0319 8.9165 8.9165 12.6016 12.6016 12.9927 12.9927 13.8974 13.8974 14.1308 14.1308 16.6597 16.6597 22.1235 22.1235 23.1040 23.1040 24.3041 24.3041 k =-0.3030 0.3868 0.4914 ( 1241 PWs) bands (ev): -69.8526 -69.8526 -38.7034 -38.7034 -34.4286 -34.4286 -34.0036 -34.0036 -4.0895 -4.0895 7.1173 7.1173 8.0003 8.0003 8.9266 8.9266 12.6305 12.6305 12.9851 12.9851 13.8957 13.8957 14.1461 14.1461 16.7305 16.7305 22.1701 22.1701 22.9611 22.9611 24.4072 24.4072 k =-0.2983 0.3808 0.4837 ( 1241 PWs) bands (ev): -69.8525 -69.8525 -38.7037 -38.7037 -34.4294 -34.4294 -34.0031 -34.0031 -4.0804 -4.0804 7.0759 7.0759 7.9714 7.9714 8.9380 8.9380 12.6555 12.6555 12.9775 12.9775 13.8928 13.8928 14.1603 14.1603 16.7960 16.7960 22.2193 22.2193 22.8165 22.8165 24.5162 24.5162 k =-0.2936 0.3747 0.4760 ( 1243 PWs) bands (ev): -69.8525 -69.8525 -38.7039 -38.7039 -34.4302 -34.4302 -34.0027 -34.0027 -4.0726 -4.0726 7.0384 7.0384 7.9453 7.9453 8.9507 8.9507 12.6761 12.6761 12.9700 12.9700 13.8887 13.8887 14.1732 14.1732 16.8561 16.8561 22.2701 22.2701 22.6730 22.6730 24.6294 24.6294 k =-0.2888 0.3687 0.4684 ( 1247 PWs) bands (ev): -69.8524 -69.8524 -38.7041 -38.7041 -34.4308 -34.4308 -34.0023 -34.0023 -4.0662 -4.0662 7.0051 7.0051 7.9219 7.9219 8.9646 8.9646 12.6922 12.6922 12.9626 12.9626 13.8835 13.8835 14.1847 14.1847 16.9106 16.9106 22.3189 22.3189 22.5357 22.5357 24.7460 24.7460 k =-0.2841 0.3626 0.4607 ( 1247 PWs) bands (ev): -69.8524 -69.8524 -38.7043 -38.7043 -34.4314 -34.4314 -34.0018 -34.0018 -4.0611 -4.0611 6.9761 6.9761 7.9014 7.9014 8.9797 8.9797 12.7039 12.7039 12.9553 12.9553 13.8771 13.8771 14.1946 14.1946 16.9594 16.9594 22.3271 22.3271 22.4437 22.4437 24.8654 24.8654 k =-0.2794 0.3566 0.4530 ( 1247 PWs) bands (ev): -69.8523 -69.8523 -38.7044 -38.7044 -34.4319 -34.4319 -34.0013 -34.0013 -4.0574 -4.0574 6.9513 6.9513 7.8838 7.8838 8.9962 8.9962 12.7112 12.7112 12.9482 12.9482 13.8691 13.8691 14.2030 14.2030 17.0021 17.0021 22.2195 22.2195 22.4728 22.4728 24.9874 24.9874 k =-0.2746 0.3506 0.4453 ( 1243 PWs) bands (ev): -69.8523 -69.8523 -38.7044 -38.7044 -34.4323 -34.4323 -34.0009 -34.0009 -4.0551 -4.0551 6.9309 6.9309 7.8690 7.8690 9.0140 9.0140 12.7146 12.7146 12.9409 12.9409 13.8598 13.8598 14.2096 14.2096 17.0389 17.0389 22.0857 22.0857 22.5335 22.5335 25.1121 25.1121 k =-0.2699 0.3445 0.4376 ( 1243 PWs) bands (ev): -69.8523 -69.8523 -38.7044 -38.7044 -34.4326 -34.4326 -34.0004 -34.0004 -4.0543 -4.0543 6.9149 6.9149 7.8570 7.8570 9.0331 9.0331 12.7139 12.7139 12.9334 12.9334 13.8487 13.8487 14.2143 14.2143 17.0695 17.0695 21.9503 21.9503 22.6016 22.6016 25.2394 25.2394 k =-0.2652 0.3385 0.4300 ( 1243 PWs) bands (ev): -69.8523 -69.8523 -38.7044 -38.7044 -34.4328 -34.4328 -33.9999 -33.9999 -4.0549 -4.0549 6.9034 6.9034 7.8479 7.8479 9.0536 9.0536 12.7096 12.7096 12.9255 12.9255 13.8356 13.8356 14.2170 14.2170 17.0938 17.0938 21.8159 21.8159 22.6744 22.6744 25.3693 25.3693 k =-0.2604 0.3324 0.4223 ( 1245 PWs) bands (ev): -69.8523 -69.8523 -38.7044 -38.7044 -34.4329 -34.4329 -33.9994 -33.9994 -4.0571 -4.0571 6.8962 6.8962 7.8416 7.8416 9.0754 9.0754 12.7022 12.7022 12.9169 12.9169 13.8204 13.8204 14.2179 14.2179 17.1118 17.1118 21.6832 21.6832 22.7514 22.7514 25.5020 25.5020 k =-0.2557 0.3264 0.4146 ( 1249 PWs) bands (ev): -69.8523 -69.8523 -38.7043 -38.7043 -34.4330 -34.4330 -33.9989 -33.9989 -4.0608 -4.0608 6.8935 6.8935 7.8382 7.8382 9.0985 9.0985 12.6919 12.6919 12.9075 12.9075 13.8029 13.8029 14.2168 14.2168 17.1231 17.1231 21.5525 21.5525 22.8322 22.8322 25.6378 25.6378 k =-0.2510 0.3203 0.4069 ( 1253 PWs) bands (ev): -69.8524 -69.8524 -38.7041 -38.7041 -34.4329 -34.4329 -33.9984 -33.9984 -4.0660 -4.0660 6.8954 6.8954 7.8376 7.8376 9.1229 9.1229 12.6791 12.6791 12.8973 12.8973 13.7828 13.7828 14.2137 14.2137 17.1282 17.1282 21.4238 21.4238 22.9168 22.9168 25.7766 25.7766 k =-0.2462 0.3143 0.3993 ( 1253 PWs) bands (ev): -69.8524 -69.8524 -38.7039 -38.7039 -34.4327 -34.4327 -33.9979 -33.9979 -4.0727 -4.0727 6.9017 6.9017 7.8401 7.8401 9.1488 9.1488 12.6641 12.6641 12.8862 12.8862 13.7601 13.7601 14.2087 14.2087 17.1268 17.1268 21.2969 21.2969 23.0054 23.0054 25.9187 25.9187 k =-0.2415 0.3082 0.3916 ( 1249 PWs) bands (ev): -69.8525 -69.8525 -38.7037 -38.7037 -34.4325 -34.4325 -33.9974 -33.9974 -4.0809 -4.0809 6.9127 6.9127 7.8453 7.8453 9.1762 9.1762 12.6473 12.6473 12.8742 12.8742 13.7347 13.7347 14.2016 14.2016 17.1189 17.1189 21.1720 21.1720 23.0977 23.0977 26.0643 26.0643 k =-0.2368 0.3022 0.3839 ( 1249 PWs) bands (ev): -69.8525 -69.8525 -38.7034 -38.7034 -34.4321 -34.4321 -33.9969 -33.9969 -4.0906 -4.0906 6.9281 6.9281 7.8533 7.8533 9.2049 9.2049 12.6286 12.6286 12.8613 12.8613 13.7064 13.7064 14.1926 14.1926 17.1046 17.1046 21.0487 21.0487 23.1939 23.1939 26.2134 26.2134 k =-0.2320 0.2962 0.3762 ( 1249 PWs) bands (ev): -69.8526 -69.8526 -38.7030 -38.7030 -34.4316 -34.4316 -33.9963 -33.9963 -4.1018 -4.1018 6.9479 6.9479 7.8642 7.8642 9.2349 9.2349 12.6083 12.6083 12.8475 12.8475 13.6751 13.6751 14.1815 14.1815 17.0839 17.0839 20.9270 20.9270 23.2939 23.2939 26.3663 26.3663 k =-0.2273 0.2901 0.3685 ( 1249 PWs) bands (ev): -69.8527 -69.8527 -38.7027 -38.7027 -34.4311 -34.4311 -33.9958 -33.9958 -4.1143 -4.1143 6.9722 6.9722 7.8779 7.8779 9.2663 9.2663 12.5865 12.5865 12.8330 12.8330 13.6410 13.6410 14.1685 14.1685 17.0569 17.0569 20.8067 20.8067 23.3976 23.3976 26.5230 26.5230 k =-0.2225 0.2841 0.3609 ( 1245 PWs) bands (ev): -69.8528 -69.8528 -38.7022 -38.7022 -34.4304 -34.4304 -33.9953 -33.9953 -4.1282 -4.1282 7.0009 7.0009 7.8945 7.8945 9.2992 9.2992 12.5633 12.5633 12.8178 12.8178 13.6039 13.6039 14.1537 14.1537 17.0237 17.0237 20.6876 20.6876 23.5052 23.5052 26.6837 26.6837 k =-0.2178 0.2780 0.3532 ( 1249 PWs) bands (ev): -69.8529 -69.8529 -38.7018 -38.7018 -34.4297 -34.4297 -33.9947 -33.9947 -4.1434 -4.1434 7.0338 7.0338 7.9138 7.9138 9.3333 9.3333 12.5387 12.5387 12.8020 12.8020 13.5640 13.5640 14.1368 14.1368 16.9843 16.9843 20.5695 20.5695 23.6165 23.6165 26.8483 26.8483 k =-0.2131 0.2720 0.3455 ( 1237 PWs) bands (ev): -69.8530 -69.8530 -38.7013 -38.7013 -34.4289 -34.4289 -33.9942 -33.9942 -4.1599 -4.1599 7.0711 7.0711 7.9361 7.9361 9.3688 9.3688 12.5133 12.5133 12.7859 12.7859 13.5215 13.5215 14.1184 14.1184 16.9392 16.9392 20.4523 20.4523 23.7316 23.7316 27.0170 27.0170 k =-0.2083 0.2659 0.3378 ( 1237 PWs) bands (ev): -69.8531 -69.8531 -38.7007 -38.7007 -34.4280 -34.4280 -33.9937 -33.9937 -4.1776 -4.1776 7.1125 7.1125 7.9612 7.9612 9.4056 9.4056 12.4865 12.4865 12.7690 12.7690 13.4763 13.4763 14.0979 14.0979 16.8880 16.8880 20.3357 20.3357 23.8503 23.8503 27.1898 27.1898 k =-0.2036 0.2599 0.3302 ( 1237 PWs) bands (ev): -69.8533 -69.8533 -38.7002 -38.7002 -34.4270 -34.4270 -33.9931 -33.9931 -4.1965 -4.1965 7.1580 7.1580 7.9892 7.9892 9.4437 9.4437 12.4586 12.4586 12.7517 12.7517 13.4288 13.4288 14.0757 14.0757 16.8312 16.8312 20.2196 20.2196 23.9728 23.9728 27.3667 27.3667 k =-0.1989 0.2539 0.3225 ( 1237 PWs) bands (ev): -69.8534 -69.8534 -38.6996 -38.6996 -34.4259 -34.4259 -33.9926 -33.9926 -4.2165 -4.2165 7.2076 7.2076 8.0199 8.0199 9.4831 9.4831 12.4298 12.4298 12.7340 12.7340 13.3791 13.3791 14.0517 14.0517 16.7689 16.7689 20.1037 20.1037 24.0989 24.0989 27.5477 27.5477 k =-0.1941 0.2478 0.3148 ( 1227 PWs) bands (ev): -69.8535 -69.8535 -38.6989 -38.6989 -34.4248 -34.4248 -33.9920 -33.9920 -4.2374 -4.2374 7.2612 7.2612 8.0538 8.0538 9.5239 9.5239 12.4003 12.4003 12.7159 12.7159 13.3275 13.3275 14.0262 14.0262 16.7014 16.7014 19.9881 19.9881 24.2286 24.2286 27.7327 27.7327 k =-0.1894 0.2418 0.3071 ( 1227 PWs) bands (ev): -69.8537 -69.8537 -38.6982 -38.6982 -34.4236 -34.4236 -33.9915 -33.9915 -4.2593 -4.2593 7.3185 7.3185 8.0901 8.0901 9.5658 9.5658 12.3699 12.3699 12.6974 12.6974 13.2742 13.2742 13.9989 13.9989 16.6286 16.6286 19.8723 19.8723 24.3619 24.3619 27.9218 27.9218 k =-0.1847 0.2357 0.2994 ( 1231 PWs) bands (ev): -69.8539 -69.8539 -38.6975 -38.6975 -34.4223 -34.4223 -33.9910 -33.9910 -4.2821 -4.2821 7.3796 7.3796 8.1292 8.1292 9.6089 9.6089 12.3387 12.3387 12.6783 12.6783 13.2196 13.2196 13.9701 13.9701 16.5508 16.5508 19.7565 19.7565 24.4986 24.4986 28.1147 28.1147 k =-0.1799 0.2297 0.2918 ( 1231 PWs) bands (ev): -69.8541 -69.8541 -38.6968 -38.6968 -34.4210 -34.4210 -33.9904 -33.9904 -4.3056 -4.3056 7.4442 7.4442 8.1711 8.1711 9.6533 9.6533 12.3069 12.3069 12.6588 12.6588 13.1640 13.1640 13.9398 13.9398 16.4685 16.4685 19.6403 19.6403 24.6388 24.6388 28.3114 28.3114 k =-0.1752 0.2236 0.2841 ( 1235 PWs) bands (ev): -69.8543 -69.8543 -38.6961 -38.6961 -34.4196 -34.4196 -33.9899 -33.9899 -4.3299 -4.3299 7.5124 7.5124 8.2155 8.2155 9.6988 9.6988 12.2744 12.2744 12.6387 12.6387 13.1079 13.1079 13.9080 13.9080 16.3816 16.3816 19.5237 19.5237 24.7823 24.7823 28.5118 28.5118 k =-0.1705 0.2176 0.2764 ( 1235 PWs) bands (ev): -69.8545 -69.8545 -38.6953 -38.6953 -34.4181 -34.4181 -33.9893 -33.9893 -4.3547 -4.3547 7.5839 7.5839 8.2629 8.2629 9.7455 9.7455 12.2415 12.2415 12.6178 12.6178 13.0516 13.0516 13.8749 13.8749 16.2905 16.2905 19.4067 19.4067 24.9292 24.9292 28.7157 28.7157 k =-0.1657 0.2115 0.2687 ( 1239 PWs) bands (ev): -69.8547 -69.8547 -38.6945 -38.6945 -34.4167 -34.4167 -33.9888 -33.9888 -4.3801 -4.3801 7.6586 7.6586 8.3127 8.3127 9.7933 9.7933 12.2080 12.2080 12.5960 12.5960 12.9957 12.9957 13.8404 13.8404 16.1954 16.1954 19.2892 19.2892 25.0793 25.0793 28.9228 28.9228 k =-0.1610 0.2055 0.2611 ( 1243 PWs) bands (ev): -69.8549 -69.8549 -38.6937 -38.6937 -34.4151 -34.4151 -33.9883 -33.9883 -4.4059 -4.4059 7.7364 7.7364 8.3654 8.3654 9.8421 9.8421 12.1741 12.1741 12.5729 12.5729 12.9407 12.9407 13.8044 13.8044 16.0964 16.0964 19.1710 19.1710 25.2325 25.2325 29.1332 29.1332 k =-0.1563 0.1995 0.2534 ( 1241 PWs) bands (ev): -69.8551 -69.8551 -38.6928 -38.6928 -34.4136 -34.4136 -33.9877 -33.9877 -4.4320 -4.4320 7.8173 7.8173 8.4207 8.4207 9.8921 9.8921 12.1398 12.1398 12.5482 12.5482 12.8873 12.8873 13.7674 13.7674 15.9939 15.9939 19.0523 19.0523 25.3888 25.3888 29.3464 29.3464 k =-0.1515 0.1934 0.2457 ( 1233 PWs) bands (ev): -69.8553 -69.8553 -38.6920 -38.6920 -34.4119 -34.4119 -33.9872 -33.9872 -4.4584 -4.4584 7.9010 7.9010 8.4788 8.4788 9.9432 9.9432 12.1052 12.1052 12.5216 12.5216 12.8363 12.8363 13.7294 13.7294 15.8882 15.8882 18.9330 18.9330 25.5481 25.5481 29.5624 29.5624 k =-0.1468 0.1874 0.2380 ( 1233 PWs) bands (ev): -69.8555 -69.8555 -38.6911 -38.6911 -34.4103 -34.4103 -33.9866 -33.9866 -4.4850 -4.4850 7.9873 7.9873 8.5394 8.5394 9.9951 9.9951 12.0700 12.0700 12.4925 12.4925 12.7883 12.7883 13.6900 13.6900 15.7791 15.7791 18.8130 18.8130 25.7103 25.7103 29.7807 29.7807 k =-0.1421 0.1813 0.2303 ( 1233 PWs) bands (ev): -69.8557 -69.8557 -38.6902 -38.6902 -34.4087 -34.4087 -33.9861 -33.9861 -4.5117 -4.5117 8.0761 8.0761 8.6026 8.6026 10.0479 10.0479 12.0345 12.0345 12.4605 12.4605 12.7440 12.7440 13.6496 13.6496 15.6672 15.6672 18.6925 18.6925 25.8752 25.8752 30.0011 30.0011 k =-0.1373 0.1753 0.2227 ( 1229 PWs) bands (ev): -69.8559 -69.8559 -38.6894 -38.6894 -34.4070 -34.4070 -33.9856 -33.9856 -4.5384 -4.5384 8.1672 8.1672 8.6684 8.6684 10.1016 10.1016 11.9988 11.9988 12.4256 12.4256 12.7040 12.7040 13.6081 13.6081 15.5526 15.5526 18.5716 18.5716 26.0427 26.0427 30.2234 30.2234 k =-0.1326 0.1692 0.2150 ( 1229 PWs) bands (ev): -69.8561 -69.8561 -38.6885 -38.6885 -34.4053 -34.4053 -33.9850 -33.9850 -4.5650 -4.5650 8.2604 8.2604 8.7367 8.7367 10.1561 10.1561 11.9625 11.9625 12.3877 12.3877 12.6682 12.6682 13.5657 13.5657 15.4355 15.4355 18.4502 18.4502 26.2128 26.2128 30.4469 30.4469 k =-0.1278 0.1632 0.2073 ( 1227 PWs) bands (ev): -69.8564 -69.8564 -38.6876 -38.6876 -34.4036 -34.4036 -33.9845 -33.9845 -4.5915 -4.5915 8.3556 8.3556 8.8075 8.8075 10.2113 10.2113 11.9258 11.9258 12.3473 12.3473 12.6366 12.6366 13.5223 13.5223 15.3161 15.3161 18.3285 18.3285 26.3852 26.3852 30.6713 30.6713 k =-0.1231 0.1571 0.1996 ( 1227 PWs) bands (ev): -69.8566 -69.8566 -38.6867 -38.6867 -34.4019 -34.4019 -33.9840 -33.9840 -4.6177 -4.6177 8.4526 8.4526 8.8807 8.8807 10.2673 10.2673 11.8887 11.8887 12.3052 12.3052 12.6087 12.6087 13.4780 13.4780 15.1947 15.1947 18.2066 18.2066 26.5598 26.5598 30.8960 30.8960 k =-0.1184 0.1511 0.1919 ( 1225 PWs) bands (ev): -69.8568 -69.8568 -38.6859 -38.6859 -34.4003 -34.4003 -33.9835 -33.9835 -4.6437 -4.6437 8.5512 8.5512 8.9562 8.9562 10.3241 10.3241 11.8512 11.8512 12.2621 12.2621 12.5840 12.5840 13.4328 13.4328 15.0714 15.0714 18.0847 18.0847 26.7364 26.7364 31.1202 31.1202 k =-0.1136 0.1451 0.1843 ( 1233 PWs) bands (ev): -69.8570 -69.8570 -38.6850 -38.6850 -34.3986 -34.3986 -33.9830 -33.9830 -4.6692 -4.6692 8.6511 8.6511 9.0341 9.0341 10.3812 10.3812 11.8131 11.8131 12.2187 12.2187 12.5617 12.5617 13.3867 13.3867 14.9464 14.9464 17.9629 17.9629 26.9147 26.9147 31.3422 31.3422 k =-0.1089 0.1390 0.1766 ( 1233 PWs) bands (ev): -69.8573 -69.8573 -38.6842 -38.6842 -34.3970 -34.3970 -33.9825 -33.9825 -4.6943 -4.6943 8.7521 8.7521 9.1144 9.1144 10.4390 10.4390 11.7749 11.7749 12.1757 12.1757 12.5417 12.5417 13.3400 13.3400 14.8201 14.8201 17.8415 17.8415 27.0945 27.0945 31.5592 31.5592 k =-0.1042 0.1330 0.1689 ( 1235 PWs) bands (ev): -69.8575 -69.8575 -38.6834 -38.6834 -34.3954 -34.3954 -33.9820 -33.9820 -4.7189 -4.7189 8.8539 8.8539 9.1969 9.1969 10.4971 10.4971 11.7363 11.7363 12.1336 12.1336 12.5235 12.5235 13.2926 13.2926 14.6925 14.6925 17.7206 17.7206 27.2755 27.2755 31.7595 31.7595 k =-0.0994 0.1269 0.1612 ( 1235 PWs) bands (ev): -69.8577 -69.8577 -38.6825 -38.6825 -34.3938 -34.3938 -33.9815 -33.9815 -4.7428 -4.7428 8.9565 8.9565 9.2815 9.2815 10.5557 10.5557 11.6977 11.6977 12.0928 12.0928 12.5066 12.5066 13.2446 13.2446 14.5640 14.5640 17.6005 17.6005 27.4573 27.4573 31.8903 31.8903 k =-0.0947 0.1209 0.1536 ( 1233 PWs) bands (ev): -69.8579 -69.8579 -38.6817 -38.6817 -34.3922 -34.3922 -33.9811 -33.9811 -4.7661 -4.7661 9.0595 9.0595 9.3683 9.3683 10.6147 10.6147 11.6590 11.6590 12.0534 12.0534 12.4909 12.4909 13.1959 13.1959 14.4346 14.4346 17.4815 17.4815 27.6395 27.6395 31.8770 31.8770 k =-0.0900 0.1148 0.1459 ( 1231 PWs) bands (ev): -69.8581 -69.8581 -38.6810 -38.6810 -34.3907 -34.3907 -33.9806 -33.9806 -4.7887 -4.7887 9.1626 9.1626 9.4571 9.4571 10.6738 10.6738 11.6206 11.6206 12.0157 12.0157 12.4763 12.4763 13.1467 13.1467 14.3047 14.3047 17.3638 17.3638 27.8216 27.8216 31.8049 31.8049 k =-0.0852 0.1088 0.1382 ( 1239 PWs) bands (ev): -69.8583 -69.8583 -38.6802 -38.6802 -34.3893 -34.3893 -33.9802 -33.9802 -4.8104 -4.8104 9.2654 9.2654 9.5477 9.5477 10.7328 10.7328 11.5821 11.5821 11.9797 11.9797 12.4626 12.4626 13.0969 13.0969 14.1743 14.1743 17.2478 17.2478 28.0029 28.0029 31.7253 31.7253 k =-0.0805 0.1027 0.1305 ( 1239 PWs) bands (ev): -69.8585 -69.8585 -38.6795 -38.6795 -34.3879 -34.3879 -33.9798 -33.9798 -4.8314 -4.8314 9.3679 9.3679 9.6403 9.6403 10.7920 10.7920 11.5443 11.5443 11.9454 11.9454 12.4497 12.4497 13.0468 13.0468 14.0439 14.0439 17.1339 17.1339 28.1827 28.1827 31.6493 31.6493 k =-0.0758 0.0967 0.1228 ( 1235 PWs) bands (ev): -69.8586 -69.8586 -38.6788 -38.6788 -34.3865 -34.3865 -33.9793 -33.9793 -4.8514 -4.8514 9.4696 9.4696 9.7346 9.7346 10.8511 10.8511 11.5072 11.5072 11.9129 11.9129 12.4377 12.4377 12.9963 12.9963 13.9138 13.9138 17.0223 17.0223 28.3599 28.3599 31.5804 31.5804 k =-0.0710 0.0907 0.1152 ( 1235 PWs) bands (ev): -69.8588 -69.8588 -38.6781 -38.6781 -34.3852 -34.3852 -33.9790 -33.9790 -4.8705 -4.8705 9.5701 9.5701 9.8304 9.8304 10.9098 10.9098 11.4710 11.4710 11.8820 11.8820 12.4262 12.4262 12.9456 12.9456 13.7839 13.7839 16.9136 16.9136 28.5335 28.5335 31.5206 31.5206 k =-0.0663 0.0846 0.1075 ( 1233 PWs) bands (ev): -69.8590 -69.8590 -38.6775 -38.6775 -34.3840 -34.3840 -33.9786 -33.9786 -4.8885 -4.8885 9.6692 9.6692 9.9276 9.9276 10.9680 10.9680 11.4360 11.4360 11.8527 11.8527 12.4153 12.4153 12.8946 12.8946 13.6547 13.6547 16.8081 16.8081 28.7019 28.7019 31.4716 31.4716 k =-0.0616 0.0786 0.0998 ( 1233 PWs) bands (ev): -69.8591 -69.8591 -38.6769 -38.6769 -34.3828 -34.3828 -33.9782 -33.9782 -4.9055 -4.9055 9.7664 9.7664 10.0260 10.0260 11.0252 11.0252 11.4024 11.4024 11.8249 11.8249 12.4050 12.4050 12.8436 12.8436 13.5265 13.5265 16.7064 16.7064 28.8635 28.8635 31.4352 31.4352 k =-0.0568 0.0725 0.0921 ( 1229 PWs) bands (ev): -69.8593 -69.8593 -38.6763 -38.6763 -34.3817 -34.3817 -33.9779 -33.9779 -4.9215 -4.9215 9.8613 9.8613 10.1252 10.1252 11.0810 11.0810 11.3709 11.3709 11.7987 11.7987 12.3951 12.3951 12.7925 12.7925 13.4001 13.4001 16.6089 16.6089 29.0163 29.0163 31.4130 31.4130 k =-0.0521 0.0665 0.0845 ( 1229 PWs) bands (ev): -69.8594 -69.8594 -38.6758 -38.6758 -34.3807 -34.3807 -33.9776 -33.9776 -4.9363 -4.9363 9.9534 9.9534 10.2251 10.2251 11.1340 11.1340 11.3426 11.3426 11.7739 11.7739 12.3856 12.3856 12.7416 12.7416 13.2755 13.2755 16.5162 16.5162 29.1581 29.1581 31.4068 31.4068 k =-0.0474 0.0604 0.0768 ( 1231 PWs) bands (ev): -69.8595 -69.8595 -38.6753 -38.6753 -34.3797 -34.3797 -33.9773 -33.9773 -4.9499 -4.9499 10.0422 10.0422 10.3251 10.3251 11.1806 11.1806 11.3206 11.3206 11.7505 11.7505 12.3763 12.3763 12.6907 12.6907 13.1536 13.1536 16.4288 16.4288 29.2866 29.2866 31.4181 31.4181 k =-0.0426 0.0544 0.0691 ( 1231 PWs) bands (ev): -69.8596 -69.8596 -38.6749 -38.6749 -34.3789 -34.3789 -33.9770 -33.9770 -4.9624 -4.9624 10.1271 10.1271 10.4248 10.4248 11.2104 11.2104 11.3155 11.3155 11.7285 11.7285 12.3672 12.3672 12.6400 12.6400 13.0356 13.0356 16.3473 16.3473 29.3998 29.3998 31.4481 31.4481 k =-0.0379 0.0484 0.0614 ( 1231 PWs) bands (ev): -69.8598 -69.8598 -38.6745 -38.6745 -34.3781 -34.3781 -33.9768 -33.9768 -4.9736 -4.9736 10.2077 10.2077 10.5235 10.5235 11.2112 11.2112 11.3391 11.3391 11.7081 11.7081 12.3580 12.3580 12.5891 12.5891 12.9230 12.9230 16.2723 16.2723 29.4965 29.4965 31.4969 31.4969 k =-0.0331 0.0423 0.0537 ( 1231 PWs) bands (ev): -69.8598 -69.8598 -38.6741 -38.6741 -34.3774 -34.3774 -33.9766 -33.9766 -4.9835 -4.9835 10.2831 10.2831 10.6203 10.6203 11.1950 11.1950 11.3788 11.3788 11.6892 11.6892 12.3484 12.3484 12.5375 12.5375 12.8180 12.8180 16.2044 16.2044 29.5763 29.5763 31.5631 31.5631 k =-0.0284 0.0363 0.0461 ( 1231 PWs) bands (ev): -69.8599 -69.8599 -38.6738 -38.6738 -34.3768 -34.3768 -33.9764 -33.9764 -4.9922 -4.9922 10.3525 10.3525 10.7138 10.7138 11.1744 11.1744 11.4218 11.4218 11.6719 11.6719 12.3383 12.3383 12.4839 12.4839 12.7241 12.7241 16.1441 16.1441 29.6398 29.6398 31.6438 31.6438 k =-0.0237 0.0302 0.0384 ( 1227 PWs) bands (ev): -69.8600 -69.8600 -38.6735 -38.6735 -34.3763 -34.3763 -33.9762 -33.9762 -4.9996 -4.9996 10.4151 10.4151 10.8023 10.8023 11.1537 11.1537 11.4634 11.4634 11.6565 11.6565 12.3271 12.3271 12.4273 12.4273 12.6457 12.6457 16.0920 16.0920 29.6886 29.6886 31.7340 31.7340 k =-0.0189 0.0242 0.0307 ( 1227 PWs) bands (ev): -69.8600 -69.8600 -38.6733 -38.6733 -34.3758 -34.3758 -33.9761 -33.9761 -5.0056 -5.0056 10.4696 10.4696 10.8830 10.8830 11.1348 11.1348 11.5014 11.5014 11.6428 11.6428 12.3137 12.3137 12.3688 12.3688 12.5856 12.5856 16.0485 16.0485 29.7247 29.7247 31.8273 31.8273 k =-0.0142 0.0181 0.0230 ( 1229 PWs) bands (ev): -69.8601 -69.8601 -38.6731 -38.6731 -34.3755 -34.3755 -33.9760 -33.9760 -5.0104 -5.0104 10.5146 10.5146 10.9518 10.9518 11.1196 11.1196 11.5345 11.5345 11.6309 11.6309 12.2900 12.2900 12.3219 12.3219 12.5435 12.5435 16.0143 16.0143 29.7502 29.7502 31.9155 31.9155 k =-0.0095 0.0121 0.0154 ( 1225 PWs) bands (ev): -69.8601 -69.8601 -38.6730 -38.6730 -34.3753 -34.3753 -33.9759 -33.9759 -5.0138 -5.0138 10.5488 10.5488 11.0030 11.0030 11.1109 11.1109 11.5616 11.5616 11.6204 11.6204 12.2480 12.2480 12.3033 12.3033 12.5167 12.5167 15.9895 15.9895 29.7670 29.7670 31.9892 31.9892 k =-0.0047 0.0060 0.0077 ( 1225 PWs) bands (ev): -69.8601 -69.8601 -38.6729 -38.6729 -34.3751 -34.3751 -33.9759 -33.9759 -5.0158 -5.0158 10.5701 10.5701 11.0311 11.0311 11.1103 11.1103 11.5822 11.5822 11.6105 11.6105 12.2150 12.2150 12.2950 12.2950 12.5018 12.5018 15.9746 15.9746 29.7765 29.7765 32.0387 32.0387 k = 0.0000 0.0000 0.0000 ( 1225 PWs) bands (ev): -69.8601 -69.8601 -38.6729 -38.6729 -34.3751 -34.3751 -33.9758 -33.9758 -5.0165 -5.0165 10.5774 10.5774 11.0388 11.0388 11.1123 11.1123 11.5941 11.5941 11.6023 11.6023 12.2030 12.2030 12.2922 12.2922 12.4971 12.4971 15.9696 15.9696 29.7796 29.7796 32.0562 32.0562 k = 0.0000 0.0000 0.0000 ( 1225 PWs) bands (ev): -69.8601 -69.8601 -38.6729 -38.6729 -34.3751 -34.3751 -33.9758 -33.9758 -5.0165 -5.0165 10.5774 10.5774 11.0388 11.0388 11.1123 11.1123 11.5941 11.5941 11.6023 11.6023 12.2030 12.2030 12.2922 12.2922 12.4971 12.4971 15.9696 15.9696 29.7796 29.7796 32.0562 32.0562 k = 0.0085 0.0066 0.0000 ( 1225 PWs) bands (ev): -69.8601 -69.8601 -38.6729 -38.6729 -34.3751 -34.3751 -33.9759 -33.9759 -5.0162 -5.0162 10.5771 10.5771 11.0382 11.0382 11.1118 11.1118 11.4996 11.4996 11.6953 11.6953 12.2033 12.2033 12.2950 12.2950 12.4978 12.4978 15.9713 15.9713 29.7804 29.7804 32.0279 32.0279 k = 0.0169 0.0133 0.0000 ( 1225 PWs) bands (ev): -69.8601 -69.8601 -38.6729 -38.6729 -34.3751 -34.3751 -33.9759 -33.9759 -5.0153 -5.0153 10.5761 10.5761 11.0366 11.0366 11.1104 11.1104 11.4004 11.4004 11.7895 11.7895 12.2042 12.2042 12.3035 12.3035 12.5001 12.5001 15.9766 15.9766 29.7827 29.7827 31.9457 31.9457 k = 0.0254 0.0199 0.0000 ( 1225 PWs) bands (ev): -69.8601 -69.8601 -38.6730 -38.6730 -34.3751 -34.3751 -33.9761 -33.9761 -5.0139 -5.0139 10.5745 10.5745 11.0339 11.0339 11.1080 11.1080 11.3010 11.3010 11.8796 11.8796 12.2056 12.2056 12.3187 12.3187 12.5037 12.5037 15.9854 15.9854 29.7867 29.7867 31.8172 31.8172 k = 0.0339 0.0266 0.0000 ( 1225 PWs) bands (ev): -69.8601 -69.8601 -38.6730 -38.6730 -34.3752 -34.3752 -33.9762 -33.9762 -5.0119 -5.0119 10.5722 10.5722 11.0302 11.0302 11.1046 11.1046 11.2020 11.2020 11.9631 11.9631 12.2076 12.2076 12.3423 12.3423 12.5089 12.5089 15.9979 15.9979 29.7922 29.7922 31.6517 31.6517 k = 0.0424 0.0332 0.0000 ( 1225 PWs) bands (ev): -69.8601 -69.8601 -38.6731 -38.6731 -34.3752 -34.3752 -33.9765 -33.9765 -5.0094 -5.0094 10.5692 10.5692 11.0251 11.0251 11.1004 11.1004 11.1039 11.1039 12.0371 12.0371 12.2101 12.2101 12.3768 12.3768 12.5155 12.5155 16.0141 16.0141 29.7993 29.7993 31.4582 31.4582 k = 0.0508 0.0398 0.0000 ( 1229 PWs) bands (ev): -69.8601 -69.8601 -38.6732 -38.6732 -34.3753 -34.3753 -33.9767 -33.9767 -5.0063 -5.0063 10.5657 10.5657 11.0014 11.0014 11.0244 11.0244 11.0954 11.0954 12.0990 12.0990 12.2130 12.2130 12.4242 12.4242 12.5235 12.5235 16.0340 16.0340 29.8078 29.8078 31.2440 31.2440 k = 0.0593 0.0465 0.0000 ( 1225 PWs) bands (ev): -69.8600 -69.8600 -38.6733 -38.6733 -34.3754 -34.3754 -33.9770 -33.9770 -5.0027 -5.0027 10.5616 10.5616 10.9081 10.9081 11.0151 11.0151 11.0896 11.0896 12.1484 12.1484 12.2163 12.2163 12.4845 12.4845 12.5330 12.5330 16.0579 16.0579 29.8178 29.8178 31.0152 31.0152 k = 0.0678 0.0531 0.0000 ( 1221 PWs) bands (ev): -69.8600 -69.8600 -38.6735 -38.6735 -34.3755 -34.3755 -33.9774 -33.9774 -4.9986 -4.9986 10.5569 10.5569 10.8134 10.8134 11.0078 11.0078 11.0832 11.0832 12.1875 12.1875 12.2200 12.2200 12.5439 12.5439 12.5551 12.5551 16.0859 16.0859 29.8292 29.8292 30.7760 30.7760 k = 0.0763 0.0598 0.0000 ( 1221 PWs) bands (ev): -69.8600 -69.8600 -38.6736 -38.6736 -34.3756 -34.3756 -33.9778 -33.9778 -4.9939 -4.9939 10.5515 10.5515 10.7200 10.7200 11.0000 11.0000 11.0761 11.0761 12.2194 12.2194 12.2239 12.2239 12.5561 12.5561 12.6320 12.6320 16.1181 16.1181 29.8419 29.8419 30.5296 30.5296 k = 0.0847 0.0664 0.0000 ( 1221 PWs) bands (ev): -69.8599 -69.8599 -38.6738 -38.6738 -34.3757 -34.3757 -33.9782 -33.9782 -4.9888 -4.9888 10.5456 10.5456 10.6284 10.6284 10.9918 10.9918 11.0684 11.0684 12.2280 12.2280 12.2471 12.2471 12.5695 12.5695 12.7121 12.7121 16.1546 16.1546 29.8558 29.8558 30.2785 30.2785 k = 0.0932 0.0730 0.0000 ( 1225 PWs) bands (ev): -69.8599 -69.8599 -38.6740 -38.6740 -34.3759 -34.3759 -33.9787 -33.9787 -4.9831 -4.9831 10.5386 10.5386 10.5389 10.5389 10.9829 10.9829 11.0601 11.0601 12.2320 12.2320 12.2723 12.2723 12.5842 12.5842 12.7931 12.7931 16.1957 16.1957 29.8709 29.8709 30.0245 30.0245 k = 0.1017 0.0797 0.0000 ( 1225 PWs) bands (ev): -69.8598 -69.8598 -38.6742 -38.6742 -34.3760 -34.3760 -33.9793 -33.9793 -4.9771 -4.9771 10.4510 10.4510 10.5319 10.5319 10.9737 10.9737 11.0515 11.0515 12.2364 12.2364 12.2962 12.2962 12.6000 12.6000 12.8731 12.8731 16.2415 16.2415 29.7690 29.7690 29.8872 29.8872 k = 0.1102 0.0863 0.0000 ( 1225 PWs) bands (ev): -69.8598 -69.8598 -38.6744 -38.6744 -34.3762 -34.3762 -33.9798 -33.9798 -4.9706 -4.9706 10.3655 10.3655 10.5244 10.5244 10.9643 10.9643 11.0426 11.0426 12.2409 12.2409 12.3195 12.3195 12.6170 12.6170 12.9512 12.9512 16.2919 16.2919 29.5130 29.5130 29.9045 29.9045 k = 0.1186 0.0929 0.0000 ( 1225 PWs) bands (ev): -69.8598 -69.8598 -38.6746 -38.6746 -34.3764 -34.3764 -33.9804 -33.9804 -4.9637 -4.9637 10.2823 10.2823 10.5164 10.5164 10.9545 10.9545 11.0335 11.0335 12.2455 12.2455 12.3425 12.3425 12.6350 12.6350 13.0266 13.0266 16.3473 16.3473 29.2575 29.2575 29.9228 29.9228 k = 0.1271 0.0996 0.0000 ( 1225 PWs) bands (ev): -69.8597 -69.8597 -38.6748 -38.6748 -34.3765 -34.3765 -33.9811 -33.9811 -4.9563 -4.9563 10.2015 10.2015 10.5079 10.5079 10.9447 10.9447 11.0241 11.0241 12.2502 12.2502 12.3655 12.3655 12.6539 12.6539 13.0986 13.0986 16.4076 16.4076 29.0030 29.0030 29.9419 29.9419 k = 0.1356 0.1062 0.0000 ( 1225 PWs) bands (ev): -69.8596 -69.8596 -38.6751 -38.6751 -34.3767 -34.3767 -33.9817 -33.9817 -4.9487 -4.9487 10.1231 10.1231 10.4990 10.4990 10.9347 10.9347 11.0146 11.0146 12.2549 12.2549 12.3885 12.3885 12.6736 12.6736 13.1669 13.1669 16.4729 16.4729 28.7502 28.7502 29.9618 29.9618 k = 0.1441 0.1129 0.0000 ( 1225 PWs) bands (ev): -69.8596 -69.8596 -38.6753 -38.6753 -34.3769 -34.3769 -33.9825 -33.9825 -4.9407 -4.9407 10.0473 10.0473 10.4896 10.4896 10.9246 10.9246 11.0051 11.0051 12.2596 12.2596 12.4116 12.4116 12.6940 12.6940 13.2311 13.2311 16.5431 16.5431 28.4994 28.4994 29.9824 29.9824 k = 0.1525 0.1195 0.0000 ( 1225 PWs) bands (ev): -69.8595 -69.8595 -38.6756 -38.6756 -34.3771 -34.3771 -33.9832 -33.9832 -4.9323 -4.9323 9.9741 9.9741 10.4800 10.4800 10.9146 10.9146 10.9955 10.9955 12.2644 12.2644 12.4349 12.4349 12.7152 12.7152 13.2910 13.2910 16.6184 16.6184 28.2512 28.2512 30.0036 30.0036 k = 0.1610 0.1261 0.0000 ( 1225 PWs) bands (ev): -69.8595 -69.8595 -38.6759 -38.6759 -34.3773 -34.3773 -33.9840 -33.9840 -4.9237 -4.9237 9.9037 9.9037 10.4699 10.4699 10.9046 10.9046 10.9860 10.9860 12.2691 12.2691 12.4582 12.4582 12.7368 12.7368 13.3464 13.3464 16.6985 16.6985 28.0057 28.0057 30.0253 30.0253 k = 0.1695 0.1328 0.0000 ( 1225 PWs) bands (ev): -69.8594 -69.8594 -38.6762 -38.6762 -34.3775 -34.3775 -33.9847 -33.9847 -4.9148 -4.9148 9.8359 9.8359 10.4596 10.4596 10.8947 10.8947 10.9765 10.9765 12.2739 12.2739 12.4815 12.4815 12.7589 12.7589 13.3972 13.3972 16.7832 16.7832 27.7633 27.7633 30.0473 30.0473 k = 0.1780 0.1394 0.0000 ( 1225 PWs) bands (ev): -69.8593 -69.8593 -38.6765 -38.6765 -34.3778 -34.3778 -33.9856 -33.9856 -4.9057 -4.9057 9.7709 9.7709 10.4490 10.4490 10.8850 10.8850 10.9672 10.9672 12.2786 12.2786 12.5049 12.5049 12.7814 12.7814 13.4434 13.4434 16.8725 16.8725 27.5243 27.5243 30.0697 30.0697 k = 0.1864 0.1461 0.0000 ( 1217 PWs) bands (ev): -69.8592 -69.8592 -38.6768 -38.6768 -34.3780 -34.3780 -33.9864 -33.9864 -4.8964 -4.8964 9.7088 9.7088 10.4382 10.4382 10.8756 10.8756 10.9581 10.9581 12.2834 12.2834 12.5283 12.5283 12.8044 12.8044 13.4851 13.4851 16.9662 16.9662 27.2887 27.2887 30.0924 30.0924 k = 0.1949 0.1527 0.0000 ( 1217 PWs) bands (ev): -69.8592 -69.8592 -38.6771 -38.6771 -34.3782 -34.3782 -33.9872 -33.9872 -4.8870 -4.8870 9.6495 9.6495 10.4271 10.4271 10.8663 10.8663 10.9491 10.9491 12.2882 12.2882 12.5515 12.5515 12.8274 12.8274 13.5223 13.5223 17.0638 17.0638 27.0568 27.0568 30.1152 30.1152 k = 0.2034 0.1593 0.0000 ( 1225 PWs) bands (ev): -69.8591 -69.8591 -38.6774 -38.6774 -34.3785 -34.3785 -33.9881 -33.9881 -4.8773 -4.8773 9.5931 9.5931 10.4158 10.4158 10.8572 10.8572 10.9403 10.9403 12.2929 12.2929 12.5743 12.5743 12.8503 12.8503 13.5546 13.5546 17.1652 17.1652 26.8287 26.8287 30.1380 30.1380 k = 0.2119 0.1660 0.0000 ( 1233 PWs) bands (ev): -69.8591 -69.8591 -38.6778 -38.6778 -34.3787 -34.3787 -33.9890 -33.9890 -4.8676 -4.8676 9.5394 9.5394 10.4044 10.4044 10.8482 10.8482 10.9316 10.9316 12.2972 12.2972 12.5969 12.5969 12.8734 12.8734 13.5830 13.5830 17.2701 17.2701 26.6045 26.6045 30.1608 30.1608 k = 0.2203 0.1726 0.0000 ( 1232 PWs) bands (ev): -69.8590 -69.8590 -38.6781 -38.6781 -34.3790 -34.3790 -33.9899 -33.9899 -4.8578 -4.8578 9.4887 9.4887 10.3928 10.3928 10.8397 10.8397 10.9234 10.9234 12.3020 12.3020 12.6193 12.6193 12.8965 12.8965 13.6075 13.6075 17.3781 17.3781 26.3845 26.3845 30.1835 30.1835 k = 0.2288 0.1793 0.0000 ( 1244 PWs) bands (ev): -69.8590 -69.8590 -38.6785 -38.6785 -34.3792 -34.3792 -33.9908 -33.9908 -4.8480 -4.8480 9.4409 9.4409 10.3811 10.3811 10.8314 10.8314 10.9153 10.9153 12.3065 12.3065 12.6410 12.6410 12.9192 12.9192 13.6278 13.6278 17.4889 17.4889 26.1686 26.1686 30.2059 30.2059 k = 0.2373 0.1859 0.0000 ( 1244 PWs) bands (ev): -69.8589 -69.8589 -38.6788 -38.6788 -34.3795 -34.3795 -33.9917 -33.9917 -4.8381 -4.8381 9.3959 9.3959 10.3695 10.3695 10.8235 10.8235 10.9076 10.9076 12.3111 12.3111 12.6626 12.6626 12.9420 12.9420 13.6446 13.6446 17.6022 17.6022 25.9570 25.9570 30.2282 30.2282 k = 0.2458 0.1925 0.0000 ( 1244 PWs) bands (ev): -69.8588 -69.8588 -38.6791 -38.6791 -34.3797 -34.3797 -33.9926 -33.9926 -4.8283 -4.8283 9.3538 9.3538 10.3578 10.3578 10.8160 10.8160 10.9003 10.9003 12.3158 12.3158 12.6837 12.6837 12.9646 12.9646 13.6579 13.6579 17.7176 17.7176 25.7498 25.7498 30.2502 30.2502 k = 0.2542 0.1992 0.0000 ( 1244 PWs) bands (ev): -69.8588 -69.8588 -38.6795 -38.6795 -34.3800 -34.3800 -33.9935 -33.9935 -4.8184 -4.8184 9.3144 9.3144 10.3461 10.3461 10.8088 10.8088 10.8933 10.8933 12.3203 12.3203 12.7042 12.7042 12.9869 12.9869 13.6679 13.6679 17.8349 17.8349 25.5469 25.5469 30.2719 30.2719 k = 0.2627 0.2058 0.0000 ( 1244 PWs) bands (ev): -69.8587 -69.8587 -38.6798 -38.6798 -34.3802 -34.3802 -33.9944 -33.9944 -4.8087 -4.8087 9.2779 9.2779 10.3344 10.3344 10.8020 10.8020 10.8866 10.8866 12.3249 12.3249 12.7241 12.7241 13.0089 13.0089 13.6749 13.6749 17.9537 17.9537 25.3485 25.3485 30.2931 30.2931 k = 0.2712 0.2125 0.0000 ( 1252 PWs) bands (ev): -69.8586 -69.8586 -38.6802 -38.6802 -34.3805 -34.3805 -33.9954 -33.9954 -4.7991 -4.7991 9.2439 9.2439 10.3228 10.3228 10.7955 10.7955 10.8802 10.8802 12.3293 12.3293 12.7431 12.7431 13.0302 13.0302 13.6790 13.6790 18.0737 18.0737 25.1545 25.1545 30.3138 30.3138 k = 0.2797 0.2191 0.0000 ( 1252 PWs) bands (ev): -69.8586 -69.8586 -38.6805 -38.6805 -34.3807 -34.3807 -33.9963 -33.9963 -4.7895 -4.7895 9.2127 9.2127 10.3114 10.3114 10.7894 10.7894 10.8742 10.8742 12.3337 12.3337 12.7617 12.7617 13.0513 13.0513 13.6805 13.6805 18.1947 18.1947 24.9650 24.9650 30.3340 30.3340 k = 0.2881 0.2257 0.0000 ( 1252 PWs) bands (ev): -69.8585 -69.8585 -38.6808 -38.6808 -34.3810 -34.3810 -33.9972 -33.9972 -4.7801 -4.7801 9.1841 9.1841 10.3001 10.3001 10.7836 10.7836 10.8685 10.8685 12.3380 12.3380 12.7794 12.7794 13.0719 13.0719 13.6797 13.6797 18.3164 18.3164 24.7800 24.7800 30.3537 30.3537 k = 0.2966 0.2324 0.0000 ( 1252 PWs) bands (ev): -69.8584 -69.8584 -38.6811 -38.6811 -34.3812 -34.3812 -33.9980 -33.9980 -4.7709 -4.7709 9.1580 9.1580 10.2890 10.2890 10.7782 10.7782 10.8632 10.8632 12.3422 12.3422 12.7964 12.7964 13.0920 13.0920 13.6768 13.6768 18.4386 18.4386 24.5994 24.5994 30.3727 30.3727 k = 0.3051 0.2390 0.0000 ( 1252 PWs) bands (ev): -69.8584 -69.8584 -38.6815 -38.6815 -34.3815 -34.3815 -33.9989 -33.9989 -4.7619 -4.7619 9.1344 9.1344 10.2780 10.2780 10.7731 10.7731 10.8582 10.8582 12.3464 12.3464 12.8125 12.8125 13.1115 13.1115 13.6719 13.6719 18.5610 18.5610 24.4232 24.4232 30.3912 30.3912 k = 0.3136 0.2457 0.0000 ( 1244 PWs) bands (ev): -69.8583 -69.8583 -38.6818 -38.6818 -34.3817 -34.3817 -33.9997 -33.9997 -4.7531 -4.7531 9.1131 9.1131 10.2674 10.2674 10.7684 10.7684 10.8535 10.8535 12.3506 12.3506 12.8279 12.8279 13.1305 13.1305 13.6653 13.6653 18.6834 18.6834 24.2514 24.2514 30.4090 30.4090 k = 0.3220 0.2523 0.0000 ( 1244 PWs) bands (ev): -69.8582 -69.8582 -38.6821 -38.6821 -34.3819 -34.3819 -34.0006 -34.0006 -4.7446 -4.7446 9.0941 9.0941 10.2570 10.2570 10.7640 10.7640 10.8491 10.8491 12.3546 12.3546 12.8422 12.8422 13.1487 13.1487 13.6573 13.6573 18.8056 18.8056 24.0839 24.0839 30.4261 30.4261 k = 0.3305 0.2589 0.0000 ( 1248 PWs) bands (ev): -69.8581 -69.8581 -38.6824 -38.6824 -34.3821 -34.3821 -34.0014 -34.0014 -4.7363 -4.7363 9.0771 9.0771 10.2468 10.2468 10.7599 10.7599 10.8451 10.8451 12.3584 12.3584 12.8553 12.8553 13.1662 13.1662 13.6479 13.6479 18.9275 18.9275 23.9207 23.9207 30.4425 30.4425 k = 0.3390 0.2656 0.0000 ( 1248 PWs) bands (ev): -69.8581 -69.8581 -38.6827 -38.6827 -34.3824 -34.3824 -34.0022 -34.0022 -4.7283 -4.7283 9.0623 9.0623 10.2370 10.2370 10.7561 10.7561 10.8413 10.8413 12.3621 12.3621 12.8676 12.8676 13.1830 13.1830 13.6376 13.6376 19.0489 19.0489 23.7616 23.7616 30.4582 30.4582 k = 0.3475 0.2722 0.0000 ( 1248 PWs) bands (ev): -69.8580 -69.8580 -38.6830 -38.6830 -34.3826 -34.3826 -34.0029 -34.0029 -4.7206 -4.7206 9.0494 9.0494 10.2275 10.2275 10.7525 10.7525 10.8378 10.8378 12.3657 12.3657 12.8788 12.8788 13.1991 13.1991 13.6266 13.6266 19.1696 19.1696 23.6067 23.6067 30.4731 30.4731 k = 0.3559 0.2788 0.0000 ( 1252 PWs) bands (ev): -69.8580 -69.8580 -38.6832 -38.6832 -34.3828 -34.3828 -34.0037 -34.0037 -4.7132 -4.7132 9.0383 9.0383 10.2184 10.2184 10.7493 10.7493 10.8346 10.8346 12.3692 12.3692 12.8889 12.8889 13.2144 13.2144 13.6147 13.6147 19.2896 19.2896 23.4557 23.4557 30.4873 30.4873 k = 0.3644 0.2855 0.0000 ( 1252 PWs) bands (ev): -69.8579 -69.8579 -38.6835 -38.6835 -34.3830 -34.3830 -34.0044 -34.0044 -4.7062 -4.7062 9.0288 9.0288 10.2097 10.2097 10.7463 10.7463 10.8316 10.8316 12.3725 12.3725 12.8979 12.8979 13.2290 13.2290 13.6027 13.6027 19.4087 19.4087 23.3086 23.3086 30.5007 30.5007 k = 0.3729 0.2921 0.0000 ( 1252 PWs) bands (ev): -69.8579 -69.8579 -38.6837 -38.6837 -34.3831 -34.3831 -34.0050 -34.0050 -4.6995 -4.6995 9.0209 9.0209 10.2014 10.2014 10.7436 10.7436 10.8289 10.8289 12.3756 12.3756 12.9059 12.9059 13.2427 13.2427 13.5906 13.5906 19.5268 19.5268 23.1653 23.1653 30.5133 30.5133 k = 0.3814 0.2988 0.0000 ( 1236 PWs) bands (ev): -69.8577 -69.8577 -38.6840 -38.6840 -34.3833 -34.3833 -34.0056 -34.0056 -4.6932 -4.6932 9.0146 9.0146 10.1936 10.1936 10.7412 10.7412 10.8265 10.8265 12.3787 12.3787 12.9132 12.9132 13.2560 13.2560 13.5790 13.5790 19.6441 19.6441 23.0259 23.0259 30.5252 30.5252 k = 0.3898 0.3054 0.0000 ( 1236 PWs) bands (ev): -69.8577 -69.8577 -38.6842 -38.6842 -34.3835 -34.3835 -34.0062 -34.0062 -4.6873 -4.6873 9.0093 9.0093 10.1862 10.1862 10.7390 10.7390 10.8243 10.8243 12.3815 12.3815 12.9190 12.9190 13.2680 13.2680 13.5672 13.5672 19.7601 19.7601 22.8898 22.8898 30.5362 30.5362 k = 0.3983 0.3120 0.0000 ( 1236 PWs) bands (ev): -69.8577 -69.8577 -38.6844 -38.6844 -34.3836 -34.3836 -34.0068 -34.0068 -4.6817 -4.6817 9.0052 9.0052 10.1792 10.1792 10.7370 10.7370 10.8223 10.8223 12.3841 12.3841 12.9239 12.9239 13.2793 13.2793 13.5559 13.5559 19.8748 19.8748 22.7572 22.7572 30.5464 30.5464 k = 0.4068 0.3187 0.0000 ( 1236 PWs) bands (ev): -69.8576 -69.8576 -38.6846 -38.6846 -34.3838 -34.3838 -34.0073 -34.0073 -4.6766 -4.6766 9.0020 9.0020 10.1728 10.1728 10.7352 10.7352 10.8205 10.8205 12.3866 12.3866 12.9278 12.9278 13.2896 13.2896 13.5451 13.5451 19.9883 19.9883 22.6280 22.6280 30.5559 30.5559 k = 0.4153 0.3253 0.0000 ( 1236 PWs) bands (ev): -69.8576 -69.8576 -38.6848 -38.6848 -34.3839 -34.3839 -34.0078 -34.0078 -4.6719 -4.6719 8.9997 8.9997 10.1668 10.1668 10.7336 10.7336 10.8189 10.8189 12.3888 12.3888 12.9308 12.9308 13.2991 13.2991 13.5350 13.5350 20.1004 20.1004 22.5021 22.5021 30.5645 30.5645 k = 0.4237 0.3320 0.0000 ( 1228 PWs) bands (ev): -69.8575 -69.8575 -38.6849 -38.6849 -34.3840 -34.3840 -34.0082 -34.0082 -4.6676 -4.6676 8.9981 8.9981 10.1616 10.1616 10.7322 10.7322 10.8175 10.8175 12.3909 12.3909 12.9332 12.9332 13.3079 13.3079 13.5257 13.5257 20.2110 20.2110 22.3795 22.3795 30.5723 30.5723 k = 0.4322 0.3386 0.0000 ( 1228 PWs) bands (ev): -69.8575 -69.8575 -38.6851 -38.6851 -34.3841 -34.3841 -34.0086 -34.0086 -4.6637 -4.6637 8.9970 8.9970 10.1567 10.1567 10.7310 10.7310 10.8163 10.8163 12.3928 12.3928 12.9348 12.9348 13.3157 13.3157 13.5173 13.5173 20.3199 20.3199 22.2602 22.2602 30.5793 30.5794 k = 0.4407 0.3452 0.0000 ( 1228 PWs) bands (ev): -69.8574 -69.8574 -38.6852 -38.6852 -34.3842 -34.3842 -34.0090 -34.0090 -4.6603 -4.6603 8.9964 8.9964 10.1524 10.1524 10.7300 10.7300 10.8152 10.8152 12.3944 12.3944 12.9358 12.9358 13.3225 13.3225 13.5098 13.5098 20.4267 20.4267 22.1445 22.1445 30.5855 30.5855 k = 0.4492 0.3519 0.0000 ( 1228 PWs) bands (ev): -69.8574 -69.8574 -38.6853 -38.6853 -34.3843 -34.3843 -34.0093 -34.0093 -4.6573 -4.6573 8.9961 8.9961 10.1486 10.1486 10.7291 10.7291 10.8143 10.8143 12.3959 12.3959 12.9363 12.9363 13.3284 13.3284 13.5033 13.5033 20.5311 20.5311 22.0327 22.0327 30.5909 30.5909 k = 0.4576 0.3585 0.0000 ( 1232 PWs) bands (ev): -69.8574 -69.8574 -38.6854 -38.6854 -34.3844 -34.3844 -34.0096 -34.0096 -4.6548 -4.6548 8.9960 8.9960 10.1454 10.1454 10.7283 10.7283 10.8135 10.8135 12.3970 12.3970 12.9364 12.9364 13.3333 13.3333 13.4977 13.4977 20.6321 20.6321 21.9256 21.9256 30.5954 30.5954 k = 0.4661 0.3652 0.0000 ( 1224 PWs) bands (ev): -69.8574 -69.8574 -38.6855 -38.6855 -34.3844 -34.3844 -34.0098 -34.0098 -4.6527 -4.6527 8.9961 8.9961 10.1429 10.1429 10.7278 10.7278 10.8130 10.8130 12.3981 12.3981 12.9365 12.9365 13.3376 13.3376 13.4933 13.4933 20.7282 20.7282 21.8246 21.8246 30.5992 30.5992 k = 0.4746 0.3718 0.0000 ( 1224 PWs) bands (ev): -69.8573 -69.8573 -38.6855 -38.6855 -34.3845 -34.3845 -34.0099 -34.0099 -4.6511 -4.6511 8.9963 8.9963 10.1409 10.1409 10.7273 10.7273 10.8125 10.8125 12.3989 12.3989 12.9364 12.9364 13.3408 13.3408 13.4898 13.4898 20.8165 20.8165 21.7324 21.7324 30.6021 30.6021 k = 0.4831 0.3784 0.0000 ( 1224 PWs) bands (ev): -69.8573 -69.8573 -38.6856 -38.6856 -34.3845 -34.3845 -34.0101 -34.0101 -4.6500 -4.6500 8.9963 8.9963 10.1394 10.1394 10.7270 10.7270 10.8122 10.8122 12.3995 12.3995 12.9363 12.9363 13.3431 13.3431 13.4872 13.4872 20.8921 20.8921 21.6544 21.6544 30.6041 30.6041 k = 0.4915 0.3851 0.0000 ( 1224 PWs) bands (ev): -69.8573 -69.8573 -38.6856 -38.6856 -34.3845 -34.3845 -34.0101 -34.0101 -4.6493 -4.6493 8.9964 8.9964 10.1385 10.1385 10.7268 10.7268 10.8120 10.8120 12.3998 12.3998 12.9361 12.9361 13.3445 13.3445 13.4857 13.4857 20.9457 20.9457 21.5992 21.5992 30.6054 30.6054 k = 0.5000 0.3917 0.0000 ( 1224 PWs) bands (ev): -69.8573 -69.8573 -38.6856 -38.6856 -34.3845 -34.3845 -34.0102 -34.0102 -4.6491 -4.6491 8.9964 8.9964 10.1382 10.1382 10.7267 10.7267 10.8119 10.8119 12.3999 12.3999 12.9361 12.9361 13.3450 13.3450 13.4852 13.4852 20.9656 20.9656 21.5788 21.5788 30.6058 30.6058 k = 0.5000 0.3917 0.0000 ( 1224 PWs) bands (ev): -69.8573 -69.8573 -38.6856 -38.6856 -34.3845 -34.3845 -34.0102 -34.0102 -4.6491 -4.6491 8.9964 8.9964 10.1382 10.1382 10.7267 10.7267 10.8119 10.8119 12.3999 12.3999 12.9361 12.9361 13.3450 13.3450 13.4852 13.4852 20.9656 20.9656 21.5788 21.5788 30.6058 30.6058 k = 0.4953 0.3977 0.0076 ( 1224 PWs) bands (ev): -69.8573 -69.8573 -38.6856 -38.6856 -34.3846 -34.3846 -34.0102 -34.0102 -4.6485 -4.6485 8.9962 8.9962 10.1316 10.1316 10.7228 10.7228 10.8111 10.8111 12.4099 12.4099 12.9371 12.9371 13.3455 13.3455 13.4866 13.4866 20.9683 20.9683 21.5789 21.5789 30.5406 30.5406 k = 0.4906 0.4037 0.0152 ( 1228 PWs) bands (ev): -69.8573 -69.8573 -38.6857 -38.6857 -34.3847 -34.3847 -34.0102 -34.0102 -4.6469 -4.6469 8.9953 8.9953 10.1121 10.1121 10.7069 10.7069 10.8130 10.8130 12.4391 12.4391 12.9398 12.9398 13.3471 13.3471 13.4905 13.4905 20.9764 20.9764 21.5792 21.5792 30.4027 30.4027 k = 0.4860 0.4096 0.0228 ( 1228 PWs) bands (ev): -69.8573 -69.8573 -38.6858 -38.6858 -34.3849 -34.3849 -34.0102 -34.0102 -4.6442 -4.6442 8.9938 8.9938 10.0811 10.0811 10.6735 10.6735 10.8239 10.8239 12.4858 12.4858 12.9444 12.9444 13.3500 13.3500 13.4971 13.4971 20.9897 20.9897 21.5798 21.5798 30.2402 30.2402 k = 0.4813 0.4156 0.0304 ( 1232 PWs) bands (ev): -69.8573 -69.8573 -38.6859 -38.6859 -34.3852 -34.3852 -34.0102 -34.0102 -4.6405 -4.6405 8.9918 8.9918 10.0400 10.0400 10.6239 10.6239 10.8436 10.8436 12.5476 12.5476 12.9506 12.9506 13.3540 13.3540 13.5061 13.5061 21.0084 21.0084 21.5806 21.5806 30.0670 30.0670 k = 0.4766 0.4216 0.0380 ( 1232 PWs) bands (ev): -69.8572 -69.8572 -38.6861 -38.6861 -34.3856 -34.3856 -34.0102 -34.0102 -4.6356 -4.6356 8.9892 8.9892 9.9904 9.9904 10.5619 10.5619 10.8694 10.8694 12.6218 12.6218 12.9582 12.9582 13.3595 13.3595 13.5176 13.5176 21.0322 21.0322 21.5818 21.5818 29.8878 29.8878 k = 0.4719 0.4276 0.0456 ( 1232 PWs) bands (ev): -69.8572 -69.8572 -38.6863 -38.6863 -34.3861 -34.3861 -34.0102 -34.0102 -4.6298 -4.6298 8.9862 8.9862 9.9333 9.9333 10.4907 10.4907 10.8996 10.8996 12.7058 12.7058 12.9671 12.9671 13.3666 13.3666 13.5314 13.5314 21.0613 21.0613 21.5832 21.5832 29.7046 29.7046 k = 0.4672 0.4336 0.0532 ( 1232 PWs) bands (ev): -69.8571 -69.8571 -38.6865 -38.6865 -34.3866 -34.3866 -34.0101 -34.0101 -4.6229 -4.6229 8.9826 8.9826 9.8703 9.8703 10.4131 10.4131 10.9328 10.9328 12.7971 12.7971 12.9771 12.9771 13.3757 13.3757 13.5472 13.5472 21.0954 21.0954 21.5849 21.5849 29.5184 29.5184 k = 0.4625 0.4395 0.0608 ( 1232 PWs) bands (ev): -69.8570 -69.8570 -38.6868 -38.6868 -34.3872 -34.3872 -34.0101 -34.0101 -4.6150 -4.6150 8.9785 8.9785 9.8021 9.8021 10.3307 10.3307 10.9684 10.9684 12.8929 12.8929 12.9884 12.9884 13.3876 13.3876 13.5649 13.5649 21.1345 21.1345 21.5869 21.5869 29.3298 29.3298 k = 0.4579 0.4455 0.0683 ( 1232 PWs) bands (ev): -69.8570 -69.8570 -38.6871 -38.6871 -34.3879 -34.3879 -34.0101 -34.0101 -4.6062 -4.6062 8.9740 8.9740 9.7293 9.7293 10.2450 10.2450 11.0059 11.0059 12.9814 12.9814 13.0100 13.0100 13.4033 13.4033 13.5842 13.5842 21.1784 21.1784 21.5894 21.5894 29.1395 29.1395 k = 0.4532 0.4515 0.0759 ( 1232 PWs) bands (ev): -69.8569 -69.8569 -38.6874 -38.6874 -34.3887 -34.3887 -34.0101 -34.0101 -4.5964 -4.5964 8.9691 8.9691 9.6527 9.6527 10.1570 10.1570 11.0452 11.0452 13.0050 13.0050 13.0962 13.0962 13.4251 13.4251 13.6049 13.6049 21.2270 21.2270 21.5922 21.5922 28.9478 28.9478 k = 0.4485 0.4575 0.0835 ( 1228 PWs) bands (ev): -69.8568 -69.8568 -38.6878 -38.6878 -34.3895 -34.3895 -34.0101 -34.0101 -4.5856 -4.5856 8.9639 8.9639 9.5727 9.5727 10.0679 10.0679 11.0863 11.0863 13.0166 13.0166 13.1884 13.1884 13.4578 13.4578 13.6268 13.6268 21.2801 21.2801 21.5956 21.5956 28.7549 28.7549 k = 0.4438 0.4634 0.0911 ( 1229 PWs) bands (ev): -69.8567 -69.8567 -38.6882 -38.6882 -34.3904 -34.3904 -34.0100 -34.0100 -4.5740 -4.5740 8.9583 8.9583 9.4898 9.4898 9.9779 9.9779 11.1286 11.1286 13.0269 13.0269 13.2671 13.2671 13.5087 13.5087 13.6495 13.6495 21.3374 21.3374 21.5996 21.5996 28.5611 28.5611 k = 0.4391 0.4694 0.0987 ( 1233 PWs) bands (ev): -69.8566 -69.8566 -38.6886 -38.6886 -34.3914 -34.3914 -34.0100 -34.0100 -4.5616 -4.5616 8.9524 8.9524 9.4044 9.4044 9.8877 9.8877 11.1725 11.1725 13.0364 13.0364 13.3252 13.3252 13.5832 13.5832 13.6736 13.6736 21.3986 21.3986 21.6045 21.6045 28.3667 28.3667 k = 0.4344 0.4754 0.1063 ( 1237 PWs) bands (ev): -69.8565 -69.8565 -38.6890 -38.6890 -34.3924 -34.3924 -34.0100 -34.0100 -4.5483 -4.5483 8.9463 8.9463 9.3171 9.3171 9.7978 9.7978 11.2178 11.2178 13.0449 13.0449 13.3661 13.3661 13.6707 13.6707 13.7056 13.7056 21.4626 21.4626 21.6111 21.6111 28.1718 28.1718 k = 0.4298 0.4814 0.1139 ( 1237 PWs) bands (ev): -69.8563 -69.8563 -38.6895 -38.6895 -34.3935 -34.3935 -34.0099 -34.0099 -4.5342 -4.5342 8.9399 8.9399 9.2281 9.2281 9.7085 9.7085 11.2645 11.2645 13.0527 13.0527 13.3975 13.3975 13.7129 13.7129 13.7957 13.7957 21.5270 21.5270 21.6220 21.6220 27.9767 27.9767 k = 0.4251 0.4874 0.1215 ( 1237 PWs) bands (ev): -69.8562 -69.8562 -38.6900 -38.6900 -34.3947 -34.3947 -34.0099 -34.0099 -4.5195 -4.5195 8.9333 8.9333 9.1378 9.1378 9.6200 9.6200 11.3126 11.3126 13.0595 13.0595 13.4245 13.4245 13.7375 13.7375 13.9101 13.9101 21.5798 21.5798 21.6486 21.6486 27.7815 27.7815 k = 0.4204 0.4933 0.1291 ( 1229 PWs) bands (ev): -69.8561 -69.8561 -38.6905 -38.6905 -34.3959 -34.3959 -34.0098 -34.0098 -4.5040 -4.5040 8.9264 8.9264 9.0470 9.0470 9.5330 9.5330 11.3621 11.3621 13.0654 13.0654 13.4499 13.4499 13.7605 13.7605 14.0298 14.0298 21.6049 21.6049 21.7072 21.7072 27.5864 27.5864 k = 0.4157 0.4993 0.1367 ( 1233 PWs) bands (ev): -69.8559 -69.8559 -38.6910 -38.6910 -34.3971 -34.3971 -34.0097 -34.0097 -4.4880 -4.4880 8.9162 8.9162 8.9585 8.9585 9.4469 9.4469 11.4129 11.4129 13.0701 13.0701 13.4746 13.4746 13.7823 13.7823 14.1520 14.1520 21.6171 21.6171 21.7828 21.7828 27.3914 27.3914 k = 0.4110 0.5053 0.1443 ( 1233 PWs) bands (ev): -69.8558 -69.8558 -38.6915 -38.6915 -34.3984 -34.3984 -34.0096 -34.0096 -4.4713 -4.4713 8.8568 8.8568 8.9187 8.9187 9.3625 9.3625 11.4649 11.4649 13.0739 13.0739 13.4996 13.4996 13.8032 13.8032 14.2757 14.2757 21.6265 21.6265 21.8649 21.8649 27.1970 27.1970 k = 0.4063 0.5113 0.1519 ( 1233 PWs) bands (ev): -69.8556 -69.8556 -38.6921 -38.6921 -34.3997 -34.3997 -34.0095 -34.0095 -4.4542 -4.4542 8.7660 8.7660 8.9102 8.9102 9.2799 9.2799 11.5180 11.5180 13.0767 13.0767 13.5250 13.5250 13.8232 13.8232 14.4002 14.4002 21.6356 21.6356 21.9510 21.9510 27.0030 27.0030 k = 0.4017 0.5172 0.1595 ( 1229 PWs) bands (ev): -69.8555 -69.8555 -38.6927 -38.6927 -34.4011 -34.4011 -34.0094 -34.0094 -4.4366 -4.4366 8.6737 8.6737 8.9032 8.9032 9.1994 9.1994 11.5723 11.5723 13.0787 13.0787 13.5509 13.5509 13.8422 13.8422 14.5250 14.5250 21.6450 21.6450 22.0404 22.0404 26.8097 26.8097 k = 0.3970 0.5232 0.1671 ( 1225 PWs) bands (ev): -69.8553 -69.8553 -38.6932 -38.6932 -34.4025 -34.4025 -34.0093 -34.0093 -4.4186 -4.4186 8.5815 8.5815 8.8963 8.8963 9.1212 9.1212 11.6275 11.6275 13.0798 13.0798 13.5772 13.5772 13.8600 13.8600 14.6498 14.6498 21.6550 21.6550 22.1325 22.1325 26.6173 26.6173 k = 0.3923 0.5292 0.1747 ( 1233 PWs) bands (ev): -69.8552 -69.8552 -38.6938 -38.6938 -34.4039 -34.4039 -34.0091 -34.0091 -4.4003 -4.4003 8.4897 8.4897 8.8887 8.8887 9.0458 9.0458 11.6831 11.6831 13.0800 13.0800 13.6038 13.6038 13.8767 13.8767 14.7738 14.7738 21.6658 21.6658 22.2270 22.2270 26.4259 26.4259 k = 0.3876 0.5352 0.1823 ( 1233 PWs) bands (ev): -69.8550 -69.8550 -38.6944 -38.6944 -34.4053 -34.4053 -34.0090 -34.0090 -4.3818 -4.3818 8.3988 8.3988 8.8784 8.8784 8.9755 8.9755 11.7398 11.7398 13.0795 13.0795 13.6307 13.6307 13.8923 13.8923 14.8974 14.8974 21.6776 21.6776 22.3236 22.3236 26.2356 26.2356 k = 0.3829 0.5412 0.1898 ( 1233 PWs) bands (ev): -69.8548 -69.8548 -38.6950 -38.6950 -34.4068 -34.4068 -34.0088 -34.0088 -4.3630 -4.3630 8.3088 8.3088 8.8553 8.8553 8.9206 8.9206 11.7970 11.7970 13.0784 13.0784 13.6577 13.6577 13.9069 13.9069 15.0200 15.0200 21.6904 21.6904 22.4220 22.4220 26.0466 26.0466 k = 0.3782 0.5471 0.1974 ( 1233 PWs) bands (ev): -69.8547 -69.8547 -38.6956 -38.6956 -34.4083 -34.4083 -34.0086 -34.0086 -4.3442 -4.3442 8.2202 8.2202 8.8043 8.8043 8.8962 8.8962 11.8546 11.8546 13.0765 13.0765 13.6846 13.6846 13.9204 13.9204 15.1413 15.1413 21.7044 21.7044 22.5219 22.5219 25.8592 25.8592 k = 0.3736 0.5531 0.2050 ( 1233 PWs) bands (ev): -69.8545 -69.8545 -38.6962 -38.6962 -34.4097 -34.4097 -34.0084 -34.0084 -4.3253 -4.3253 8.1329 8.1329 8.7409 8.7409 8.8869 8.8869 11.9124 11.9124 13.0741 13.0741 13.7111 13.7111 13.9331 13.9331 15.2612 15.2612 21.7196 21.7196 22.6231 22.6231 25.6734 25.6734 k = 0.3689 0.5591 0.2126 ( 1233 PWs) bands (ev): -69.8544 -69.8544 -38.6968 -38.6968 -34.4112 -34.4112 -34.0082 -34.0082 -4.3064 -4.3064 8.0473 8.0473 8.6762 8.6762 8.8817 8.8817 11.9701 11.9701 13.0711 13.0711 13.7371 13.7371 13.9450 13.9450 15.3795 15.3795 21.7362 21.7362 22.7252 22.7252 25.4895 25.4895 k = 0.3642 0.5651 0.2202 ( 1233 PWs) bands (ev): -69.8542 -69.8542 -38.6974 -38.6974 -34.4126 -34.4126 -34.0079 -34.0079 -4.2877 -4.2877 7.9636 7.9636 8.6128 8.6128 8.8783 8.8783 12.0276 12.0276 13.0675 13.0675 13.7622 13.7622 13.9564 13.9564 15.4958 15.4958 21.7542 21.7542 22.8279 22.8279 25.3079 25.3079 k = 0.3595 0.5711 0.2278 ( 1235 PWs) bands (ev): -69.8541 -69.8541 -38.6980 -38.6980 -34.4141 -34.4141 -34.0077 -34.0077 -4.2691 -4.2691 7.8819 7.8819 8.5511 8.5511 8.8761 8.8761 12.0846 12.0846 13.0632 13.0632 13.7861 13.7861 13.9676 13.9676 15.6099 15.6099 21.7738 21.7738 22.9307 22.9307 25.1289 25.1289 k = 0.3548 0.5770 0.2354 ( 1235 PWs) bands (ev): -69.8539 -69.8539 -38.6985 -38.6985 -34.4155 -34.4155 -34.0074 -34.0074 -4.2508 -4.2508 7.8025 7.8025 8.4917 8.4917 8.8748 8.8748 12.1409 12.1409 13.0587 13.0587 13.8084 13.8084 13.9787 13.9787 15.7216 15.7216 21.7950 21.7950 23.0331 23.0331 24.9531 24.9531 k = 0.3501 0.5830 0.2430 ( 1239 PWs) bands (ev): -69.8538 -69.8538 -38.6991 -38.6991 -34.4169 -34.4169 -34.0072 -34.0072 -4.2329 -4.2329 7.7254 7.7254 8.4344 8.4344 8.8745 8.8745 12.1961 12.1961 13.0536 13.0536 13.8287 13.8287 13.9903 13.9903 15.8306 15.8306 21.8180 21.8180 23.1342 23.1342 24.7813 24.7813 k = 0.3455 0.5890 0.2506 ( 1239 PWs) bands (ev): -69.8536 -69.8536 -38.6996 -38.6996 -34.4183 -34.4183 -34.0069 -34.0069 -4.2154 -4.2154 7.6509 7.6509 8.3797 8.3797 8.8751 8.8751 12.2501 12.2501 13.0482 13.0482 13.8465 13.8465 14.0027 14.0027 15.9369 15.9369 21.8429 21.8429 23.2326 23.2326 24.6151 24.6151 k = 0.3408 0.5950 0.2582 ( 1235 PWs) bands (ev): -69.8535 -69.8535 -38.7001 -38.7001 -34.4196 -34.4196 -34.0065 -34.0065 -4.1984 -4.1984 7.5792 7.5792 8.3274 8.3274 8.8768 8.8768 12.3025 12.3025 13.0424 13.0424 13.8616 13.8616 14.0163 14.0163 16.0401 16.0401 21.8698 21.8698 23.3258 23.3258 24.4568 24.4568 k = 0.3361 0.6009 0.2658 ( 1239 PWs) bands (ev): -69.8533 -69.8533 -38.7006 -38.7006 -34.4209 -34.4209 -34.0062 -34.0062 -4.1819 -4.1819 7.5102 7.5102 8.2776 8.2776 8.8793 8.8793 12.3530 12.3530 13.0359 13.0359 13.8737 13.8737 14.0310 14.0310 16.1399 16.1399 21.8986 21.8986 23.4087 23.4087 24.3115 24.3115 k = 0.3314 0.6069 0.2734 ( 1239 PWs) bands (ev): -69.8532 -69.8532 -38.7011 -38.7011 -34.4222 -34.4222 -34.0059 -34.0059 -4.1662 -4.1662 7.4443 7.4443 8.2304 8.2304 8.8828 8.8828 12.4013 12.4013 13.0294 13.0294 13.8831 13.8831 14.0468 14.0468 16.2362 16.2362 21.9297 21.9297 23.4710 23.4710 24.1897 24.1897 k = 0.3267 0.6129 0.2810 ( 1235 PWs) bands (ev): -69.8531 -69.8531 -38.7016 -38.7016 -34.4234 -34.4234 -34.0055 -34.0055 -4.1512 -4.1512 7.3816 7.3816 8.1858 8.1858 8.8873 8.8873 12.4473 12.4473 13.0226 13.0226 13.8899 13.8899 14.0635 14.0635 16.3287 16.3287 21.9632 21.9632 23.4933 23.4933 24.1109 24.1109 k = 0.3267 0.6129 0.2810 ( 1235 PWs) bands (ev): -69.8531 -69.8531 -38.7016 -38.7016 -34.4234 -34.4234 -34.0055 -34.0055 -4.1512 -4.1512 7.3816 7.3816 8.1858 8.1858 8.8873 8.8873 12.4473 12.4473 13.0226 13.0226 13.8899 13.8899 14.0635 14.0635 16.3287 16.3287 21.9632 21.9632 23.4933 23.4933 24.1109 24.1109 k = 0.3171 0.6100 0.2846 ( 1239 PWs) bands (ev): -69.8530 -69.8530 -38.7018 -38.7018 -34.4239 -34.4239 -34.0054 -34.0054 -4.1443 -4.1443 7.3523 7.3523 8.1652 8.1652 8.8897 8.8897 12.4686 12.4686 13.0190 13.0190 13.8918 13.8918 14.0731 14.0731 16.3719 16.3719 21.9721 21.9721 23.4840 23.4840 24.1024 24.1024 k = 0.3075 0.6071 0.2883 ( 1237 PWs) bands (ev): -69.8530 -69.8530 -38.7020 -38.7020 -34.4245 -34.4245 -34.0052 -34.0052 -4.1378 -4.1378 7.3234 7.3234 8.1451 8.1451 8.8920 8.8920 12.4900 12.4900 13.0154 13.0154 13.8927 13.8927 14.0857 14.0857 16.4142 16.4142 21.9651 21.9651 23.4638 23.4638 24.1232 24.1232 k = 0.2979 0.6043 0.2920 ( 1239 PWs) bands (ev): -69.8529 -69.8529 -38.7021 -38.7021 -34.4250 -34.4250 -34.0049 -34.0049 -4.1316 -4.1316 7.2949 7.2949 8.1257 8.1257 8.8941 8.8941 12.5113 12.5113 13.0115 13.0115 13.8929 13.8929 14.1009 14.1009 16.4555 16.4555 21.9417 21.9417 23.4382 23.4382 24.1678 24.1678 k = 0.2883 0.6014 0.2956 ( 1241 PWs) bands (ev): -69.8529 -69.8529 -38.7023 -38.7023 -34.4255 -34.4255 -34.0047 -34.0047 -4.1256 -4.1256 7.2668 7.2668 8.1068 8.1068 8.8960 8.8960 12.5326 12.5326 13.0074 13.0074 13.8928 13.8928 14.1183 14.1183 16.4958 16.4958 21.9019 21.9019 23.4128 23.4128 24.2306 24.2306 k = 0.2787 0.5985 0.2993 ( 1237 PWs) bands (ev): -69.8528 -69.8528 -38.7025 -38.7025 -34.4260 -34.4260 -34.0044 -34.0044 -4.1200 -4.1200 7.2392 7.2392 8.0886 8.0886 8.8978 8.8978 12.5540 12.5540 13.0032 13.0032 13.8926 13.8926 14.1378 14.1378 16.5351 16.5351 21.8470 21.8470 23.3915 23.3915 24.3065 24.3065 k = 0.2691 0.5956 0.3029 ( 1239 PWs) bands (ev): -69.8528 -69.8528 -38.7026 -38.7026 -34.4265 -34.4265 -34.0042 -34.0042 -4.1147 -4.1147 7.2120 7.2120 8.0710 8.0710 8.8992 8.8992 12.5754 12.5754 12.9988 12.9988 13.8923 13.8923 14.1590 14.1590 16.5734 16.5734 21.7784 21.7784 23.3758 23.3758 24.3922 24.3922 k = 0.2595 0.5927 0.3066 ( 1237 PWs) bands (ev): -69.8527 -69.8527 -38.7028 -38.7028 -34.4270 -34.4270 -34.0039 -34.0039 -4.1096 -4.1096 7.1854 7.1854 8.0540 8.0540 8.9005 8.9005 12.5966 12.5966 12.9944 12.9944 13.8923 13.8923 14.1821 14.1821 16.6107 16.6107 21.6981 21.6981 23.3663 23.3663 24.4853 24.4853 k = 0.2498 0.5899 0.3102 ( 1239 PWs) bands (ev): -69.8527 -69.8527 -38.7029 -38.7029 -34.4274 -34.4274 -34.0036 -34.0036 -4.1049 -4.1049 7.1591 7.1591 8.0375 8.0375 8.9013 8.9013 12.6181 12.6181 12.9898 12.9898 13.8923 13.8923 14.2067 14.2067 16.6468 16.6468 21.6083 21.6083 23.3624 23.3624 24.5839 24.5839 k = 0.2402 0.5870 0.3139 ( 1239 PWs) bands (ev): -69.8527 -69.8527 -38.7030 -38.7030 -34.4278 -34.4278 -34.0033 -34.0033 -4.1004 -4.1004 7.1335 7.1335 8.0218 8.0218 8.9019 8.9019 12.6397 12.6397 12.9852 12.9852 13.8925 13.8925 14.2328 14.2328 16.6817 16.6817 21.5109 21.5109 23.3633 23.3633 24.6867 24.6867 k = 0.2306 0.5841 0.3176 ( 1235 PWs) bands (ev): -69.8526 -69.8526 -38.7031 -38.7031 -34.4282 -34.4282 -34.0030 -34.0030 -4.0961 -4.0961 7.1084 7.1084 8.0066 8.0066 8.9022 8.9022 12.6613 12.6613 12.9807 12.9807 13.8929 13.8929 14.2604 14.2604 16.7156 16.7156 21.4080 21.4080 23.3682 23.3682 24.7927 24.7927 k = 0.2210 0.5812 0.3212 ( 1235 PWs) bands (ev): -69.8526 -69.8526 -38.7032 -38.7032 -34.4286 -34.4286 -34.0027 -34.0027 -4.0921 -4.0921 7.0839 7.0839 7.9919 7.9919 8.9022 8.9022 12.6828 12.6828 12.9762 12.9762 13.8934 13.8934 14.2893 14.2893 16.7483 16.7483 21.3010 21.3010 23.3762 23.3762 24.9010 24.9010 k = 0.2114 0.5783 0.3249 ( 1234 PWs) bands (ev): -69.8526 -69.8526 -38.7033 -38.7033 -34.4290 -34.4290 -34.0024 -34.0024 -4.0883 -4.0883 7.0601 7.0601 7.9779 7.9779 8.9020 8.9020 12.7042 12.7042 12.9716 12.9716 13.8941 13.8941 14.3196 14.3196 16.7799 16.7799 21.1913 21.1913 23.3866 23.3866 25.0108 25.0108 k = 0.2018 0.5755 0.3285 ( 1232 PWs) bands (ev): -69.8525 -69.8525 -38.7034 -38.7034 -34.4294 -34.4294 -34.0021 -34.0021 -4.0848 -4.0848 7.0369 7.0369 7.9644 7.9644 8.9014 8.9014 12.7255 12.7255 12.9671 12.9671 13.8949 13.8949 14.3511 14.3511 16.8102 16.8102 21.0802 21.0802 23.3987 23.3987 25.1215 25.1215 k = 0.1922 0.5726 0.3322 ( 1236 PWs) bands (ev): -69.8525 -69.8525 -38.7035 -38.7035 -34.4297 -34.4297 -34.0018 -34.0018 -4.0815 -4.0815 7.0145 7.0145 7.9515 7.9515 8.9006 8.9006 12.7466 12.7466 12.9626 12.9626 13.8957 13.8957 14.3835 14.3835 16.8391 16.8391 20.9686 20.9686 23.4121 23.4121 25.2326 25.2326 k = 0.1826 0.5697 0.3359 ( 1236 PWs) bands (ev): -69.8525 -69.8525 -38.7035 -38.7035 -34.4300 -34.4300 -34.0015 -34.0015 -4.0784 -4.0784 6.9928 6.9928 7.9392 7.9392 8.8996 8.8996 12.7673 12.7673 12.9584 12.9584 13.8967 13.8967 14.4168 14.4168 16.8669 16.8669 20.8573 20.8573 23.4263 23.4263 25.3432 25.3432 k = 0.1730 0.5668 0.3395 ( 1236 PWs) bands (ev): -69.8525 -69.8525 -38.7036 -38.7036 -34.4303 -34.4303 -34.0012 -34.0012 -4.0755 -4.0755 6.9719 6.9719 7.9276 7.9276 8.8985 8.8985 12.7875 12.7875 12.9544 12.9544 13.8977 13.8977 14.4508 14.4508 16.8934 16.8934 20.7472 20.7472 23.4410 23.4410 25.4530 25.4530 k = 0.1634 0.5639 0.3432 ( 1236 PWs) bands (ev): -69.8525 -69.8525 -38.7037 -38.7037 -34.4306 -34.4306 -34.0009 -34.0009 -4.0728 -4.0728 6.9518 6.9518 7.9165 7.9165 8.8971 8.8971 12.8071 12.8071 12.9508 12.9508 13.8987 13.8987 14.4854 14.4854 16.9186 16.9186 20.6389 20.6389 23.4559 23.4559 25.5614 25.5614 k = 0.1538 0.5611 0.3468 ( 1236 PWs) bands (ev): -69.8525 -69.8525 -38.7037 -38.7037 -34.4309 -34.4309 -34.0006 -34.0006 -4.0703 -4.0703 6.9327 6.9327 7.9061 7.9061 8.8956 8.8956 12.8259 12.8259 12.9475 12.9475 13.8998 13.8998 14.5203 14.5203 16.9425 16.9425 20.5330 20.5330 23.4707 23.4707 25.6679 25.6679 k = 0.1441 0.5582 0.3505 ( 1237 PWs) bands (ev): -69.8524 -69.8524 -38.7038 -38.7038 -34.4312 -34.4312 -34.0004 -34.0004 -4.0679 -4.0679 6.9144 6.9144 7.8963 7.8963 8.8940 8.8940 12.8434 12.8434 12.9449 12.9449 13.9008 13.9008 14.5555 14.5555 16.9651 16.9651 20.4301 20.4301 23.4854 23.4854 25.7720 25.7720 k = 0.1345 0.5553 0.3542 ( 1235 PWs) bands (ev): -69.8524 -69.8524 -38.7038 -38.7038 -34.4314 -34.4314 -34.0001 -34.0001 -4.0658 -4.0658 6.8971 6.8971 7.8872 7.8872 8.8924 8.8924 12.8597 12.8597 12.9432 12.9432 13.9019 13.9019 14.5905 14.5905 16.9863 16.9863 20.3307 20.3307 23.4997 23.4997 25.8731 25.8731 k = 0.1249 0.5524 0.3578 ( 1237 PWs) bands (ev): -69.8524 -69.8524 -38.7039 -38.7039 -34.4316 -34.4316 -33.9998 -33.9998 -4.0638 -4.0638 6.8808 6.8808 7.8785 7.8785 8.8907 8.8907 12.8739 12.8739 12.9428 12.9428 13.9029 13.9029 14.6251 14.6251 17.0061 17.0061 20.2353 20.2353 23.5135 23.5135 25.9708 25.9708 k = 0.1153 0.5495 0.3615 ( 1235 PWs) bands (ev): -69.8524 -69.8524 -38.7039 -38.7039 -34.4318 -34.4318 -33.9996 -33.9996 -4.0620 -4.0620 6.8656 6.8656 7.8706 7.8706 8.8891 8.8891 12.8854 12.8854 12.9446 12.9446 13.9039 13.9039 14.6591 14.6591 17.0245 17.0245 20.1444 20.1444 23.5266 23.5266 26.0644 26.0644 k = 0.1057 0.5467 0.3651 ( 1237 PWs) bands (ev): -69.8524 -69.8524 -38.7039 -38.7039 -34.4320 -34.4320 -33.9994 -33.9994 -4.0604 -4.0604 6.8514 6.8514 7.8633 7.8633 8.8874 8.8874 12.8933 12.8933 12.9490 12.9490 13.9049 13.9049 14.6921 14.6921 17.0414 17.0414 20.0585 20.0585 23.5391 23.5391 26.1534 26.1534 k = 0.0961 0.5438 0.3688 ( 1236 PWs) bands (ev): -69.8524 -69.8524 -38.7039 -38.7039 -34.4322 -34.4322 -33.9992 -33.9992 -4.0589 -4.0589 6.8384 6.8384 7.8566 7.8566 8.8858 8.8858 12.8979 12.8979 12.9561 12.9561 13.9059 13.9059 14.7237 14.7237 17.0570 17.0570 19.9780 19.9780 23.5506 23.5506 26.2372 26.2372 k = 0.0865 0.5409 0.3724 ( 1232 PWs) bands (ev): -69.8524 -69.8524 -38.7040 -38.7040 -34.4323 -34.4323 -33.9990 -33.9990 -4.0576 -4.0576 6.8265 6.8265 7.8506 7.8506 8.8843 8.8843 12.8999 12.8999 12.9649 12.9649 13.9068 13.9068 14.7538 14.7538 17.0712 17.0712 19.9035 19.9035 23.5613 23.5613 26.3153 26.3153 k = 0.0769 0.5380 0.3761 ( 1232 PWs) bands (ev): -69.8523 -69.8523 -38.7040 -38.7040 -34.4325 -34.4325 -33.9988 -33.9988 -4.0564 -4.0564 6.8157 6.8157 7.8452 7.8452 8.8829 8.8829 12.9003 12.9003 12.9741 12.9741 13.9076 13.9076 14.7819 14.7819 17.0839 17.0839 19.8354 19.8354 23.5711 23.5711 26.3871 26.3871 k = 0.0673 0.5351 0.3798 ( 1234 PWs) bands (ev): -69.8523 -69.8523 -38.7040 -38.7040 -34.4326 -34.4326 -33.9986 -33.9986 -4.0554 -4.0554 6.8061 6.8061 7.8404 7.8404 8.8815 8.8815 12.9000 12.9000 12.9831 12.9831 13.9083 13.9083 14.8077 14.8077 17.0951 17.0951 19.7741 19.7741 23.5798 23.5798 26.4520 26.4520 k = 0.0577 0.5322 0.3834 ( 1235 PWs) bands (ev): -69.8523 -69.8523 -38.7040 -38.7040 -34.4327 -34.4327 -33.9985 -33.9985 -4.0545 -4.0545 6.7978 6.7978 7.8363 7.8363 8.8803 8.8803 12.8992 12.8992 12.9914 12.9914 13.9089 13.9089 14.8309 14.8309 17.1048 17.1048 19.7200 19.7200 23.5874 23.5874 26.5095 26.5095 k = 0.0480 0.5294 0.3871 ( 1237 PWs) bands (ev): -69.8524 -69.8524 -38.7040 -38.7040 -34.4328 -34.4328 -33.9984 -33.9984 -4.0538 -4.0538 6.7907 6.7907 7.8327 7.8327 8.8792 8.8792 12.8984 12.8984 12.9987 12.9987 13.9095 13.9095 14.8512 14.8512 17.1131 17.1131 19.6735 19.6735 23.5939 23.5939 26.5592 26.5592 k = 0.0384 0.5265 0.3907 ( 1238 PWs) bands (ev): -69.8523 -69.8523 -38.7040 -38.7040 -34.4329 -34.4329 -33.9983 -33.9983 -4.0532 -4.0532 6.7848 6.7848 7.8298 7.8298 8.8783 8.8783 12.8976 12.8976 13.0049 13.0049 13.9101 13.9101 14.8682 14.8682 17.1198 17.1198 19.6349 19.6349 23.5993 23.5993 26.6005 26.6005 k = 0.0288 0.5236 0.3944 ( 1236 PWs) bands (ev): -69.8523 -69.8523 -38.7040 -38.7040 -34.4329 -34.4329 -33.9982 -33.9982 -4.0527 -4.0527 6.7803 6.7803 7.8275 7.8275 8.8777 8.8777 12.8969 12.8969 13.0098 13.0098 13.9105 13.9105 14.8817 14.8817 17.1251 17.1251 19.6046 19.6046 23.6035 23.6035 26.6330 26.6330 k = 0.0192 0.5207 0.3981 ( 1236 PWs) bands (ev): -69.8523 -69.8523 -38.7041 -38.7041 -34.4330 -34.4330 -33.9981 -33.9981 -4.0524 -4.0524 6.7770 6.7770 7.8259 7.8259 8.8772 8.8772 12.8964 12.8964 13.0133 13.0133 13.9108 13.9108 14.8915 14.8915 17.1288 17.1288 19.5828 19.5828 23.6066 23.6066 26.6565 26.6565 k = 0.0096 0.5178 0.4017 ( 1236 PWs) bands (ev): -69.8523 -69.8523 -38.7041 -38.7041 -34.4330 -34.4330 -33.9981 -33.9981 -4.0522 -4.0522 6.7751 6.7751 7.8250 7.8250 8.8769 8.8769 12.8961 12.8961 13.0154 13.0154 13.9110 13.9110 14.8974 14.8974 17.1311 17.1311 19.5696 19.5696 23.6084 23.6084 26.6707 26.6707 k = 0.0000 0.5150 0.4054 ( 1238 PWs) bands (ev): -69.8523 -69.8523 -38.7041 -38.7041 -34.4330 -34.4330 -33.9981 -33.9981 -4.0521 -4.0521 6.7744 6.7744 7.8246 7.8246 8.8768 8.8768 12.8959 12.8959 13.0161 13.0161 13.9110 13.9110 14.8994 14.8994 17.1318 17.1318 19.5652 19.5652 23.6090 23.6090 26.6754 26.6754 k = 0.0000 0.5150 0.4054 ( 1238 PWs) bands (ev): -69.8523 -69.8523 -38.7041 -38.7041 -34.4330 -34.4330 -33.9981 -33.9981 -4.0521 -4.0521 6.7744 6.7744 7.8246 7.8246 8.8768 8.8768 12.8959 12.8959 13.0161 13.0161 13.9110 13.9110 14.8994 14.8994 17.1318 17.1318 19.5652 19.5652 23.6090 23.6090 26.6754 26.6754 k = 0.0047 0.5089 0.4130 ( 1238 PWs) bands (ev): -69.8523 -69.8523 -38.7041 -38.7041 -34.4331 -34.4331 -33.9981 -33.9981 -4.0524 -4.0524 6.7760 6.7760 7.8256 7.8256 8.8777 8.8777 12.8947 12.8947 13.0163 13.0163 13.9102 13.9102 14.8987 14.8987 17.1276 17.1276 19.5697 19.5697 23.6080 23.6080 26.6782 26.6782 k = 0.0094 0.5029 0.4207 ( 1238 PWs) bands (ev): -69.8523 -69.8523 -38.7041 -38.7041 -34.4332 -34.4332 -33.9981 -33.9981 -4.0533 -4.0533 6.7809 6.7809 7.8284 7.8284 8.8803 8.8803 12.8911 12.8911 13.0167 13.0167 13.9078 13.9078 14.8965 14.8965 17.1148 17.1148 19.5832 19.5832 23.6052 23.6052 26.6864 26.6864 k = 0.0142 0.4969 0.4283 ( 1238 PWs) bands (ev): -69.8523 -69.8523 -38.7042 -38.7042 -34.4333 -34.4333 -33.9982 -33.9982 -4.0548 -4.0548 6.7891 6.7891 7.8332 7.8332 8.8846 8.8846 12.8852 12.8852 13.0174 13.0174 13.9038 13.9038 14.8930 14.8930 17.0939 17.0939 19.6053 19.6053 23.6004 23.6004 26.7000 26.7000 k = 0.0189 0.4909 0.4360 ( 1236 PWs) bands (ev): -69.8522 -69.8522 -38.7044 -38.7044 -34.4336 -34.4336 -33.9983 -33.9983 -4.0568 -4.0568 6.8004 6.8004 7.8401 7.8401 8.8907 8.8907 12.8769 12.8769 13.0184 13.0184 13.8982 13.8982 14.8880 14.8880 17.0651 17.0651 19.6359 19.6359 23.5938 23.5938 26.7189 26.7189 k = 0.0236 0.4849 0.4436 ( 1236 PWs) bands (ev): -69.8522 -69.8522 -38.7045 -38.7045 -34.4339 -34.4339 -33.9984 -33.9984 -4.0594 -4.0594 6.8150 6.8150 7.8487 7.8487 8.8986 8.8986 12.8663 12.8663 13.0198 13.0198 13.8910 13.8910 14.8816 14.8816 17.0288 17.0288 19.6744 19.6744 23.5854 23.5854 26.7430 26.7430 k = 0.0283 0.4788 0.4513 ( 1236 PWs) bands (ev): -69.8521 -69.8521 -38.7047 -38.7047 -34.4343 -34.4343 -33.9985 -33.9985 -4.0626 -4.0626 6.8328 6.8328 7.8592 7.8592 8.9082 8.9082 12.8534 12.8534 13.0214 13.0214 13.8822 13.8822 14.8739 14.8739 16.9856 16.9856 19.7205 19.7205 23.5751 23.5751 26.7719 26.7719 k = 0.0330 0.4728 0.4589 ( 1232 PWs) bands (ev): -69.8521 -69.8521 -38.7050 -38.7050 -34.4347 -34.4347 -33.9986 -33.9986 -4.0664 -4.0664 6.8537 6.8537 7.8716 7.8716 8.9195 8.9195 12.8383 12.8383 13.0235 13.0235 13.8719 13.8719 14.8648 14.8648 16.9361 16.9361 19.7735 19.7735 23.5631 23.5631 26.8057 26.8057 k = 0.0377 0.4668 0.4666 ( 1234 PWs) bands (ev): -69.8520 -69.8520 -38.7052 -38.7052 -34.4353 -34.4353 -33.9988 -33.9988 -4.0706 -4.0706 6.8777 6.8777 7.8857 7.8857 8.9325 8.9325 12.8211 12.8211 13.0256 13.0256 13.8600 13.8600 14.8544 14.8544 16.8807 16.8807 19.8329 19.8329 23.5493 23.5493 26.8437 26.8437 k = 0.0425 0.4608 0.4742 ( 1236 PWs) bands (ev): -69.8519 -69.8519 -38.7056 -38.7056 -34.4359 -34.4359 -33.9990 -33.9990 -4.0754 -4.0754 6.9048 6.9048 7.9017 7.9017 8.9472 8.9472 12.8018 12.8018 13.0280 13.0280 13.8466 13.8466 14.8426 14.8426 16.8201 16.8201 19.8984 19.8984 23.5338 23.5338 26.8859 26.8859 k = 0.0472 0.4548 0.4819 ( 1236 PWs) bands (ev): -69.8518 -69.8518 -38.7059 -38.7059 -34.4365 -34.4365 -33.9991 -33.9991 -4.0807 -4.0807 6.9350 6.9350 7.9194 7.9194 8.9636 8.9636 12.7807 12.7807 13.0304 13.0304 13.8318 13.8318 14.8296 14.8296 16.7548 16.7548 19.9694 19.9694 23.5168 23.5168 26.9317 26.9317 k = 0.0519 0.4487 0.4895 ( 1236 PWs) bands (ev): -69.8517 -69.8517 -38.7063 -38.7063 -34.4372 -34.4372 -33.9994 -33.9994 -4.0865 -4.0865 6.9681 6.9681 7.9389 7.9389 8.9817 8.9817 12.7579 12.7579 13.0330 13.0330 13.8156 13.8156 14.8154 14.8154 16.6852 16.6852 20.0456 20.0456 23.4982 23.4982 26.9808 26.9808 k = 0.0566 0.4427 0.4972 ( 1238 PWs) bands (ev): -69.8516 -69.8516 -38.7067 -38.7067 -34.4380 -34.4380 -33.9996 -33.9996 -4.0927 -4.0927 7.0042 7.0042 7.9602 7.9602 9.0014 9.0014 12.7333 12.7333 13.0355 13.0355 13.7980 13.7980 14.7999 14.7999 16.6119 16.6119 20.1264 20.1264 23.4781 23.4781 27.0328 27.0328 k = 0.0613 0.4367 0.5048 ( 1236 PWs) bands (ev): -69.8514 -69.8514 -38.7071 -38.7071 -34.4388 -34.4388 -33.9998 -33.9998 -4.0994 -4.0994 7.0431 7.0431 7.9831 7.9831 9.0228 9.0228 12.7074 12.7074 13.0378 13.0378 13.7792 13.7792 14.7834 14.7834 16.5353 16.5353 20.2117 20.2117 23.4567 23.4567 27.0871 27.0871 k = 0.0660 0.4307 0.5125 ( 1236 PWs) bands (ev): -69.8513 -69.8513 -38.7076 -38.7076 -34.4397 -34.4397 -34.0001 -34.0001 -4.1064 -4.1064 7.0848 7.0848 8.0076 8.0076 9.0458 9.0458 12.6802 12.6802 13.0400 13.0400 13.7593 13.7593 14.7656 14.7656 16.4556 16.4556 20.3010 20.3010 23.4340 23.4340 27.1432 27.1432 k = 0.0708 0.4247 0.5201 ( 1236 PWs) bands (ev): -69.8512 -69.8512 -38.7081 -38.7081 -34.4406 -34.4406 -34.0003 -34.0003 -4.1139 -4.1139 7.1292 7.1292 8.0338 8.0338 9.0704 9.0704 12.6518 12.6518 13.0416 13.0416 13.7383 13.7383 14.7467 14.7467 16.3733 16.3733 20.3942 20.3942 23.4100 23.4100 27.2004 27.2004 k = 0.0755 0.4186 0.5278 ( 1234 PWs) bands (ev): -69.8510 -69.8510 -38.7086 -38.7086 -34.4416 -34.4416 -34.0006 -34.0006 -4.1217 -4.1217 7.1763 7.1763 8.0615 8.0615 9.0966 9.0966 12.6225 12.6225 13.0425 13.0425 13.7165 13.7165 14.7268 14.7268 16.2886 16.2886 20.4910 20.4910 23.3849 23.3849 27.2582 27.2582 k = 0.0802 0.4126 0.5354 ( 1232 PWs) bands (ev): -69.8508 -69.8508 -38.7091 -38.7091 -34.4426 -34.4426 -34.0008 -34.0008 -4.1299 -4.1299 7.2259 7.2259 8.0907 8.0907 9.1244 9.1244 12.5924 12.5924 13.0425 13.0425 13.6942 13.6942 14.7059 14.7059 16.2020 16.2020 20.5911 20.5911 23.3588 23.3588 27.3158 27.3158 k = 0.0849 0.4066 0.5431 ( 1232 PWs) bands (ev): -69.8507 -69.8507 -38.7097 -38.7097 -34.4437 -34.4437 -34.0011 -34.0011 -4.1383 -4.1383 7.2779 7.2779 8.1213 8.1213 9.1536 9.1536 12.5615 12.5615 13.0414 13.0414 13.6715 13.6715 14.6839 14.6839 16.1136 16.1136 20.6944 20.6944 23.3317 23.3317 27.3723 27.3723 k = 0.0896 0.4006 0.5507 ( 1230 PWs) bands (ev): -69.8505 -69.8505 -38.7102 -38.7102 -34.4448 -34.4448 -34.0014 -34.0014 -4.1470 -4.1470 7.3324 7.3324 8.1532 8.1532 9.1844 9.1844 12.5302 12.5302 13.0388 13.0388 13.6486 13.6486 14.6609 14.6609 16.0237 16.0237 20.8007 20.8007 23.3038 23.3038 27.4268 27.4268 k = 0.0943 0.3945 0.5584 ( 1234 PWs) bands (ev): -69.8503 -69.8503 -38.7108 -38.7108 -34.4459 -34.4459 -34.0017 -34.0017 -4.1559 -4.1559 7.3889 7.3889 8.1864 8.1864 9.2166 9.2166 12.4985 12.4985 13.0343 13.0343 13.6260 13.6260 14.6369 14.6369 15.9326 15.9326 20.9099 20.9099 23.2752 23.2752 27.4780 27.4780 k = 0.0991 0.3885 0.5660 ( 1234 PWs) bands (ev): -69.8502 -69.8502 -38.7114 -38.7114 -34.4471 -34.4471 -34.0020 -34.0020 -4.1651 -4.1651 7.4476 7.4476 8.2209 8.2209 9.2503 9.2503 12.4666 12.4666 13.0278 13.0278 13.6040 13.6040 14.6120 14.6120 15.8405 15.8405 21.0217 21.0217 23.2459 23.2459 27.5244 27.5244 k = 0.1038 0.3825 0.5736 ( 1234 PWs) bands (ev): -69.8500 -69.8500 -38.7121 -38.7121 -34.4483 -34.4483 -34.0023 -34.0023 -4.1744 -4.1744 7.5083 7.5083 8.2565 8.2565 9.2853 9.2853 12.4345 12.4345 13.0186 13.0186 13.5832 13.5832 14.5862 14.5862 15.7478 15.7478 21.1360 21.1360 23.2161 23.2161 27.5633 27.5633 k = 0.1085 0.3765 0.5813 ( 1234 PWs) bands (ev): -69.8498 -69.8498 -38.7127 -38.7127 -34.4495 -34.4495 -34.0026 -34.0026 -4.1838 -4.1838 7.5708 7.5708 8.2932 8.2932 9.3217 9.3217 12.4026 12.4026 13.0065 13.0065 13.5636 13.5636 14.5596 14.5596 15.6546 15.6546 21.2528 21.2528 23.1859 23.1859 27.5885 27.5885 k = 0.1132 0.3705 0.5889 ( 1236 PWs) bands (ev): -69.8496 -69.8496 -38.7133 -38.7133 -34.4507 -34.4507 -34.0029 -34.0029 -4.1933 -4.1933 7.6350 7.6350 8.3308 8.3308 9.3594 9.3594 12.3708 12.3708 12.9911 12.9911 13.5458 13.5458 14.5320 14.5320 15.5610 15.5610 21.3719 21.3719 23.1554 23.1554 27.5853 27.5853 k = 0.1179 0.3644 0.5966 ( 1236 PWs) bands (ev): -69.8494 -69.8494 -38.7140 -38.7140 -34.4520 -34.4520 -34.0031 -34.0031 -4.2029 -4.2029 7.7007 7.7007 8.3692 8.3692 9.3983 9.3983 12.3395 12.3395 12.9721 12.9721 13.5302 13.5302 14.5037 14.5037 15.4675 15.4675 21.4933 21.4933 23.1247 23.1247 27.5282 27.5282 k = 0.1226 0.3584 0.6042 ( 1230 PWs) bands (ev): -69.8492 -69.8492 -38.7146 -38.7146 -34.4532 -34.4532 -34.0034 -34.0034 -4.2125 -4.2125 7.7679 7.7679 8.4086 8.4086 9.4384 9.4384 12.3087 12.3087 12.9496 12.9496 13.5168 13.5168 14.4746 14.4746 15.3741 15.3741 21.6167 21.6167 23.0940 23.0940 27.4210 27.4210 k = 0.1274 0.3524 0.6119 ( 1230 PWs) bands (ev): -69.8490 -69.8490 -38.7153 -38.7153 -34.4545 -34.4545 -34.0037 -34.0037 -4.2221 -4.2221 7.8363 7.8363 8.4486 8.4486 9.4797 9.4797 12.2785 12.2785 12.9231 12.9231 13.5057 13.5057 14.4447 14.4447 15.2810 15.2810 21.7421 21.7421 23.0632 23.0632 27.2927 27.2927 k = 0.1321 0.3464 0.6195 ( 1232 PWs) bands (ev): -69.8489 -69.8489 -38.7159 -38.7159 -34.4558 -34.4558 -34.0040 -34.0040 -4.2317 -4.2317 7.9056 7.9056 8.4891 8.4891 9.5218 9.5218 12.2489 12.2489 12.8931 12.8931 13.4968 13.4968 14.4141 14.4141 15.1885 15.1885 21.8694 21.8694 23.0326 23.0326 27.1587 27.1587 k = 0.1368 0.3404 0.6272 ( 1230 PWs) bands (ev): -69.8487 -69.8487 -38.7165 -38.7165 -34.4570 -34.4570 -34.0042 -34.0042 -4.2412 -4.2412 7.9758 7.9758 8.5300 8.5300 9.5651 9.5651 12.2201 12.2201 12.8596 12.8596 13.4900 13.4900 14.3828 14.3828 15.0970 15.0970 21.9985 21.9985 23.0023 23.0023 27.0244 27.0244 k = 0.1415 0.3343 0.6348 ( 1232 PWs) bands (ev): -69.8485 -69.8485 -38.7172 -38.7172 -34.4583 -34.4583 -34.0045 -34.0045 -4.2507 -4.2507 8.0466 8.0466 8.5713 8.5713 9.6092 9.6092 12.1923 12.1923 12.8229 12.8229 13.4850 13.4850 14.3509 14.3509 15.0063 15.0063 22.1294 22.1294 22.9723 22.9723 26.8918 26.8918 k = 0.1462 0.3283 0.6425 ( 1234 PWs) bands (ev): -69.8483 -69.8483 -38.7178 -38.7178 -34.4595 -34.4595 -34.0047 -34.0047 -4.2599 -4.2599 8.1177 8.1177 8.6127 8.6127 9.6541 9.6541 12.1656 12.1656 12.7834 12.7834 13.4816 13.4816 14.3185 14.3185 14.9170 14.9170 22.2617 22.2617 22.9427 22.9427 26.7622 26.7622 k = 0.1509 0.3223 0.6501 ( 1234 PWs) bands (ev): -69.8481 -69.8481 -38.7184 -38.7184 -34.4608 -34.4608 -34.0050 -34.0050 -4.2690 -4.2690 8.1891 8.1891 8.6542 8.6542 9.6997 9.6997 12.1399 12.1399 12.7414 12.7414 13.4795 13.4795 14.2857 14.2857 14.8291 14.8291 22.3956 22.3956 22.9137 22.9137 26.6361 26.6361 k = 0.1557 0.3163 0.6578 ( 1234 PWs) bands (ev): -69.8480 -69.8480 -38.7191 -38.7191 -34.4620 -34.4620 -34.0052 -34.0052 -4.2780 -4.2780 8.2603 8.2603 8.6957 8.6957 9.7458 9.7458 12.1155 12.1155 12.6974 12.6974 13.4782 13.4782 14.2525 14.2525 14.7431 14.7431 22.5309 22.5309 22.8855 22.8855 26.5141 26.5141 k = 0.1604 0.3103 0.6654 ( 1230 PWs) bands (ev): -69.8478 -69.8478 -38.7197 -38.7197 -34.4631 -34.4631 -34.0054 -34.0054 -4.2866 -4.2866 8.3312 8.3312 8.7369 8.7369 9.7924 9.7924 12.0924 12.0924 12.6517 12.6517 13.4777 13.4777 14.2192 14.2192 14.6592 14.6592 22.6674 22.6674 22.8582 22.8582 26.3965 26.3965 k = 0.1651 0.3042 0.6731 ( 1236 PWs) bands (ev): -69.8476 -69.8476 -38.7202 -38.7202 -34.4643 -34.4643 -34.0056 -34.0056 -4.2951 -4.2951 8.4014 8.4014 8.7777 8.7777 9.8393 9.8393 12.0704 12.0704 12.6046 12.6046 13.4772 13.4772 14.1858 14.1858 14.5775 14.5775 22.8014 22.8014 22.8353 22.8353 26.2834 26.2834 k = 0.1698 0.2982 0.6807 ( 1238 PWs) bands (ev): -69.8475 -69.8475 -38.7208 -38.7208 -34.4654 -34.4654 -34.0058 -34.0058 -4.3032 -4.3032 8.4706 8.4706 8.8179 8.8179 9.8863 9.8863 12.0498 12.0498 12.5566 12.5566 13.4768 13.4768 14.1525 14.1525 14.4984 14.4984 22.8038 22.8038 22.9463 22.9463 26.1753 26.1753 k = 0.1745 0.2922 0.6884 ( 1240 PWs) bands (ev): -69.8473 -69.8473 -38.7214 -38.7214 -34.4665 -34.4665 -34.0060 -34.0060 -4.3111 -4.3111 8.5386 8.5386 8.8575 8.8575 9.9333 9.9333 12.0306 12.0306 12.5080 12.5080 13.4761 13.4761 14.1195 14.1195 14.4224 14.4224 22.7794 22.7794 23.0860 23.0860 26.0722 26.0722 k = 0.1792 0.2862 0.6960 ( 1242 PWs) bands (ev): -69.8472 -69.8472 -38.7219 -38.7219 -34.4675 -34.4675 -34.0062 -34.0062 -4.3186 -4.3186 8.6050 8.6050 8.8962 8.8962 9.9801 9.9801 12.0128 12.0128 12.4591 12.4591 13.4748 13.4748 14.0870 14.0870 14.3495 14.3495 22.7558 22.7558 23.2271 23.2271 25.9744 25.9744 k = 0.1840 0.2802 0.7037 ( 1238 PWs) bands (ev): -69.8470 -69.8470 -38.7224 -38.7224 -34.4685 -34.4685 -34.0064 -34.0064 -4.3257 -4.3257 8.6694 8.6694 8.9340 8.9340 10.0264 10.0264 11.9965 11.9965 12.4105 12.4105 13.4729 13.4729 14.0554 14.0554 14.2804 14.2804 22.7333 22.7333 23.3692 23.3692 25.8821 25.8821 k = 0.1887 0.2741 0.7113 ( 1236 PWs) bands (ev): -69.8469 -69.8469 -38.7228 -38.7228 -34.4694 -34.4694 -34.0065 -34.0065 -4.3324 -4.3324 8.7314 8.7314 8.9706 8.9706 10.0721 10.0721 11.9816 11.9816 12.3625 12.3625 13.4698 13.4698 14.0249 14.0249 14.2152 14.2152 22.7120 22.7120 23.5120 23.5120 25.7955 25.7955 k = 0.1934 0.2681 0.7190 ( 1234 PWs) bands (ev): -69.8468 -69.8468 -38.7233 -38.7233 -34.4703 -34.4703 -34.0067 -34.0067 -4.3387 -4.3387 8.7906 8.7906 9.0059 9.0059 10.1168 10.1168 11.9678 11.9678 12.3154 12.3154 13.4654 13.4654 13.9956 13.9956 14.1544 14.1544 22.6920 22.6920 23.6555 23.6555 25.7146 25.7146 k = 0.1981 0.2621 0.7266 ( 1238 PWs) bands (ev): -69.8467 -69.8467 -38.7237 -38.7237 -34.4712 -34.4712 -34.0068 -34.0068 -4.3447 -4.3447 8.8466 8.8466 9.0397 9.0397 10.1603 10.1603 11.9550 11.9550 12.2698 12.2698 13.4595 13.4595 13.9678 13.9678 14.0981 14.0981 22.6733 22.6733 23.7995 23.7995 25.6397 25.6397 k = 0.2028 0.2561 0.7343 ( 1236 PWs) bands (ev): -69.8465 -69.8465 -38.7241 -38.7241 -34.4719 -34.4719 -34.0069 -34.0069 -4.3501 -4.3501 8.8988 8.8988 9.0720 9.0720 10.2021 10.2021 11.9434 11.9434 12.2263 12.2263 13.4522 13.4522 13.9420 13.9420 14.0468 14.0468 22.6561 22.6561 23.9438 23.9438 25.5709 25.5709 k = 0.2075 0.2500 0.7419 ( 1236 PWs) bands (ev): -69.8464 -69.8464 -38.7244 -38.7244 -34.4726 -34.4726 -34.0070 -34.0070 -4.3551 -4.3551 8.9470 8.9470 9.1027 9.1027 10.2421 10.2421 11.9324 11.9324 12.1854 12.1854 13.4433 13.4433 13.9183 13.9183 14.0007 14.0007 22.6403 22.6403 24.0882 24.0882 25.5083 25.5083 k = 0.2123 0.2440 0.7496 ( 1238 PWs) bands (ev): -69.8463 -69.8463 -38.7248 -38.7248 -34.4733 -34.4733 -34.0071 -34.0071 -4.3596 -4.3596 8.9905 8.9905 9.1316 9.1316 10.2797 10.2797 11.9221 11.9221 12.1477 12.1477 13.4330 13.4330 13.8967 13.8967 13.9600 13.9600 22.6261 22.6261 24.2325 24.2325 25.4520 25.4520 k = 0.2170 0.2380 0.7572 ( 1240 PWs) bands (ev): -69.8463 -69.8463 -38.7250 -38.7250 -34.4738 -34.4738 -34.0072 -34.0072 -4.3636 -4.3636 9.0290 9.0290 9.1586 9.1586 10.3144 10.3144 11.9119 11.9119 12.1139 12.1139 13.4219 13.4219 13.8771 13.8771 13.9250 13.9250 22.6135 22.6135 24.3762 24.3762 25.4023 25.4023 k = 0.2217 0.2320 0.7649 ( 1238 PWs) bands (ev): -69.8462 -69.8462 -38.7253 -38.7253 -34.4743 -34.4743 -34.0073 -34.0073 -4.3671 -4.3671 9.0623 9.0623 9.1834 9.1834 10.3460 10.3460 11.9019 11.9019 12.0847 12.0847 13.4104 13.4104 13.8592 13.8592 13.8964 13.8964 22.6025 22.6025 24.5189 24.5189 25.3592 25.3592 k = 0.2264 0.2260 0.7725 ( 1238 PWs) bands (ev): -69.8461 -69.8461 -38.7255 -38.7255 -34.4747 -34.4747 -34.0073 -34.0073 -4.3701 -4.3701 9.0901 9.0901 9.2056 9.2056 10.3738 10.3738 11.8920 11.8920 12.0604 12.0604 13.3991 13.3991 13.8425 13.8425 13.8742 13.8742 22.5931 22.5931 24.6596 24.6596 25.3230 25.3230 k = 0.2311 0.2199 0.7802 ( 1238 PWs) bands (ev): -69.8461 -69.8461 -38.7257 -38.7257 -34.4751 -34.4751 -34.0074 -34.0074 -4.3726 -4.3726 9.1126 9.1126 9.2248 9.2248 10.3975 10.3975 11.8824 11.8824 12.0413 12.0413 13.3886 13.3886 13.8269 13.8269 13.8584 13.8584 22.5854 22.5854 24.7969 24.7969 25.2941 25.2941 k = 0.2358 0.2139 0.7878 ( 1238 PWs) bands (ev): -69.8461 -69.8461 -38.7258 -38.7258 -34.4753 -34.4753 -34.0074 -34.0074 -4.3745 -4.3745 9.1298 9.1298 9.2404 9.2404 10.4164 10.4164 11.8737 11.8737 12.0271 12.0271 13.3796 13.3796 13.8135 13.8135 13.8477 13.8477 22.5793 22.5793 24.9274 24.9274 25.2734 25.2734 k = 0.2406 0.2079 0.7955 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7259 -38.7259 -34.4755 -34.4755 -34.0075 -34.0075 -4.3759 -4.3759 9.1420 9.1420 9.2520 9.2520 10.4303 10.4303 11.8668 11.8668 12.0176 12.0176 13.3728 13.3728 13.8034 13.8034 13.8408 13.8408 22.5750 22.5750 25.0434 25.0434 25.2633 25.2633 k = 0.2453 0.2019 0.8031 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3767 -4.3767 9.1492 9.1492 9.2591 9.2591 10.4388 10.4388 11.8622 11.8622 12.0120 12.0120 13.3685 13.3685 13.7971 13.7971 13.8369 13.8369 22.5724 22.5724 25.1255 25.1255 25.2693 25.2693 k = 0.2500 0.1959 0.8108 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3770 -4.3770 9.1516 9.1516 9.2615 9.2615 10.4416 10.4416 11.8606 11.8606 12.0102 12.0102 13.3671 13.3671 13.7950 13.7950 13.8357 13.8357 22.5716 22.5716 25.1525 25.1525 25.2804 25.2804 k = 0.2500 0.1959 0.8108 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3770 -4.3770 9.1516 9.1516 9.2615 9.2615 10.4416 10.4416 11.8606 11.8606 12.0102 12.0102 13.3671 13.3671 13.7950 13.7950 13.8357 13.8357 22.5716 22.5716 25.1525 25.1525 25.2804 25.2804 k = 0.2566 0.2010 0.8042 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3769 -4.3769 9.1493 9.1493 9.2623 9.2623 10.4415 10.4415 11.8537 11.8537 12.0181 12.0181 13.3676 13.3676 13.7958 13.7958 13.8349 13.8349 22.5697 22.5697 25.1241 25.1241 25.2917 25.2917 k = 0.2632 0.2062 0.7977 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7259 -38.7259 -34.4756 -34.4756 -34.0075 -34.0075 -4.3767 -4.3767 9.1435 9.1435 9.2639 9.2639 10.4408 10.4408 11.8373 11.8373 12.0373 12.0373 13.3693 13.3693 13.7981 13.7981 13.8327 13.8327 22.5645 22.5645 25.0719 25.0719 25.2902 25.2902 k = 0.2697 0.2113 0.7911 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7259 -38.7259 -34.4756 -34.4756 -34.0075 -34.0075 -4.3762 -4.3762 9.1354 9.1354 9.2651 9.2651 10.4394 10.4394 11.8170 11.8170 12.0625 12.0625 13.3720 13.3720 13.8018 13.8018 13.8293 13.8293 22.5564 22.5564 25.0156 25.0156 25.2674 25.2674 k = 0.2763 0.2165 0.7846 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7259 -38.7259 -34.4755 -34.4755 -34.0075 -34.0075 -4.3756 -4.3756 9.1257 9.1257 9.2651 9.2651 10.4371 10.4371 11.7963 11.7963 12.0906 12.0906 13.3758 13.3758 13.8054 13.8054 13.8263 13.8263 22.5459 22.5459 24.9592 24.9592 25.2333 25.2333 k = 0.2829 0.2216 0.7780 ( 1234 PWs) bands (ev): -69.8460 -69.8460 -38.7258 -38.7258 -34.4753 -34.4753 -34.0074 -34.0074 -4.3749 -4.3749 9.1151 9.1151 9.2632 9.2632 10.4335 10.4335 11.7770 11.7770 12.1201 12.1201 13.3804 13.3804 13.8047 13.8047 13.8279 13.8279 22.5335 22.5335 24.9039 24.9039 25.1947 25.1947 k = 0.2895 0.2268 0.7715 ( 1234 PWs) bands (ev): -69.8461 -69.8461 -38.7257 -38.7257 -34.4752 -34.4752 -34.0074 -34.0074 -4.3739 -4.3739 9.1038 9.1038 9.2592 9.2592 10.4283 10.4283 11.7601 11.7601 12.1501 12.1501 13.3858 13.3858 13.7979 13.7979 13.8361 13.8361 22.5196 22.5196 24.8501 24.8501 25.1549 25.1549 k = 0.2961 0.2319 0.7649 ( 1234 PWs) bands (ev): -69.8461 -69.8461 -38.7256 -38.7256 -34.4750 -34.4750 -34.0074 -34.0074 -4.3727 -4.3727 9.0922 9.0922 9.2530 9.2530 10.4212 10.4212 11.7462 11.7462 12.1803 12.1803 13.3918 13.3918 13.7875 13.7875 13.8484 13.8484 22.5046 22.5046 24.7980 24.7980 25.1156 25.1156 k = 0.3026 0.2371 0.7584 ( 1234 PWs) bands (ev): -69.8461 -69.8461 -38.7255 -38.7255 -34.4748 -34.4748 -34.0074 -34.0074 -4.3714 -4.3714 9.0803 9.0803 9.2446 9.2446 10.4120 10.4120 11.7360 11.7360 12.2104 12.2104 13.3983 13.3983 13.7749 13.7749 13.8636 13.8636 22.4889 22.4889 24.7479 24.7479 25.0776 25.0776 k = 0.3092 0.2422 0.7518 ( 1235 PWs) bands (ev): -69.8462 -69.8462 -38.7254 -38.7254 -34.4746 -34.4746 -34.0074 -34.0074 -4.3698 -4.3698 9.0682 9.0682 9.2339 9.2339 10.4006 10.4006 11.7297 11.7297 12.2402 12.2402 13.4049 13.4049 13.7605 13.7605 13.8812 13.8812 22.4731 22.4731 24.6997 24.6997 25.0413 25.0413 k = 0.3158 0.2474 0.7453 ( 1237 PWs) bands (ev): -69.8462 -69.8462 -38.7253 -38.7253 -34.4743 -34.4743 -34.0074 -34.0074 -4.3681 -4.3681 9.0560 9.0560 9.2210 9.2210 10.3867 10.3867 11.7275 11.7275 12.2697 12.2697 13.4117 13.4117 13.7445 13.7445 13.9012 13.9012 22.4574 22.4574 24.6535 24.6535 25.0068 25.0068 k = 0.3224 0.2526 0.7387 ( 1233 PWs) bands (ev): -69.8462 -69.8462 -38.7252 -38.7252 -34.4740 -34.4740 -34.0074 -34.0074 -4.3661 -4.3661 9.0437 9.0437 9.2061 9.2061 10.3703 10.3703 11.7299 11.7299 12.2988 12.2988 13.4183 13.4183 13.7273 13.7273 13.9235 13.9235 22.4423 22.4423 24.6095 24.6095 24.9741 24.9741 k = 0.3289 0.2577 0.7322 ( 1235 PWs) bands (ev): -69.8463 -69.8463 -38.7250 -38.7250 -34.4737 -34.4737 -34.0074 -34.0074 -4.3640 -4.3640 9.0311 9.0311 9.1893 9.1893 10.3513 10.3513 11.7365 11.7365 12.3273 12.3273 13.4245 13.4245 13.7087 13.7087 13.9478 13.9478 22.4280 22.4280 24.5675 24.5675 24.9432 24.9432 k = 0.3355 0.2629 0.7256 ( 1237 PWs) bands (ev): -69.8463 -69.8463 -38.7249 -38.7249 -34.4734 -34.4734 -34.0074 -34.0074 -4.3616 -4.3616 9.0184 9.0184 9.1707 9.1707 10.3298 10.3298 11.7476 11.7476 12.3551 12.3551 13.4303 13.4303 13.6891 13.6891 13.9741 13.9741 22.4151 22.4151 24.5278 24.5278 24.9138 24.9138 k = 0.3421 0.2680 0.7191 ( 1237 PWs) bands (ev): -69.8464 -69.8464 -38.7247 -38.7247 -34.4730 -34.4730 -34.0074 -34.0074 -4.3591 -4.3591 9.0054 9.0054 9.1507 9.1507 10.3060 10.3060 11.7630 11.7630 12.3823 12.3823 13.4355 13.4355 13.6687 13.6687 14.0023 14.0023 22.4036 22.4036 24.4904 24.4904 24.8858 24.8858 k = 0.3487 0.2732 0.7125 ( 1239 PWs) bands (ev): -69.8464 -69.8464 -38.7245 -38.7245 -34.4726 -34.4726 -34.0074 -34.0074 -4.3564 -4.3564 8.9920 8.9920 9.1294 9.1294 10.2799 10.2799 11.7825 11.7825 12.4087 12.4087 13.4399 13.4399 13.6478 13.6478 14.0322 14.0322 22.3941 22.3941 24.4553 24.4553 24.8590 24.8590 k = 0.3553 0.2783 0.7060 ( 1237 PWs) bands (ev): -69.8465 -69.8465 -38.7243 -38.7243 -34.4722 -34.4722 -34.0074 -34.0074 -4.3535 -4.3535 8.9779 8.9779 9.1072 9.1072 10.2520 10.2520 11.8061 11.8061 12.4345 12.4345 13.4431 13.4431 13.6266 13.6266 14.0636 14.0636 22.3867 22.3867 24.4225 24.4225 24.8330 24.8330 k = 0.3618 0.2835 0.6995 ( 1241 PWs) bands (ev): -69.8466 -69.8466 -38.7241 -38.7241 -34.4718 -34.4718 -34.0074 -34.0074 -4.3504 -4.3504 8.9630 8.9630 9.0845 9.0845 10.2223 10.2223 11.8332 11.8332 12.4593 12.4593 13.4449 13.4449 13.6055 13.6055 14.0961 14.0961 22.3816 22.3816 24.3921 24.3921 24.8077 24.8077 k = 0.3684 0.2886 0.6929 ( 1243 PWs) bands (ev): -69.8466 -69.8466 -38.7239 -38.7239 -34.4713 -34.4713 -34.0074 -34.0074 -4.3471 -4.3471 8.9466 8.9466 9.0618 9.0618 10.1912 10.1912 11.8638 11.8638 12.4834 12.4834 13.4448 13.4448 13.5853 13.5853 14.1298 14.1298 22.3791 22.3791 24.3641 24.3641 24.7827 24.7827 k = 0.3750 0.2938 0.6864 ( 1239 PWs) bands (ev): -69.8467 -69.8467 -38.7237 -38.7237 -34.4708 -34.4708 -34.0074 -34.0074 -4.3437 -4.3437 8.9285 8.9285 9.0399 9.0399 10.1589 10.1589 11.8976 11.8976 12.5067 12.5067 13.4422 13.4422 13.5668 13.5668 14.1645 14.1645 22.3793 22.3793 24.3386 24.3386 24.7578 24.7578 k = 0.3816 0.2989 0.6798 ( 1243 PWs) bands (ev): -69.8468 -69.8468 -38.7235 -38.7235 -34.4703 -34.4703 -34.0074 -34.0074 -4.3401 -4.3401 8.9078 8.9078 9.0192 9.0192 10.1257 10.1257 11.9341 11.9341 12.5290 12.5290 13.4361 13.4361 13.5507 13.5507 14.1997 14.1997 22.3825 22.3825 24.3155 24.3155 24.7326 24.7326 k = 0.3882 0.3041 0.6733 ( 1246 PWs) bands (ev): -69.8468 -69.8468 -38.7232 -38.7232 -34.4698 -34.4698 -34.0075 -34.0075 -4.3364 -4.3364 8.8843 8.8843 9.0003 9.0003 10.0919 10.0919 11.9733 11.9733 12.5504 12.5504 13.4259 13.4259 13.5381 13.5381 14.2354 14.2354 22.3888 22.3888 24.2949 24.2949 24.7070 24.7070 k = 0.3947 0.3092 0.6667 ( 1248 PWs) bands (ev): -69.8469 -69.8469 -38.7230 -38.7230 -34.4692 -34.4692 -34.0075 -34.0075 -4.3325 -4.3325 8.8579 8.8579 8.9835 8.9835 10.0577 10.0577 12.0146 12.0146 12.5708 12.5708 13.4118 13.4118 13.5290 13.5290 14.2715 14.2715 22.3981 22.3981 24.2769 24.2769 24.6805 24.6805 k = 0.4013 0.3144 0.6602 ( 1246 PWs) bands (ev): -69.8470 -69.8470 -38.7227 -38.7227 -34.4686 -34.4686 -34.0076 -34.0076 -4.3284 -4.3284 8.8286 8.8286 8.9687 8.9687 10.0233 10.0233 12.0581 12.0581 12.5902 12.5902 13.3945 13.3945 13.5229 13.5229 14.3079 14.3079 22.4107 22.4107 24.2613 24.2613 24.6531 24.6531 k = 0.4079 0.3196 0.6536 ( 1248 PWs) bands (ev): -69.8471 -69.8471 -38.7224 -38.7224 -34.4680 -34.4680 -34.0076 -34.0076 -4.3243 -4.3243 8.7969 8.7969 8.9556 8.9556 9.9888 9.9888 12.1032 12.1032 12.6087 12.6087 13.3750 13.3750 13.5188 13.5188 14.3443 14.3443 22.4265 22.4265 24.2482 24.2482 24.6243 24.6243 k = 0.4145 0.3247 0.6471 ( 1249 PWs) bands (ev): -69.8472 -69.8472 -38.7222 -38.7222 -34.4674 -34.4674 -34.0076 -34.0076 -4.3201 -4.3201 8.7632 8.7632 8.9438 8.9438 9.9545 9.9545 12.1498 12.1498 12.6261 12.6261 13.3544 13.3544 13.5159 13.5159 14.3805 14.3805 22.4456 22.4456 24.2376 24.2376 24.5940 24.5940 k = 0.4211 0.3299 0.6405 ( 1245 PWs) bands (ev): -69.8472 -69.8472 -38.7219 -38.7219 -34.4667 -34.4667 -34.0077 -34.0077 -4.3157 -4.3157 8.7280 8.7280 8.9333 8.9333 9.9204 9.9204 12.1975 12.1975 12.6427 12.6427 13.3335 13.3335 13.5137 13.5137 14.4166 14.4166 22.4678 22.4678 24.2293 24.2293 24.5619 24.5619 k = 0.4276 0.3350 0.6340 ( 1247 PWs) bands (ev): -69.8473 -69.8473 -38.7216 -38.7216 -34.4660 -34.4660 -34.0077 -34.0077 -4.3113 -4.3113 8.6912 8.6912 8.9237 8.9237 9.8866 9.8866 12.2459 12.2459 12.6583 12.6583 13.3127 13.3127 13.5117 13.5117 14.4524 14.4524 22.4933 22.4933 24.2231 24.2231 24.5281 24.5281 k = 0.4342 0.3402 0.6274 ( 1249 PWs) bands (ev): -69.8474 -69.8474 -38.7213 -38.7213 -34.4653 -34.4653 -34.0078 -34.0078 -4.3069 -4.3069 8.6534 8.6534 8.9150 8.9150 9.8532 9.8532 12.2947 12.2947 12.6731 12.6731 13.2926 13.2926 13.5097 13.5097 14.4877 14.4877 22.5218 22.5218 24.2187 24.2187 24.4925 24.4925 k = 0.4408 0.3453 0.6209 ( 1247 PWs) bands (ev): -69.8475 -69.8475 -38.7209 -38.7209 -34.4646 -34.4646 -34.0079 -34.0079 -4.3024 -4.3024 8.6146 8.6146 8.9069 8.9069 9.8203 9.8203 12.3436 12.3436 12.6874 12.6874 13.2735 13.2735 13.5078 13.5078 14.5225 14.5225 22.5533 22.5533 24.2157 24.2157 24.4555 24.4555 k = 0.4474 0.3505 0.6143 ( 1245 PWs) bands (ev): -69.8476 -69.8476 -38.7206 -38.7206 -34.4639 -34.4639 -34.0079 -34.0079 -4.2979 -4.2979 8.5752 8.5752 8.8996 8.8996 9.7879 9.7879 12.3920 12.3920 12.7014 12.7014 13.2558 13.2558 13.5055 13.5055 14.5568 14.5568 22.5877 22.5877 24.2127 24.2127 24.4180 24.4180 k = 0.4539 0.3556 0.6078 ( 1245 PWs) bands (ev): -69.8477 -69.8477 -38.7203 -38.7203 -34.4631 -34.4631 -34.0080 -34.0080 -4.2933 -4.2933 8.5352 8.5352 8.8928 8.8928 9.7560 9.7560 12.4392 12.4392 12.7154 12.7154 13.2395 13.2395 13.5029 13.5029 14.5905 14.5905 22.6249 22.6249 24.2072 24.2072 24.3823 24.3823 k = 0.4605 0.3608 0.6012 ( 1241 PWs) bands (ev): -69.8478 -69.8478 -38.7199 -38.7199 -34.4623 -34.4623 -34.0080 -34.0080 -4.2888 -4.2888 8.4949 8.4949 8.8866 8.8866 9.7248 9.7248 12.4844 12.4844 12.7302 12.7302 13.2251 13.2251 13.4999 13.4999 14.6236 14.6236 22.6646 22.6646 24.1946 24.1946 24.3529 24.3529 k = 0.4671 0.3659 0.5947 ( 1241 PWs) bands (ev): -69.8479 -69.8479 -38.7196 -38.7196 -34.4615 -34.4615 -34.0081 -34.0081 -4.2844 -4.2844 8.4543 8.4543 8.8810 8.8810 9.6941 9.6941 12.5263 12.5263 12.7465 12.7465 13.2126 13.2126 13.4966 13.4966 14.6560 14.6560 22.7066 22.7066 24.1688 24.1688 24.3356 24.3356 k = 0.4737 0.3711 0.5881 ( 1245 PWs) bands (ev): -69.8480 -69.8480 -38.7192 -38.7192 -34.4607 -34.4607 -34.0082 -34.0082 -4.2800 -4.2800 8.4135 8.4135 8.8760 8.8760 9.6639 9.6639 12.5636 12.5636 12.7656 12.7656 13.2022 13.2022 13.4927 13.4927 14.6877 14.6877 22.7509 22.7509 24.1279 24.1279 24.3320 24.3320 k = 0.4803 0.3763 0.5816 ( 1245 PWs) bands (ev): -69.8481 -69.8481 -38.7188 -38.7188 -34.4599 -34.4599 -34.0082 -34.0082 -4.2757 -4.2757 8.3728 8.3728 8.8716 8.8716 9.6343 9.6343 12.5949 12.5949 12.7884 12.7884 13.1944 13.1944 13.4887 13.4887 14.7187 14.7187 22.7971 22.7971 24.0751 24.0751 24.3392 24.3392 k = 0.4868 0.3814 0.5750 ( 1247 PWs) bands (ev): -69.8482 -69.8482 -38.7184 -38.7184 -34.4590 -34.4590 -34.0083 -34.0083 -4.2716 -4.2716 8.3323 8.3323 8.8677 8.8677 9.6053 9.6053 12.6196 12.6196 12.8154 12.8154 13.1892 13.1892 13.4842 13.4842 14.7491 14.7491 22.8451 22.8451 24.0135 24.0135 24.3535 24.3535 k = 0.4934 0.3866 0.5685 ( 1250 PWs) bands (ev): -69.8484 -69.8484 -38.7180 -38.7180 -34.4581 -34.4581 -34.0083 -34.0083 -4.2675 -4.2675 8.2920 8.2920 8.8643 8.8643 9.5767 9.5767 12.6379 12.6379 12.8456 12.8456 13.1870 13.1870 13.4794 13.4794 14.7788 14.7788 22.8945 22.8945 23.9452 23.9452 24.3730 24.3730 k = 0.5000 0.3917 0.5620 ( 1256 PWs) bands (ev): -69.8485 -69.8485 -38.7177 -38.7177 -34.4572 -34.4572 -34.0084 -34.0084 -4.2637 -4.2637 8.2522 8.2522 8.8616 8.8616 9.5487 9.5487 12.6509 12.6509 12.8772 12.8772 13.1885 13.1885 13.4744 13.4744 14.8076 14.8076 22.9452 22.9452 23.8712 23.8712 24.3966 24.3966 k = 0.5000 0.3917 0.5620 ( 1256 PWs) bands (ev): -69.8485 -69.8485 -38.7177 -38.7177 -34.4572 -34.4572 -34.0084 -34.0084 -4.2637 -4.2637 8.2522 8.2522 8.8616 8.8616 9.5487 9.5487 12.6509 12.6509 12.8772 12.8772 13.1885 13.1885 13.4744 13.4744 14.8076 14.8076 22.9452 22.9452 23.8712 23.8712 24.3966 24.3966 k = 0.5000 0.3917 0.5511 ( 1254 PWs) bands (ev): -69.8487 -69.8487 -38.7170 -38.7170 -34.4557 -34.4557 -34.0084 -34.0084 -4.2577 -4.2577 8.1889 8.1889 8.8579 8.8579 9.5039 9.5039 12.6669 12.6669 12.9305 12.9305 13.1943 13.1943 13.4655 13.4655 14.8534 14.8534 23.0291 23.0291 23.7456 23.7456 24.4411 24.4411 k = 0.5000 0.3917 0.5403 ( 1254 PWs) bands (ev): -69.8489 -69.8489 -38.7163 -38.7163 -34.4541 -34.4541 -34.0085 -34.0085 -4.2522 -4.2522 8.1296 8.1296 8.8551 8.8551 9.4609 9.4609 12.6797 12.6797 12.9838 12.9838 13.1999 13.1999 13.4552 13.4552 14.8961 14.8961 23.1111 23.1111 23.6222 23.6222 24.4897 24.4897 k = 0.5000 0.3917 0.5295 ( 1254 PWs) bands (ev): -69.8491 -69.8491 -38.7155 -38.7155 -34.4525 -34.4525 -34.0086 -34.0086 -4.2473 -4.2473 8.0745 8.0745 8.8530 8.8530 9.4196 9.4196 12.6906 12.6906 13.0352 13.0352 13.2055 13.2055 13.4443 13.4443 14.9353 14.9353 23.1902 23.1902 23.5018 23.5018 24.5418 24.5418 k = 0.5000 0.3917 0.5187 ( 1250 PWs) bands (ev): -69.8493 -69.8493 -38.7148 -38.7148 -34.4508 -34.4508 -34.0086 -34.0086 -4.2431 -4.2431 8.0240 8.0240 8.8517 8.8517 9.3802 9.3802 12.7003 12.7003 13.0831 13.0831 13.2111 13.2111 13.4335 13.4335 14.9710 14.9710 23.2652 23.2652 23.3851 23.3851 24.5973 24.5973 k = 0.5000 0.3917 0.5079 ( 1244 PWs) bands (ev): -69.8495 -69.8495 -38.7140 -38.7140 -34.4491 -34.4491 -34.0087 -34.0087 -4.2396 -4.2396 7.9783 7.9783 8.8514 8.8514 9.3425 9.3425 12.7092 12.7092 13.1259 13.1259 13.2164 13.2164 13.4241 13.4241 15.0032 15.0032 23.2712 23.2712 23.3359 23.3359 24.6562 24.6562 k = 0.5000 0.3917 0.4971 ( 1244 PWs) bands (ev): -69.8497 -69.8497 -38.7132 -38.7132 -34.4474 -34.4474 -34.0088 -34.0088 -4.2369 -4.2369 7.9375 7.9375 8.8520 8.8520 9.3066 9.3066 12.7174 12.7174 13.1612 13.1612 13.2210 13.2210 13.4180 13.4180 15.0318 15.0318 23.1619 23.1619 23.3996 23.3996 24.7183 24.7183 k = 0.5000 0.3917 0.4863 ( 1248 PWs) bands (ev): -69.8499 -69.8499 -38.7125 -38.7125 -34.4457 -34.4457 -34.0088 -34.0088 -4.2350 -4.2350 7.9018 7.9018 8.8535 8.8535 9.2725 9.2725 12.7250 12.7250 13.1870 13.1870 13.2240 13.2240 13.4181 13.4181 15.0566 15.0566 23.0562 23.0562 23.4562 23.4562 24.7835 24.7835 k = 0.5000 0.3917 0.4755 ( 1244 PWs) bands (ev): -69.8502 -69.8502 -38.7117 -38.7117 -34.4439 -34.4439 -34.0089 -34.0089 -4.2340 -4.2340 7.8714 7.8714 8.8562 8.8562 9.2402 9.2402 12.7322 12.7322 13.2020 13.2020 13.2243 13.2243 13.4273 13.4273 15.0778 15.0778 22.9545 22.9545 23.5045 23.5045 24.8523 24.8523 k = 0.5000 0.3917 0.4647 ( 1244 PWs) bands (ev): -69.8504 -69.8504 -38.7109 -38.7109 -34.4420 -34.4420 -34.0090 -34.0090 -4.2340 -4.2340 7.8464 7.8464 8.8599 8.8599 9.2096 9.2096 12.7388 12.7388 13.2017 13.2017 13.2260 13.2260 13.4447 13.4447 15.0954 15.0954 22.8568 22.8568 23.5433 23.5433 24.9243 24.9243 k = 0.5000 0.3917 0.4539 ( 1252 PWs) bands (ev): -69.8506 -69.8506 -38.7101 -38.7101 -34.4402 -34.4402 -34.0090 -34.0090 -4.2348 -4.2348 7.8267 7.8267 8.8648 8.8648 9.1808 9.1808 12.7448 12.7448 13.1868 13.1868 13.2314 13.2314 13.4679 13.4679 15.1088 15.1088 22.7632 22.7632 23.5717 23.5717 24.9996 24.9996 k = 0.5000 0.3917 0.4431 ( 1252 PWs) bands (ev): -69.8509 -69.8509 -38.7092 -38.7092 -34.4384 -34.4384 -34.0091 -34.0091 -4.2367 -4.2367 7.8128 7.8128 8.8708 8.8708 9.1538 9.1538 12.7502 12.7502 13.1638 13.1638 13.2372 13.2372 13.4937 13.4937 15.1190 15.1190 22.6737 22.6737 23.5890 23.5890 25.0784 25.0784 k = 0.5000 0.3917 0.4323 ( 1256 PWs) bands (ev): -69.8511 -69.8511 -38.7084 -38.7084 -34.4365 -34.4365 -34.0092 -34.0092 -4.2395 -4.2395 7.8048 7.8048 8.8781 8.8781 9.1285 9.1285 12.7547 12.7547 13.1357 13.1357 13.2424 13.2424 13.5196 13.5196 15.1254 15.1254 22.5884 22.5884 23.5947 23.5947 25.1606 25.1606 k = 0.5000 0.3917 0.4215 ( 1252 PWs) bands (ev): -69.8514 -69.8514 -38.7076 -38.7076 -34.4346 -34.4346 -34.0092 -34.0092 -4.2434 -4.2434 7.8024 7.8024 8.8867 8.8867 9.1050 9.1050 12.7581 12.7581 13.1043 13.1043 13.2474 13.2474 13.5446 13.5446 15.1284 15.1284 22.5074 22.5074 23.5884 23.5884 25.2462 25.2462 k = 0.5000 0.3917 0.4107 ( 1252 PWs) bands (ev): -69.8516 -69.8516 -38.7067 -38.7067 -34.4327 -34.4327 -34.0093 -34.0093 -4.2482 -4.2482 7.8058 7.8058 8.8966 8.8966 9.0832 9.0832 12.7601 12.7601 13.0705 13.0705 13.2521 13.2521 13.5677 13.5677 15.1273 15.1273 22.4305 22.4305 23.5700 23.5700 25.3353 25.3353 k = 0.5000 0.3917 0.3999 ( 1244 PWs) bands (ev): -69.8518 -69.8518 -38.7059 -38.7059 -34.4308 -34.4308 -34.0093 -34.0093 -4.2540 -4.2540 7.8153 7.8153 8.9078 8.9078 9.0630 9.0630 12.7599 12.7599 13.0358 13.0358 13.2568 13.2568 13.5883 13.5883 15.1227 15.1227 22.3578 22.3578 23.5398 23.5398 25.4279 25.4279 k = 0.5000 0.3917 0.3890 ( 1244 PWs) bands (ev): -69.8521 -69.8521 -38.7050 -38.7050 -34.4289 -34.4289 -34.0094 -34.0094 -4.2609 -4.2609 7.8305 7.8305 8.9203 8.9203 9.0446 9.0446 12.7565 12.7565 13.0009 13.0009 13.2611 13.2611 13.6062 13.6062 15.1142 15.1142 22.2893 22.2893 23.4982 23.4982 25.5238 25.5238 k = 0.5000 0.3917 0.3782 ( 1244 PWs) bands (ev): -69.8523 -69.8523 -38.7042 -38.7042 -34.4269 -34.4269 -34.0095 -34.0095 -4.2686 -4.2686 7.8514 7.8514 8.9342 8.9342 9.0278 9.0278 12.7483 12.7483 12.9680 12.9680 13.2653 13.2653 13.6212 13.6212 15.1018 15.1018 22.2248 22.2248 23.4458 23.4458 25.6232 25.6232 k = 0.5000 0.3917 0.3674 ( 1244 PWs) bands (ev): -69.8525 -69.8525 -38.7033 -38.7033 -34.4250 -34.4250 -34.0095 -34.0095 -4.2773 -4.2773 7.8782 7.8782 8.9493 8.9493 9.0129 9.0129 12.7332 12.7332 12.9392 12.9392 13.2694 13.2694 13.6331 13.6331 15.0856 15.0856 22.1643 22.1643 23.3835 23.3835 25.7260 25.7260 k = 0.5000 0.3917 0.3566 ( 1244 PWs) bands (ev): -69.8528 -69.8528 -38.7025 -38.7025 -34.4231 -34.4231 -34.0096 -34.0096 -4.2869 -4.2869 7.9107 7.9107 8.9652 8.9652 9.0001 9.0001 12.7092 12.7092 12.9167 12.9167 13.2734 13.2734 13.6421 13.6421 15.0656 15.0656 22.1078 22.1078 23.3122 23.3122 25.8321 25.8321 k = 0.5000 0.3917 0.3458 ( 1244 PWs) bands (ev): -69.8530 -69.8530 -38.7016 -38.7016 -34.4212 -34.4212 -34.0096 -34.0096 -4.2974 -4.2974 7.9489 7.9489 8.9771 8.9771 8.9944 8.9944 12.6759 12.6759 12.9011 12.9011 13.2772 13.2772 13.6479 13.6479 15.0416 15.0416 22.0552 22.0552 23.2330 23.2330 25.9416 25.9416 k = 0.5000 0.3917 0.3350 ( 1244 PWs) bands (ev): -69.8532 -69.8532 -38.7008 -38.7008 -34.4194 -34.4194 -34.0096 -34.0096 -4.3086 -4.3086 7.9929 7.9929 8.9723 8.9723 9.0083 9.0083 12.6343 12.6343 12.8914 12.8914 13.2810 13.2810 13.6508 13.6508 15.0137 15.0137 22.0064 22.0064 23.1469 23.1469 26.0543 26.0543 k = 0.5000 0.3917 0.3242 ( 1240 PWs) bands (ev): -69.8535 -69.8535 -38.7000 -38.7000 -34.4175 -34.4175 -34.0097 -34.0097 -4.3206 -4.3206 8.0423 8.0423 8.9639 8.9639 9.0290 9.0290 12.5863 12.5863 12.8859 12.8859 13.2846 13.2846 13.6508 13.6508 14.9819 14.9819 21.9612 21.9612 23.0550 23.0550 26.1703 26.1703 k = 0.5000 0.3917 0.3134 ( 1244 PWs) bands (ev): -69.8537 -69.8537 -38.6992 -38.6992 -34.4156 -34.4156 -34.0097 -34.0097 -4.3332 -4.3332 8.0971 8.0971 8.9563 8.9563 9.0517 9.0517 12.5335 12.5335 12.8830 12.8830 13.2879 13.2879 13.6477 13.6477 14.9460 14.9460 21.9195 21.9195 22.9584 22.9584 26.2895 26.2895 k = 0.5000 0.3917 0.3026 ( 1248 PWs) bands (ev): -69.8539 -69.8539 -38.6984 -38.6984 -34.4138 -34.4138 -34.0098 -34.0098 -4.3464 -4.3464 8.1574 8.1574 8.9497 8.9497 9.0762 9.0762 12.4768 12.4768 12.8817 12.8817 13.2911 13.2911 13.6422 13.6422 14.9060 14.9060 21.8811 21.8811 22.8580 22.8580 26.4118 26.4118 k = 0.5000 0.3917 0.2918 ( 1244 PWs) bands (ev): -69.8541 -69.8541 -38.6976 -38.6976 -34.4120 -34.4120 -34.0098 -34.0098 -4.3602 -4.3602 8.2229 8.2229 8.9444 8.9444 9.1023 9.1023 12.4176 12.4176 12.8814 12.8814 13.2942 13.2942 13.6343 13.6343 14.8621 14.8621 21.8460 21.8460 22.7549 22.7549 26.5372 26.5372 k = 0.5000 0.3917 0.2810 ( 1244 PWs) bands (ev): -69.8543 -69.8543 -38.6968 -38.6968 -34.4103 -34.4103 -34.0098 -34.0098 -4.3744 -4.3744 8.2934 8.2934 8.9403 8.9403 9.1300 9.1300 12.3559 12.3559 12.8816 12.8816 13.2970 13.2970 13.6239 13.6239 14.8140 14.8140 21.8139 21.8139 22.6500 22.6500 26.6656 26.6656 k = 0.5000 0.3917 0.2702 ( 1244 PWs) bands (ev): -69.8546 -69.8546 -38.6961 -38.6961 -34.4085 -34.4085 -34.0099 -34.0099 -4.3890 -4.3890 8.3688 8.3688 8.9373 8.9373 9.1593 9.1593 12.2922 12.2922 12.8820 12.8820 13.2997 13.2997 13.6114 13.6114 14.7619 14.7619 21.7848 21.7848 22.5441 22.5441 26.7970 26.7970 k = 0.5000 0.3917 0.2594 ( 1244 PWs) bands (ev): -69.8548 -69.8548 -38.6953 -38.6953 -34.4068 -34.4068 -34.0099 -34.0099 -4.4039 -4.4039 8.4488 8.4488 8.9355 8.9355 9.1902 9.1902 12.2269 12.2269 12.8825 12.8825 13.3020 13.3020 13.5968 13.5968 14.7058 14.7058 21.7583 21.7583 22.4381 22.4381 26.9313 26.9313 k = 0.5000 0.3917 0.2486 ( 1244 PWs) bands (ev): -69.8550 -69.8550 -38.6946 -38.6946 -34.4052 -34.4052 -34.0099 -34.0099 -4.4190 -4.4190 8.5332 8.5332 8.9348 8.9348 9.2227 9.2227 12.1601 12.1601 12.8829 12.8829 13.3039 13.3039 13.5805 13.5805 14.6458 14.6458 21.7344 21.7344 22.3328 22.3328 27.0683 27.0683 k = 0.5000 0.3917 0.2377 ( 1244 PWs) bands (ev): -69.8552 -69.8552 -38.6939 -38.6939 -34.4036 -34.4036 -34.0100 -34.0100 -4.4342 -4.4342 8.6218 8.6218 8.9353 8.9353 9.2568 9.2568 12.0921 12.0921 12.8830 12.8830 13.3053 13.3053 13.5626 13.5626 14.5820 14.5820 21.7129 21.7129 22.2287 22.2287 27.2082 27.2082 k = 0.5000 0.3917 0.2269 ( 1242 PWs) bands (ev): -69.8553 -69.8553 -38.6932 -38.6932 -34.4020 -34.4020 -34.0100 -34.0100 -4.4494 -4.4494 8.7139 8.7139 8.9373 8.9373 9.2925 9.2925 12.0232 12.0232 12.8828 12.8828 13.3062 13.3062 13.5434 13.5434 14.5147 14.5147 21.6934 21.6934 22.1266 22.1266 27.3507 27.3507 k = 0.5000 0.3917 0.2161 ( 1240 PWs) bands (ev): -69.8555 -69.8555 -38.6926 -38.6926 -34.4005 -34.4005 -34.0100 -34.0100 -4.4646 -4.4646 8.8077 8.8077 8.9421 8.9421 9.3297 9.3297 11.9533 11.9533 12.8822 12.8822 13.3062 13.3062 13.5232 13.5232 14.4442 14.4442 21.6759 21.6759 22.0271 22.0271 27.4957 27.4957 k = 0.5000 0.3917 0.2053 ( 1240 PWs) bands (ev): -69.8557 -69.8557 -38.6919 -38.6919 -34.3991 -34.3991 -34.0100 -34.0100 -4.4797 -4.4797 8.8929 8.8929 8.9598 8.9598 9.3685 9.3685 11.8829 11.8829 12.8812 12.8812 13.3050 13.3050 13.5022 13.5022 14.3704 14.3704 21.6600 21.6600 21.9309 21.9309 27.6433 27.6433 k = 0.5000 0.3917 0.1945 ( 1240 PWs) bands (ev): -69.8559 -69.8559 -38.6913 -38.6913 -34.3977 -34.3977 -34.0100 -34.0100 -4.4946 -4.4946 8.9277 8.9277 9.0319 9.0319 9.4089 9.4089 11.8119 11.8119 12.8796 12.8796 13.3022 13.3022 13.4809 13.4809 14.2940 14.2940 21.6450 21.6450 21.8387 21.8387 27.7933 27.7933 k = 0.5000 0.3917 0.1837 ( 1240 PWs) bands (ev): -69.8560 -69.8560 -38.6907 -38.6907 -34.3963 -34.3963 -34.0101 -34.0101 -4.5091 -4.5091 8.9365 8.9365 9.1334 9.1334 9.4510 9.4510 11.7406 11.7406 12.8774 12.8774 13.2971 13.2971 13.4601 13.4601 14.2156 14.2156 21.6296 21.6296 21.7524 21.7524 27.9457 27.9457 k = 0.5000 0.3917 0.1729 ( 1238 PWs) bands (ev): -69.8562 -69.8562 -38.6902 -38.6902 -34.3950 -34.3950 -34.0101 -34.0101 -4.5233 -4.5233 8.9420 8.9420 9.2410 9.2410 9.4949 9.4949 11.6691 11.6691 12.8743 12.8743 13.2886 13.2886 13.4403 13.4403 14.1361 14.1361 21.6071 21.6071 21.6787 21.6787 28.1003 28.1003 k = 0.5000 0.3917 0.1621 ( 1238 PWs) bands (ev): -69.8563 -69.8563 -38.6897 -38.6897 -34.3938 -34.3938 -34.0101 -34.0101 -4.5370 -4.5370 8.9469 8.9469 9.3511 9.3511 9.5410 9.5410 11.5975 11.5975 12.8703 12.8703 13.2755 13.2755 13.4228 13.4228 14.0562 14.0562 21.5577 21.5577 21.6376 21.6376 28.2570 28.2570 k = 0.5000 0.3917 0.1513 ( 1234 PWs) bands (ev): -69.8564 -69.8564 -38.6891 -38.6891 -34.3927 -34.3927 -34.0101 -34.0101 -4.5502 -4.5502 8.9517 8.9517 9.4614 9.4614 9.5906 9.5906 11.5262 11.5262 12.8651 12.8651 13.2566 13.2566 13.4084 13.4084 13.9773 13.9773 21.4892 21.4892 21.6214 21.6214 28.4158 28.4158 k = 0.5000 0.3917 0.1405 ( 1234 PWs) bands (ev): -69.8566 -69.8566 -38.6887 -38.6887 -34.3916 -34.3916 -34.0101 -34.0101 -4.5629 -4.5629 8.9565 8.9565 9.5655 9.5655 9.6492 9.6492 11.4552 11.4552 12.8583 12.8583 13.2311 13.2311 13.3970 13.3970 13.9008 13.9008 21.4200 21.4200 21.6119 21.6119 28.5765 28.5765 k = 0.5000 0.3917 0.1297 ( 1234 PWs) bands (ev): -69.8567 -69.8567 -38.6882 -38.6882 -34.3906 -34.3906 -34.0101 -34.0101 -4.5748 -4.5748 8.9613 8.9613 9.6471 9.6471 9.7322 9.7322 11.3847 11.3847 12.8492 12.8492 13.1992 13.1992 13.3885 13.3885 13.8282 13.8282 21.3541 21.3541 21.6049 21.6049 28.7390 28.7390 k = 0.5000 0.3917 0.1189 ( 1238 PWs) bands (ev): -69.8568 -69.8568 -38.6878 -38.6878 -34.3896 -34.3896 -34.0101 -34.0101 -4.5861 -4.5861 8.9659 8.9659 9.7070 9.7070 9.8385 9.8385 11.3150 11.3150 12.8366 12.8366 13.1617 13.1617 13.3820 13.3820 13.7614 13.7614 21.2928 21.2928 21.5993 21.5993 28.9031 28.9031 k = 0.5000 0.3917 0.1081 ( 1242 PWs) bands (ev): -69.8569 -69.8569 -38.6875 -38.6875 -34.3888 -34.3888 -34.0101 -34.0101 -4.5966 -4.5966 8.9704 8.9704 9.7599 9.7599 9.9519 9.9519 11.2464 11.2464 12.8192 12.8192 13.1204 13.1204 13.3769 13.3769 13.7018 13.7018 21.2364 21.2364 21.5947 21.5947 29.0687 29.0687 k = 0.5000 0.3917 0.0973 ( 1242 PWs) bands (ev): -69.8570 -69.8570 -38.6871 -38.6871 -34.3880 -34.3880 -34.0102 -34.0102 -4.6062 -4.6062 8.9748 8.9748 9.8110 9.8110 10.0666 10.0666 11.1793 11.1793 12.7946 12.7946 13.0784 13.0784 13.3725 13.3725 13.6504 13.6504 21.1852 21.1852 21.5910 21.5910 29.2358 29.2358 k = 0.5000 0.3917 0.0865 ( 1238 PWs) bands (ev): -69.8571 -69.8571 -38.6868 -38.6868 -34.3873 -34.3873 -34.0102 -34.0102 -4.6150 -4.6150 8.9790 8.9790 9.8613 9.8613 10.1800 10.1800 11.1140 11.1140 12.7603 12.7603 13.0396 13.0396 13.3685 13.3685 13.6075 13.6075 21.1392 21.1392 21.5880 21.5880 29.4040 29.4040 k = 0.5000 0.3917 0.0756 ( 1238 PWs) bands (ev): -69.8571 -69.8571 -38.6865 -38.6865 -34.3866 -34.3866 -34.0102 -34.0102 -4.6228 -4.6228 8.9828 8.9828 9.9105 9.9105 10.2901 10.2901 11.0511 11.0511 12.7148 12.7148 13.0073 13.0073 13.3645 13.3645 13.5727 13.5727 21.0986 21.0986 21.5855 21.5855 29.5730 29.5730 k = 0.5000 0.3917 0.0648 ( 1238 PWs) bands (ev): -69.8572 -69.8572 -38.6863 -38.6863 -34.3861 -34.3861 -34.0102 -34.0102 -4.6297 -4.6297 8.9862 8.9862 9.9584 9.9584 10.3950 10.3950 10.9915 10.9915 12.6596 12.6596 12.9830 12.9830 13.3605 13.3605 13.5453 13.5453 21.0633 21.0633 21.5835 21.5835 29.7426 29.7426 k = 0.5000 0.3917 0.0540 ( 1234 PWs) bands (ev): -69.8572 -69.8572 -38.6861 -38.6861 -34.3856 -34.3856 -34.0102 -34.0102 -4.6355 -4.6355 8.9892 8.9892 10.0041 10.0041 10.4921 10.4921 10.9363 10.9363 12.5991 12.5991 12.9656 12.9656 13.3566 13.3566 13.5245 13.5245 21.0335 21.0335 21.5820 21.5820 29.9121 29.9121 k = 0.5000 0.3917 0.0432 ( 1230 PWs) bands (ev): -69.8573 -69.8573 -38.6859 -38.6859 -34.3852 -34.3852 -34.0102 -34.0102 -4.6404 -4.6404 8.9918 8.9918 10.0462 10.0462 10.5783 10.5783 10.8873 10.8873 12.5385 12.5385 12.9536 12.9536 13.3529 13.3529 13.5090 13.5090 21.0091 21.0091 21.5807 21.5807 30.0805 30.0805 k = 0.5000 0.3917 0.0324 ( 1228 PWs) bands (ev): -69.8573 -69.8573 -38.6858 -38.6858 -34.3849 -34.3849 -34.0102 -34.0102 -4.6442 -4.6442 8.9938 8.9938 10.0831 10.0831 10.6493 10.6493 10.8472 10.8472 12.4833 12.4833 12.9454 12.9454 13.3497 13.3497 13.4980 13.4980 20.9901 20.9901 21.5799 21.5799 30.2459 30.2459 k = 0.5000 0.3917 0.0216 ( 1224 PWs) bands (ev): -69.8573 -69.8573 -38.6857 -38.6857 -34.3847 -34.3847 -34.0102 -34.0102 -4.6469 -4.6469 8.9953 8.9953 10.1124 10.1124 10.6990 10.6990 10.8207 10.8207 12.4389 12.4389 12.9401 12.9401 13.3472 13.3472 13.4907 13.4907 20.9765 20.9765 21.5792 21.5792 30.4038 30.4038 k = 0.5000 0.3917 0.0108 ( 1224 PWs) bands (ev): -69.8573 -69.8573 -38.6856 -38.6856 -34.3846 -34.3846 -34.0102 -34.0102 -4.6485 -4.6485 8.9961 8.9961 10.1315 10.1315 10.7221 10.7221 10.8117 10.8117 12.4100 12.4100 12.9371 12.9371 13.3455 13.3455 13.4866 13.4866 20.9684 20.9684 21.5789 21.5789 30.5403 30.5403 k = 0.5000 0.3917 0.0000 ( 1224 PWs) bands (ev): -69.8573 -69.8573 -38.6856 -38.6856 -34.3845 -34.3845 -34.0102 -34.0102 -4.6491 -4.6491 8.9964 8.9964 10.1382 10.1382 10.7267 10.7267 10.8119 10.8119 12.3999 12.3999 12.9361 12.9361 13.3450 13.3450 13.4852 13.4852 20.9656 20.9656 21.5788 21.5788 30.6058 30.6058 k = 0.0000 0.0000 0.8108 ( 1246 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4758 -34.4758 -34.0074 -34.0074 -4.3893 -4.3893 8.9503 8.9503 9.7690 9.7690 10.8788 10.8788 11.1785 11.1785 12.6081 12.6081 12.9809 12.9809 13.3858 13.3858 13.7949 13.7949 21.7353 21.7353 23.9106 23.9106 27.4649 27.4649 k = 0.0083 0.0065 0.8108 ( 1246 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4758 -34.4758 -34.0074 -34.0074 -4.3893 -4.3893 8.9506 8.9506 9.7675 9.7675 10.8809 10.8809 11.1756 11.1756 12.6083 12.6083 12.9833 12.9833 13.3858 13.3858 13.7949 13.7949 21.7369 21.7369 23.9121 23.9121 27.4599 27.4599 k = 0.0167 0.0131 0.8108 ( 1246 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3892 -4.3892 8.9515 8.9515 9.7630 9.7630 10.8867 10.8867 11.1671 11.1671 12.6088 12.6088 12.9907 12.9907 13.3858 13.3858 13.7949 13.7949 21.7416 21.7416 23.9167 23.9167 27.4452 27.4452 k = 0.0250 0.0196 0.8108 ( 1246 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3890 -4.3890 8.9528 8.9528 9.7557 9.7557 10.8964 10.8964 11.1532 11.1532 12.6092 12.6092 13.0029 13.0029 13.3856 13.3856 13.7949 13.7949 21.7495 21.7495 23.9245 23.9245 27.4206 27.4206 k = 0.0333 0.0261 0.8108 ( 1246 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3888 -4.3888 8.9546 8.9546 9.7457 9.7457 10.9096 10.9096 11.1348 11.1348 12.6088 12.6088 13.0202 13.0202 13.3854 13.3854 13.7949 13.7949 21.7604 21.7604 23.9353 23.9353 27.3865 27.3865 k = 0.0417 0.0326 0.8108 ( 1246 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3885 -4.3885 8.9569 8.9569 9.7333 9.7333 10.9255 10.9255 11.1128 11.1128 12.6072 12.6072 13.0425 13.0425 13.3851 13.3851 13.7949 13.7949 21.7745 21.7745 23.9492 23.9492 27.3432 27.3432 k = 0.0500 0.0392 0.8108 ( 1246 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3881 -4.3881 8.9597 8.9597 9.7187 9.7187 10.9427 10.9427 11.0891 11.0891 12.6037 12.6037 13.0695 13.0695 13.3849 13.3849 13.7950 13.7950 21.7917 21.7917 23.9662 23.9662 27.2910 27.2910 k = 0.0583 0.0457 0.8108 ( 1238 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3877 -4.3877 8.9631 8.9631 9.7023 9.7023 10.9577 10.9577 11.0674 11.0674 12.5982 12.5982 13.1012 13.1012 13.3848 13.3848 13.7951 13.7951 21.8118 21.8118 23.9863 23.9863 27.2307 27.2307 k = 0.0667 0.0522 0.8108 ( 1238 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3873 -4.3873 8.9669 8.9669 9.6841 9.6841 10.9618 10.9618 11.0571 11.0571 12.5903 12.5903 13.1363 13.1363 13.3847 13.3847 13.7951 13.7951 21.8349 21.8349 24.0094 24.0094 27.1625 27.1625 k = 0.0750 0.0588 0.8108 ( 1238 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3868 -4.3868 8.9713 8.9713 9.6646 9.6646 10.9467 10.9467 11.0667 11.0667 12.5799 12.5799 13.1744 13.1744 13.3847 13.3847 13.7951 13.7951 21.8609 21.8609 24.0355 24.0355 27.0874 27.0874 k = 0.0833 0.0653 0.8108 ( 1238 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3862 -4.3862 8.9762 8.9762 9.6440 9.6440 10.9184 10.9184 11.0903 11.0903 12.5671 12.5671 13.2147 13.2147 13.3852 13.3852 13.7951 13.7951 21.8897 21.8897 24.0646 24.0646 27.0063 27.0063 k = 0.0917 0.0718 0.8108 ( 1240 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3857 -4.3857 8.9817 8.9817 9.6226 9.6226 10.8847 10.8847 11.1208 11.1208 12.5519 12.5519 13.2560 13.2560 13.3865 13.3865 13.7952 13.7952 21.9212 21.9212 24.0967 24.0967 26.9201 26.9201 k = 0.1000 0.0783 0.8108 ( 1240 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3851 -4.3851 8.9877 8.9877 9.6004 9.6004 10.8488 10.8488 11.1549 11.1549 12.5346 12.5346 13.2965 13.2965 13.3898 13.3898 13.7952 13.7952 21.9552 21.9552 24.1318 24.1318 26.8299 26.8300 k = 0.1083 0.0849 0.8108 ( 1240 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3844 -4.3844 8.9942 8.9942 9.5778 9.5778 10.8123 10.8123 11.1915 11.1915 12.5150 12.5150 13.3320 13.3320 13.3988 13.3988 13.7952 13.7952 21.9916 21.9916 24.1697 24.1697 26.7366 26.7366 k = 0.1167 0.0914 0.8108 ( 1240 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3838 -4.3838 9.0012 9.0012 9.5548 9.5548 10.7758 10.7758 11.2299 11.2299 12.4935 12.4935 13.3542 13.3542 13.4211 13.4211 13.7953 13.7953 22.0302 22.0302 24.2106 24.2106 26.6410 26.6410 k = 0.1250 0.0979 0.8108 ( 1242 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3832 -4.3832 9.0088 9.0088 9.5316 9.5316 10.7399 10.7399 11.2698 11.2698 12.4700 12.4700 13.3632 13.3632 13.4562 13.4562 13.7952 13.7952 22.0706 22.0706 24.2543 24.2543 26.5439 26.5439 k = 0.1333 0.1045 0.8108 ( 1238 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3825 -4.3825 9.0170 9.0170 9.5085 9.5085 10.7051 10.7051 11.3109 11.3109 12.4449 12.4449 13.3665 13.3665 13.4961 13.4961 13.7953 13.7953 22.1128 22.1128 24.3008 24.3008 26.4462 26.4462 k = 0.1417 0.1110 0.8108 ( 1234 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0074 -34.0074 -4.3819 -4.3819 9.0257 9.0257 9.4855 9.4855 10.6717 10.6717 11.3529 11.3529 12.4181 12.4181 13.3679 13.3679 13.5367 13.5367 13.7953 13.7953 22.1562 22.1562 24.3501 24.3501 26.3484 26.3484 k = 0.1500 0.1175 0.8108 ( 1238 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3812 -4.3812 9.0348 9.0348 9.4626 9.4626 10.6398 10.6398 11.3955 11.3955 12.3894 12.3894 13.3684 13.3684 13.5764 13.5764 13.7954 13.7954 22.2005 22.2005 24.4020 24.4020 26.2511 26.2511 k = 0.1583 0.1240 0.8108 ( 1238 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3806 -4.3806 9.0445 9.0445 9.4401 9.4401 10.6098 10.6098 11.4389 11.4389 12.3593 12.3593 13.3685 13.3685 13.6144 13.6144 13.7954 13.7954 22.2453 22.2453 24.4567 24.4567 26.1551 26.1551 k = 0.1667 0.1306 0.8108 ( 1244 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3801 -4.3801 9.0547 9.0547 9.4179 9.4179 10.5818 10.5818 11.4826 11.4826 12.3277 12.3277 13.3685 13.3685 13.6500 13.6500 13.7954 13.7954 22.2899 22.2899 24.5138 24.5138 26.0608 26.0608 k = 0.1750 0.1371 0.8108 ( 1244 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3795 -4.3795 9.0653 9.0653 9.3963 9.3963 10.5560 10.5560 11.5266 11.5266 12.2948 12.2948 13.3683 13.3683 13.6833 13.6833 13.7955 13.7955 22.3338 22.3338 24.5735 24.5735 25.9687 25.9687 k = 0.1833 0.1436 0.8108 ( 1242 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3790 -4.3790 9.0764 9.0764 9.3752 9.3752 10.5326 10.5326 11.5707 11.5707 12.2609 12.2609 13.3681 13.3681 13.7140 13.7140 13.7956 13.7956 22.3763 22.3763 24.6357 24.6357 25.8792 25.8792 k = 0.1917 0.1502 0.8108 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3786 -4.3786 9.0878 9.0878 9.3549 9.3549 10.5118 10.5118 11.6149 11.6149 12.2260 12.2260 13.3679 13.3679 13.7416 13.7416 13.7957 13.7957 22.4167 22.4167 24.7002 24.7002 25.7922 25.7922 k = 0.2000 0.1567 0.8108 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3782 -4.3782 9.0995 9.0995 9.3355 9.3355 10.4935 10.4935 11.6586 11.6586 12.1901 12.1901 13.3677 13.3677 13.7656 13.7656 13.7960 13.7960 22.4540 22.4540 24.7669 24.7669 25.7077 25.7077 k = 0.2083 0.1632 0.8108 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3778 -4.3778 9.1112 9.1112 9.3171 9.3171 10.4778 10.4778 11.7017 11.7017 12.1536 12.1536 13.3675 13.3675 13.7853 13.7853 13.7971 13.7971 22.4876 22.4876 24.8355 24.8355 25.6252 25.6252 k = 0.2167 0.1697 0.8108 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3775 -4.3775 9.1227 9.1227 9.3002 9.3002 10.4649 10.4649 11.7438 11.7438 12.1170 12.1170 13.3673 13.3673 13.7937 13.7937 13.8059 13.8059 22.5165 22.5165 24.9059 24.9059 25.5444 25.5444 k = 0.2250 0.1763 0.8108 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3773 -4.3773 9.1334 9.1334 9.2851 9.2851 10.4547 10.4547 11.7840 11.7840 12.0813 12.0813 13.3673 13.3673 13.7947 13.7947 13.8184 13.8184 22.5400 22.5400 24.9774 24.9774 25.4652 25.4652 k = 0.2333 0.1828 0.8108 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3771 -4.3771 9.1427 9.1427 9.2728 9.2728 10.4474 10.4474 11.8205 11.8205 12.0479 12.0479 13.3672 13.3672 13.7949 13.7949 13.8279 13.8279 22.5573 22.5573 25.0487 25.0487 25.3885 25.3885 k = 0.2417 0.1893 0.8108 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3770 -4.3770 9.1492 9.1492 9.2644 9.2644 10.4431 10.4431 11.8490 11.8490 12.0212 12.0212 13.3671 13.3671 13.7950 13.7950 13.8337 13.8337 22.5680 22.5680 25.1155 25.1155 25.3186 25.3186 k = 0.2500 0.1959 0.8108 ( 1236 PWs) bands (ev): -69.8460 -69.8460 -38.7260 -38.7260 -34.4757 -34.4757 -34.0075 -34.0075 -4.3770 -4.3770 9.1516 9.1516 9.2615 9.2615 10.4416 10.4416 11.8606 11.8606 12.0102 12.0102 13.3671 13.3671 13.7950 13.7950 13.8357 13.8357 22.5716 22.5716 25.1525 25.1525 25.2804 25.2804 Writing output data file PdO.save init_run : 0.14s CPU 0.29s WALL ( 1 calls) electrons : 52.62s CPU 54.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 52.61s CPU 54.18s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 518 calls) cegterg : 48.77s CPU 49.90s WALL ( 554 calls) Called by sum_band: Called by *egterg: h_psi : 22.26s CPU 22.91s WALL ( 8425 calls) s_psi : 0.84s CPU 0.81s WALL ( 8425 calls) g_psi : 0.05s CPU 0.06s WALL ( 7353 calls) cdiaghg : 24.45s CPU 25.18s WALL ( 7871 calls) cegterg:over : 1.76s CPU 1.64s WALL ( 7353 calls) cegterg:upda : 1.08s CPU 1.09s WALL ( 7353 calls) cegterg:last : 0.60s CPU 0.71s WALL ( 1571 calls) cdiaghg:chol : 1.24s CPU 1.26s WALL ( 7871 calls) cdiaghg:inve : 0.55s CPU 0.57s WALL ( 7871 calls) cdiaghg:para : 1.60s CPU 1.49s WALL ( 15742 calls) Called by h_psi: h_psi:vloc : 20.27s CPU 20.96s WALL ( 8425 calls) h_psi:vnl : 1.94s CPU 1.91s WALL ( 8425 calls) add_vuspsi : 1.13s CPU 1.03s WALL ( 8425 calls) General routines calbec : 0.79s CPU 0.86s WALL ( 8425 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 18.20s CPU 18.89s WALL ( 584432 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.12s WALL ( 1036 calls) Parallel routines fft_scatter : 11.20s CPU 11.76s WALL ( 584455 calls) PWSCF : 1m 4.04s CPU 1m43.43s WALL This run was terminated on: 21: 6:35 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=