Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:11: 9 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: ./BaO2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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 28 16 5 626 272 46 Max 30 17 7 629 285 51 Sum 1027 599 185 22591 10003 1759 bravais-lattice index = 14 lattice parameter (alat) = 6.5646 a.u. unit-cell volume = 229.9486 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.564615 celldm(2)= 1.000000 celldm(3)= 0.875802 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.372318 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.372318 0.928105 0.000000 ) a(3) = ( 0.000000 0.000000 0.875802 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.401160 -0.000000 ) b(2) = ( 0.000000 1.077464 -0.000000 ) b(3) = ( 0.000000 0.000000 1.141811 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 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 ) ( 0 0 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 ) ( 0 0 -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= 558 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017921 k( 2) = ( 0.0061754 0.0091310 -0.0000000), wk = 0.0017921 k( 3) = ( 0.0123507 0.0182621 -0.0000000), wk = 0.0017921 k( 4) = ( 0.0185261 0.0273932 -0.0000000), wk = 0.0017921 k( 5) = ( 0.0247015 0.0365242 -0.0000000), wk = 0.0017921 k( 6) = ( 0.0308769 0.0456553 -0.0000000), wk = 0.0017921 k( 7) = ( 0.0370522 0.0547863 -0.0000000), wk = 0.0017921 k( 8) = ( 0.0432276 0.0639174 -0.0000000), wk = 0.0017921 k( 9) = ( 0.0494030 0.0730484 -0.0000000), wk = 0.0017921 k( 10) = ( 0.0555783 0.0821795 -0.0000000), wk = 0.0017921 k( 11) = ( 0.0617537 0.0913105 -0.0000000), wk = 0.0017921 k( 12) = ( 0.0679291 0.1004416 -0.0000000), wk = 0.0017921 k( 13) = ( 0.0741045 0.1095726 -0.0000000), wk = 0.0017921 k( 14) = ( 0.0802798 0.1187037 -0.0000000), wk = 0.0017921 k( 15) = ( 0.0864552 0.1278347 -0.0000000), wk = 0.0017921 k( 16) = ( 0.0926306 0.1369658 -0.0000000), wk = 0.0017921 k( 17) = ( 0.0988060 0.1460968 -0.0000000), wk = 0.0017921 k( 18) = ( 0.1049813 0.1552279 -0.0000000), wk = 0.0017921 k( 19) = ( 0.1111567 0.1643589 -0.0000000), wk = 0.0017921 k( 20) = ( 0.1173321 0.1734900 -0.0000000), wk = 0.0017921 k( 21) = ( 0.1235074 0.1826211 -0.0000000), wk = 0.0017921 k( 22) = ( 0.1296828 0.1917521 -0.0000000), wk = 0.0017921 k( 23) = ( 0.1358582 0.2008832 -0.0000000), wk = 0.0017921 k( 24) = ( 0.1420336 0.2100142 -0.0000000), wk = 0.0017921 k( 25) = ( 0.1482089 0.2191453 -0.0000000), wk = 0.0017921 k( 26) = ( 0.1543843 0.2282763 -0.0000000), wk = 0.0017921 k( 27) = ( 0.1605597 0.2374074 -0.0000000), wk = 0.0017921 k( 28) = ( 0.1667350 0.2465384 -0.0000000), wk = 0.0017921 k( 29) = ( 0.1729104 0.2556695 -0.0000000), wk = 0.0017921 k( 30) = ( 0.1790858 0.2648005 -0.0000000), wk = 0.0017921 k( 31) = ( 0.1852612 0.2739316 -0.0000000), wk = 0.0017921 k( 32) = ( 0.1914365 0.2830626 -0.0000000), wk = 0.0017921 k( 33) = ( 0.1976119 0.2921937 -0.0000000), wk = 0.0017921 k( 34) = ( 0.2037873 0.3013247 -0.0000000), wk = 0.0017921 k( 35) = ( 0.2099626 0.3104558 -0.0000000), wk = 0.0017921 k( 36) = ( 0.2161380 0.3195868 -0.0000000), wk = 0.0017921 k( 37) = ( 0.2223134 0.3287179 -0.0000000), wk = 0.0017921 k( 38) = ( 0.2284888 0.3378489 -0.0000000), wk = 0.0017921 k( 39) = ( 0.2346641 0.3469800 -0.0000000), wk = 0.0017921 k( 40) = ( 0.2408395 0.3561110 -0.0000000), wk = 0.0017921 k( 41) = ( 0.2470149 0.3652421 -0.0000000), wk = 0.0017921 k( 42) = ( 0.2531903 0.3743732 -0.0000000), wk = 0.0017921 k( 43) = ( 0.2593656 0.3835042 -0.0000000), wk = 0.0017921 k( 44) = ( 0.2655410 0.3926353 -0.0000000), wk = 0.0017921 k( 45) = ( 0.2717164 0.4017663 -0.0000000), wk = 0.0017921 k( 46) = ( 0.2778917 0.4108974 -0.0000000), wk = 0.0017921 k( 47) = ( 0.2840671 0.4200284 -0.0000000), wk = 0.0017921 k( 48) = ( 0.2902425 0.4291595 -0.0000000), wk = 0.0017921 k( 49) = ( 0.2964178 0.4382905 -0.0000000), wk = 0.0017921 k( 50) = ( 0.3025932 0.4474216 -0.0000000), wk = 0.0017921 k( 51) = ( 0.3087686 0.4565526 -0.0000000), wk = 0.0017921 k( 52) = ( 0.3149440 0.4656837 -0.0000000), wk = 0.0017921 k( 53) = ( 0.3211193 0.4748147 -0.0000000), wk = 0.0017921 k( 54) = ( 0.3272947 0.4839458 -0.0000000), wk = 0.0017921 k( 55) = ( 0.3334701 0.4930768 -0.0000000), wk = 0.0017921 k( 56) = ( 0.3396455 0.5022079 -0.0000000), wk = 0.0017921 k( 57) = ( 0.3458208 0.5113389 -0.0000000), wk = 0.0017921 k( 58) = ( 0.3519962 0.5204700 -0.0000000), wk = 0.0017921 k( 59) = ( 0.3581716 0.5296010 -0.0000000), wk = 0.0017921 k( 60) = ( 0.3643469 0.5387321 -0.0000000), wk = 0.0017921 k( 61) = ( 0.3643469 0.5387321 -0.0000000), wk = 0.0017921 k( 62) = ( 0.3533061 0.5387321 -0.0000000), wk = 0.0017921 k( 63) = ( 0.3422653 0.5387321 -0.0000000), wk = 0.0017921 k( 64) = ( 0.3312245 0.5387321 -0.0000000), wk = 0.0017921 k( 65) = ( 0.3201837 0.5387321 -0.0000000), wk = 0.0017921 k( 66) = ( 0.3091429 0.5387321 -0.0000000), wk = 0.0017921 k( 67) = ( 0.2981020 0.5387321 -0.0000000), wk = 0.0017921 k( 68) = ( 0.2870612 0.5387321 -0.0000000), wk = 0.0017921 k( 69) = ( 0.2760204 0.5387321 -0.0000000), wk = 0.0017921 k( 70) = ( 0.2649796 0.5387321 -0.0000000), wk = 0.0017921 k( 71) = ( 0.2539388 0.5387321 -0.0000000), wk = 0.0017921 k( 72) = ( 0.2428980 0.5387321 -0.0000000), wk = 0.0017921 k( 73) = ( 0.2318572 0.5387321 -0.0000000), wk = 0.0017921 k( 74) = ( 0.2208163 0.5387321 -0.0000000), wk = 0.0017921 k( 75) = ( 0.2097755 0.5387321 -0.0000000), wk = 0.0017921 k( 76) = ( 0.1987347 0.5387321 -0.0000000), wk = 0.0017921 k( 77) = ( 0.1876939 0.5387321 -0.0000000), wk = 0.0017921 k( 78) = ( 0.1766531 0.5387321 -0.0000000), wk = 0.0017921 k( 79) = ( 0.1656122 0.5387321 -0.0000000), wk = 0.0017921 k( 80) = ( 0.1545714 0.5387321 -0.0000000), wk = 0.0017921 k( 81) = ( 0.1435306 0.5387321 -0.0000000), wk = 0.0017921 k( 82) = ( 0.1324898 0.5387321 -0.0000000), wk = 0.0017921 k( 83) = ( 0.1214490 0.5387321 -0.0000000), wk = 0.0017921 k( 84) = ( 0.1104082 0.5387321 -0.0000000), wk = 0.0017921 k( 85) = ( 0.0993673 0.5387321 -0.0000000), wk = 0.0017921 k( 86) = ( 0.0883265 0.5387321 -0.0000000), wk = 0.0017921 k( 87) = ( 0.0772857 0.5387321 -0.0000000), wk = 0.0017921 k( 88) = ( 0.0662449 0.5387321 -0.0000000), wk = 0.0017921 k( 89) = ( 0.0552041 0.5387321 -0.0000000), wk = 0.0017921 k( 90) = ( 0.0441633 0.5387321 -0.0000000), wk = 0.0017921 k( 91) = ( 0.0331224 0.5387321 -0.0000000), wk = 0.0017921 k( 92) = ( 0.0220816 0.5387321 -0.0000000), wk = 0.0017921 k( 93) = ( 0.0110408 0.5387321 -0.0000000), wk = 0.0017921 k( 94) = ( 0.0000000 0.5387321 -0.0000000), wk = 0.0017921 k( 95) = ( 0.0000000 0.5387321 -0.0000000), wk = 0.0017921 k( 96) = ( 0.0000000 0.5387321 0.0109789), wk = 0.0017921 k( 97) = ( 0.0000000 0.5387321 0.0219579), wk = 0.0017921 k( 98) = ( 0.0000000 0.5387321 0.0329368), wk = 0.0017921 k( 99) = ( 0.0000000 0.5387321 0.0439158), wk = 0.0017921 k( 100) = ( 0.0000000 0.5387321 0.0548947), wk = 0.0017921 k( 101) = ( 0.0000000 0.5387321 0.0658737), wk = 0.0017921 k( 102) = ( 0.0000000 0.5387321 0.0768526), wk = 0.0017921 k( 103) = ( 0.0000000 0.5387321 0.0878316), wk = 0.0017921 k( 104) = ( 0.0000000 0.5387321 0.0988105), wk = 0.0017921 k( 105) = ( 0.0000000 0.5387321 0.1097895), wk = 0.0017921 k( 106) = ( 0.0000000 0.5387321 0.1207684), wk = 0.0017921 k( 107) = ( 0.0000000 0.5387321 0.1317474), wk = 0.0017921 k( 108) = ( 0.0000000 0.5387321 0.1427263), wk = 0.0017921 k( 109) = ( 0.0000000 0.5387321 0.1537053), wk = 0.0017921 k( 110) = ( 0.0000000 0.5387321 0.1646842), wk = 0.0017921 k( 111) = ( 0.0000000 0.5387321 0.1756632), wk = 0.0017921 k( 112) = ( 0.0000000 0.5387321 0.1866421), wk = 0.0017921 k( 113) = ( 0.0000000 0.5387321 0.1976211), wk = 0.0017921 k( 114) = ( 0.0000000 0.5387321 0.2086000), wk = 0.0017921 k( 115) = ( 0.0000000 0.5387321 0.2195790), wk = 0.0017921 k( 116) = ( 0.0000000 0.5387321 0.2305579), wk = 0.0017921 k( 117) = ( 0.0000000 0.5387321 0.2415369), wk = 0.0017921 k( 118) = ( 0.0000000 0.5387321 0.2525158), wk = 0.0017921 k( 119) = ( 0.0000000 0.5387321 0.2634948), wk = 0.0017921 k( 120) = ( 0.0000000 0.5387321 0.2744737), wk = 0.0017921 k( 121) = ( 0.0000000 0.5387321 0.2854527), wk = 0.0017921 k( 122) = ( 0.0000000 0.5387321 0.2964316), wk = 0.0017921 k( 123) = ( 0.0000000 0.5387321 0.3074106), wk = 0.0017921 k( 124) = ( 0.0000000 0.5387321 0.3183895), wk = 0.0017921 k( 125) = ( 0.0000000 0.5387321 0.3293685), wk = 0.0017921 k( 126) = ( 0.0000000 0.5387321 0.3403474), wk = 0.0017921 k( 127) = ( 0.0000000 0.5387321 0.3513264), wk = 0.0017921 k( 128) = ( 0.0000000 0.5387321 0.3623053), wk = 0.0017921 k( 129) = ( 0.0000000 0.5387321 0.3732843), wk = 0.0017921 k( 130) = ( 0.0000000 0.5387321 0.3842632), wk = 0.0017921 k( 131) = ( 0.0000000 0.5387321 0.3952422), wk = 0.0017921 k( 132) = ( 0.0000000 0.5387321 0.4062211), wk = 0.0017921 k( 133) = ( 0.0000000 0.5387321 0.4172001), wk = 0.0017921 k( 134) = ( 0.0000000 0.5387321 0.4281790), wk = 0.0017921 k( 135) = ( 0.0000000 0.5387321 0.4391580), wk = 0.0017921 k( 136) = ( 0.0000000 0.5387321 0.4501369), wk = 0.0017921 k( 137) = ( 0.0000000 0.5387321 0.4611159), wk = 0.0017921 k( 138) = ( 0.0000000 0.5387321 0.4720948), wk = 0.0017921 k( 139) = ( 0.0000000 0.5387321 0.4830738), wk = 0.0017921 k( 140) = ( 0.0000000 0.5387321 0.4940527), wk = 0.0017921 k( 141) = ( 0.0000000 0.5387321 0.5050317), wk = 0.0017921 k( 142) = ( 0.0000000 0.5387321 0.5160106), wk = 0.0017921 k( 143) = ( 0.0000000 0.5387321 0.5269896), wk = 0.0017921 k( 144) = ( 0.0000000 0.5387321 0.5379685), wk = 0.0017921 k( 145) = ( 0.0000000 0.5387321 0.5489475), wk = 0.0017921 k( 146) = ( 0.0000000 0.5387321 0.5599264), wk = 0.0017921 k( 147) = ( 0.0000000 0.5387321 0.5709054), wk = 0.0017921 k( 148) = ( 0.0000000 0.5387321 0.5709054), wk = 0.0017921 k( 149) = ( 0.0110408 0.5387321 0.5709054), wk = 0.0017921 k( 150) = ( 0.0220816 0.5387321 0.5709054), wk = 0.0017921 k( 151) = ( 0.0331224 0.5387321 0.5709054), wk = 0.0017921 k( 152) = ( 0.0441633 0.5387321 0.5709054), wk = 0.0017921 k( 153) = ( 0.0552041 0.5387321 0.5709054), wk = 0.0017921 k( 154) = ( 0.0662449 0.5387321 0.5709054), wk = 0.0017921 k( 155) = ( 0.0772857 0.5387321 0.5709054), wk = 0.0017921 k( 156) = ( 0.0883265 0.5387321 0.5709054), wk = 0.0017921 k( 157) = ( 0.0993673 0.5387321 0.5709054), wk = 0.0017921 k( 158) = ( 0.1104082 0.5387321 0.5709054), wk = 0.0017921 k( 159) = ( 0.1214490 0.5387321 0.5709054), wk = 0.0017921 k( 160) = ( 0.1324898 0.5387321 0.5709054), wk = 0.0017921 k( 161) = ( 0.1435306 0.5387321 0.5709054), wk = 0.0017921 k( 162) = ( 0.1545714 0.5387321 0.5709054), wk = 0.0017921 k( 163) = ( 0.1656122 0.5387321 0.5709054), wk = 0.0017921 k( 164) = ( 0.1766531 0.5387321 0.5709054), wk = 0.0017921 k( 165) = ( 0.1876939 0.5387321 0.5709054), wk = 0.0017921 k( 166) = ( 0.1987347 0.5387321 0.5709054), wk = 0.0017921 k( 167) = ( 0.2097755 0.5387321 0.5709054), wk = 0.0017921 k( 168) = ( 0.2208163 0.5387321 0.5709054), wk = 0.0017921 k( 169) = ( 0.2318572 0.5387321 0.5709054), wk = 0.0017921 k( 170) = ( 0.2428980 0.5387321 0.5709054), wk = 0.0017921 k( 171) = ( 0.2539388 0.5387321 0.5709054), wk = 0.0017921 k( 172) = ( 0.2649796 0.5387321 0.5709054), wk = 0.0017921 k( 173) = ( 0.2760204 0.5387321 0.5709054), wk = 0.0017921 k( 174) = ( 0.2870612 0.5387321 0.5709054), wk = 0.0017921 k( 175) = ( 0.2981020 0.5387321 0.5709054), wk = 0.0017921 k( 176) = ( 0.3091429 0.5387321 0.5709054), wk = 0.0017921 k( 177) = ( 0.3201837 0.5387321 0.5709054), wk = 0.0017921 k( 178) = ( 0.3312245 0.5387321 0.5709054), wk = 0.0017921 k( 179) = ( 0.3422653 0.5387321 0.5709054), wk = 0.0017921 k( 180) = ( 0.3533061 0.5387321 0.5709054), wk = 0.0017921 k( 181) = ( 0.3643469 0.5387321 0.5709054), wk = 0.0017921 k( 182) = ( 0.3643469 0.5387321 0.5709054), wk = 0.0017921 k( 183) = ( 0.3581716 0.5296010 0.5709054), wk = 0.0017921 k( 184) = ( 0.3519962 0.5204700 0.5709054), wk = 0.0017921 k( 185) = ( 0.3458208 0.5113389 0.5709054), wk = 0.0017921 k( 186) = ( 0.3396455 0.5022079 0.5709054), wk = 0.0017921 k( 187) = ( 0.3334701 0.4930768 0.5709054), wk = 0.0017921 k( 188) = ( 0.3272947 0.4839458 0.5709054), wk = 0.0017921 k( 189) = ( 0.3211193 0.4748147 0.5709054), wk = 0.0017921 k( 190) = ( 0.3149440 0.4656837 0.5709054), wk = 0.0017921 k( 191) = ( 0.3087686 0.4565526 0.5709054), wk = 0.0017921 k( 192) = ( 0.3025932 0.4474216 0.5709054), wk = 0.0017921 k( 193) = ( 0.2964178 0.4382905 0.5709054), wk = 0.0017921 k( 194) = ( 0.2902425 0.4291595 0.5709054), wk = 0.0017921 k( 195) = ( 0.2840671 0.4200284 0.5709054), wk = 0.0017921 k( 196) = ( 0.2778917 0.4108974 0.5709054), wk = 0.0017921 k( 197) = ( 0.2717164 0.4017663 0.5709054), wk = 0.0017921 k( 198) = ( 0.2655410 0.3926353 0.5709054), wk = 0.0017921 k( 199) = ( 0.2593656 0.3835042 0.5709054), wk = 0.0017921 k( 200) = ( 0.2531903 0.3743732 0.5709054), wk = 0.0017921 k( 201) = ( 0.2470149 0.3652421 0.5709054), wk = 0.0017921 k( 202) = ( 0.2408395 0.3561110 0.5709054), wk = 0.0017921 k( 203) = ( 0.2346641 0.3469800 0.5709054), wk = 0.0017921 k( 204) = ( 0.2284888 0.3378489 0.5709054), wk = 0.0017921 k( 205) = ( 0.2223134 0.3287179 0.5709054), wk = 0.0017921 k( 206) = ( 0.2161380 0.3195868 0.5709054), wk = 0.0017921 k( 207) = ( 0.2099626 0.3104558 0.5709054), wk = 0.0017921 k( 208) = ( 0.2037873 0.3013247 0.5709054), wk = 0.0017921 k( 209) = ( 0.1976119 0.2921937 0.5709054), wk = 0.0017921 k( 210) = ( 0.1914365 0.2830626 0.5709054), wk = 0.0017921 k( 211) = ( 0.1852612 0.2739316 0.5709054), wk = 0.0017921 k( 212) = ( 0.1790858 0.2648005 0.5709054), wk = 0.0017921 k( 213) = ( 0.1729104 0.2556695 0.5709054), wk = 0.0017921 k( 214) = ( 0.1667350 0.2465384 0.5709054), wk = 0.0017921 k( 215) = ( 0.1605597 0.2374074 0.5709054), wk = 0.0017921 k( 216) = ( 0.1543843 0.2282763 0.5709054), wk = 0.0017921 k( 217) = ( 0.1482089 0.2191453 0.5709054), wk = 0.0017921 k( 218) = ( 0.1420336 0.2100142 0.5709054), wk = 0.0017921 k( 219) = ( 0.1358582 0.2008832 0.5709054), wk = 0.0017921 k( 220) = ( 0.1296828 0.1917521 0.5709054), wk = 0.0017921 k( 221) = ( 0.1235074 0.1826211 0.5709054), wk = 0.0017921 k( 222) = ( 0.1173321 0.1734900 0.5709054), wk = 0.0017921 k( 223) = ( 0.1111567 0.1643589 0.5709054), wk = 0.0017921 k( 224) = ( 0.1049813 0.1552279 0.5709054), wk = 0.0017921 k( 225) = ( 0.0988060 0.1460968 0.5709054), wk = 0.0017921 k( 226) = ( 0.0926306 0.1369658 0.5709054), wk = 0.0017921 k( 227) = ( 0.0864552 0.1278347 0.5709054), wk = 0.0017921 k( 228) = ( 0.0802798 0.1187037 0.5709054), wk = 0.0017921 k( 229) = ( 0.0741045 0.1095726 0.5709054), wk = 0.0017921 k( 230) = ( 0.0679291 0.1004416 0.5709054), wk = 0.0017921 k( 231) = ( 0.0617537 0.0913105 0.5709054), wk = 0.0017921 k( 232) = ( 0.0555783 0.0821795 0.5709054), wk = 0.0017921 k( 233) = ( 0.0494030 0.0730484 0.5709054), wk = 0.0017921 k( 234) = ( 0.0432276 0.0639174 0.5709054), wk = 0.0017921 k( 235) = ( 0.0370522 0.0547863 0.5709054), wk = 0.0017921 k( 236) = ( 0.0308769 0.0456553 0.5709054), wk = 0.0017921 k( 237) = ( 0.0247015 0.0365242 0.5709054), wk = 0.0017921 k( 238) = ( 0.0185261 0.0273932 0.5709054), wk = 0.0017921 k( 239) = ( 0.0123507 0.0182621 0.5709054), wk = 0.0017921 k( 240) = ( 0.0061754 0.0091310 0.5709054), wk = 0.0017921 k( 241) = ( 0.0000000 0.0000000 0.5709054), wk = 0.0017921 k( 242) = ( 0.0000000 0.0000000 0.5709054), wk = 0.0017921 k( 243) = ( 0.0000000 0.0000000 0.5599264), wk = 0.0017921 k( 244) = ( 0.0000000 0.0000000 0.5489475), wk = 0.0017921 k( 245) = ( 0.0000000 0.0000000 0.5379685), wk = 0.0017921 k( 246) = ( 0.0000000 0.0000000 0.5269896), wk = 0.0017921 k( 247) = ( 0.0000000 0.0000000 0.5160106), wk = 0.0017921 k( 248) = ( 0.0000000 0.0000000 0.5050317), wk = 0.0017921 k( 249) = ( 0.0000000 0.0000000 0.4940527), wk = 0.0017921 k( 250) = ( 0.0000000 0.0000000 0.4830738), wk = 0.0017921 k( 251) = ( 0.0000000 0.0000000 0.4720948), wk = 0.0017921 k( 252) = ( 0.0000000 0.0000000 0.4611159), wk = 0.0017921 k( 253) = ( 0.0000000 0.0000000 0.4501369), wk = 0.0017921 k( 254) = ( 0.0000000 0.0000000 0.4391580), wk = 0.0017921 k( 255) = ( 0.0000000 0.0000000 0.4281790), wk = 0.0017921 k( 256) = ( 0.0000000 0.0000000 0.4172001), wk = 0.0017921 k( 257) = ( 0.0000000 0.0000000 0.4062211), wk = 0.0017921 k( 258) = ( 0.0000000 0.0000000 0.3952422), wk = 0.0017921 k( 259) = ( 0.0000000 0.0000000 0.3842632), wk = 0.0017921 k( 260) = ( 0.0000000 0.0000000 0.3732843), wk = 0.0017921 k( 261) = ( 0.0000000 0.0000000 0.3623053), wk = 0.0017921 k( 262) = ( 0.0000000 0.0000000 0.3513264), wk = 0.0017921 k( 263) = ( 0.0000000 0.0000000 0.3403474), wk = 0.0017921 k( 264) = ( 0.0000000 0.0000000 0.3293685), wk = 0.0017921 k( 265) = ( 0.0000000 0.0000000 0.3183895), wk = 0.0017921 k( 266) = ( 0.0000000 0.0000000 0.3074106), wk = 0.0017921 k( 267) = ( 0.0000000 0.0000000 0.2964316), wk = 0.0017921 k( 268) = ( 0.0000000 0.0000000 0.2854527), wk = 0.0017921 k( 269) = ( 0.0000000 0.0000000 0.2744737), wk = 0.0017921 k( 270) = ( 0.0000000 0.0000000 0.2634948), wk = 0.0017921 k( 271) = ( 0.0000000 0.0000000 0.2525158), wk = 0.0017921 k( 272) = ( 0.0000000 0.0000000 0.2415369), wk = 0.0017921 k( 273) = ( 0.0000000 0.0000000 0.2305579), wk = 0.0017921 k( 274) = ( 0.0000000 0.0000000 0.2195790), wk = 0.0017921 k( 275) = ( 0.0000000 0.0000000 0.2086000), wk = 0.0017921 k( 276) = ( 0.0000000 0.0000000 0.1976211), wk = 0.0017921 k( 277) = ( 0.0000000 0.0000000 0.1866421), wk = 0.0017921 k( 278) = ( 0.0000000 0.0000000 0.1756632), wk = 0.0017921 k( 279) = ( 0.0000000 0.0000000 0.1646842), wk = 0.0017921 k( 280) = ( 0.0000000 0.0000000 0.1537053), wk = 0.0017921 k( 281) = ( 0.0000000 0.0000000 0.1427263), wk = 0.0017921 k( 282) = ( 0.0000000 0.0000000 0.1317474), wk = 0.0017921 k( 283) = ( 0.0000000 0.0000000 0.1207684), wk = 0.0017921 k( 284) = ( 0.0000000 0.0000000 0.1097895), wk = 0.0017921 k( 285) = ( 0.0000000 0.0000000 0.0988105), wk = 0.0017921 k( 286) = ( 0.0000000 0.0000000 0.0878316), wk = 0.0017921 k( 287) = ( 0.0000000 0.0000000 0.0768526), wk = 0.0017921 k( 288) = ( 0.0000000 0.0000000 0.0658737), wk = 0.0017921 k( 289) = ( 0.0000000 0.0000000 0.0548947), wk = 0.0017921 k( 290) = ( 0.0000000 0.0000000 0.0439158), wk = 0.0017921 k( 291) = ( 0.0000000 0.0000000 0.0329368), wk = 0.0017921 k( 292) = ( 0.0000000 0.0000000 0.0219579), wk = 0.0017921 k( 293) = ( 0.0000000 0.0000000 0.0109789), wk = 0.0017921 k( 294) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017921 k( 295) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017921 k( 296) = ( -0.0090909 0.0061482 0.0000000), wk = 0.0017921 k( 297) = ( -0.0181818 0.0122964 0.0000000), wk = 0.0017921 k( 298) = ( -0.0272727 0.0184447 0.0000000), wk = 0.0017921 k( 299) = ( -0.0363636 0.0245929 0.0000000), wk = 0.0017921 k( 300) = ( -0.0454546 0.0307411 0.0000000), wk = 0.0017921 k( 301) = ( -0.0545455 0.0368893 0.0000000), wk = 0.0017921 k( 302) = ( -0.0636364 0.0430376 0.0000000), wk = 0.0017921 k( 303) = ( -0.0727273 0.0491858 0.0000000), wk = 0.0017921 k( 304) = ( -0.0818182 0.0553340 0.0000000), wk = 0.0017921 k( 305) = ( -0.0909091 0.0614822 0.0000000), wk = 0.0017921 k( 306) = ( -0.1000000 0.0676304 0.0000000), wk = 0.0017921 k( 307) = ( -0.1090909 0.0737787 0.0000000), wk = 0.0017921 k( 308) = ( -0.1181818 0.0799269 0.0000000), wk = 0.0017921 k( 309) = ( -0.1272727 0.0860751 0.0000000), wk = 0.0017921 k( 310) = ( -0.1363636 0.0922233 0.0000000), wk = 0.0017921 k( 311) = ( -0.1454545 0.0983716 0.0000000), wk = 0.0017921 k( 312) = ( -0.1545455 0.1045198 0.0000000), wk = 0.0017921 k( 313) = ( -0.1636364 0.1106680 0.0000000), wk = 0.0017921 k( 314) = ( -0.1727273 0.1168162 0.0000000), wk = 0.0017921 k( 315) = ( -0.1818182 0.1229645 0.0000000), wk = 0.0017921 k( 316) = ( -0.1909091 0.1291127 0.0000000), wk = 0.0017921 k( 317) = ( -0.2000000 0.1352609 0.0000000), wk = 0.0017921 k( 318) = ( -0.2090909 0.1414091 0.0000000), wk = 0.0017921 k( 319) = ( -0.2181818 0.1475573 0.0000000), wk = 0.0017921 k( 320) = ( -0.2272727 0.1537056 0.0000000), wk = 0.0017921 k( 321) = ( -0.2363636 0.1598538 0.0000000), wk = 0.0017921 k( 322) = ( -0.2454545 0.1660020 0.0000000), wk = 0.0017921 k( 323) = ( -0.2545455 0.1721502 0.0000000), wk = 0.0017921 k( 324) = ( -0.2636364 0.1782985 0.0000000), wk = 0.0017921 k( 325) = ( -0.2727273 0.1844467 0.0000000), wk = 0.0017921 k( 326) = ( -0.2818182 0.1905949 0.0000000), wk = 0.0017921 k( 327) = ( -0.2909091 0.1967431 0.0000000), wk = 0.0017921 k( 328) = ( -0.3000000 0.2028913 0.0000000), wk = 0.0017921 k( 329) = ( -0.3090909 0.2090396 0.0000000), wk = 0.0017921 k( 330) = ( -0.3181818 0.2151878 0.0000000), wk = 0.0017921 k( 331) = ( -0.3272727 0.2213360 0.0000000), wk = 0.0017921 k( 332) = ( -0.3363636 0.2274842 0.0000000), wk = 0.0017921 k( 333) = ( -0.3454546 0.2336325 0.0000000), wk = 0.0017921 k( 334) = ( -0.3545454 0.2397807 0.0000000), wk = 0.0017921 k( 335) = ( -0.3636364 0.2459289 0.0000000), wk = 0.0017921 k( 336) = ( -0.3727273 0.2520771 0.0000000), wk = 0.0017921 k( 337) = ( -0.3818182 0.2582254 0.0000000), wk = 0.0017921 k( 338) = ( -0.3909091 0.2643736 0.0000000), wk = 0.0017921 k( 339) = ( -0.4000000 0.2705218 0.0000000), wk = 0.0017921 k( 340) = ( -0.4090909 0.2766700 0.0000000), wk = 0.0017921 k( 341) = ( -0.4181818 0.2828182 0.0000000), wk = 0.0017921 k( 342) = ( -0.4272727 0.2889665 0.0000000), wk = 0.0017921 k( 343) = ( -0.4363636 0.2951147 0.0000000), wk = 0.0017921 k( 344) = ( -0.4454546 0.3012629 0.0000000), wk = 0.0017921 k( 345) = ( -0.4545455 0.3074111 0.0000000), wk = 0.0017921 k( 346) = ( -0.4636364 0.3135594 0.0000000), wk = 0.0017921 k( 347) = ( -0.4727273 0.3197076 0.0000000), wk = 0.0017921 k( 348) = ( -0.4818182 0.3258558 0.0000000), wk = 0.0017921 k( 349) = ( -0.4909091 0.3320040 0.0000000), wk = 0.0017921 k( 350) = ( -0.5000000 0.3381522 0.0000000), wk = 0.0017921 k( 351) = ( -0.5000000 0.3381522 0.0000000), wk = 0.0017921 k( 352) = ( -0.4938340 0.3472695 -0.0000000), wk = 0.0017921 k( 353) = ( -0.4876679 0.3563868 -0.0000000), wk = 0.0017921 k( 354) = ( -0.4815019 0.3655040 -0.0000000), wk = 0.0017921 k( 355) = ( -0.4753358 0.3746213 -0.0000000), wk = 0.0017921 k( 356) = ( -0.4691698 0.3837386 -0.0000000), wk = 0.0017921 k( 357) = ( -0.4630037 0.3928558 -0.0000000), wk = 0.0017921 k( 358) = ( -0.4568377 0.4019731 -0.0000000), wk = 0.0017921 k( 359) = ( -0.4506716 0.4110904 -0.0000000), wk = 0.0017921 k( 360) = ( -0.4445056 0.4202076 -0.0000000), wk = 0.0017921 k( 361) = ( -0.4383395 0.4293249 -0.0000000), wk = 0.0017921 k( 362) = ( -0.4321735 0.4384422 -0.0000000), wk = 0.0017921 k( 363) = ( -0.4260074 0.4475594 -0.0000000), wk = 0.0017921 k( 364) = ( -0.4198414 0.4566767 -0.0000000), wk = 0.0017921 k( 365) = ( -0.4136753 0.4657940 -0.0000000), wk = 0.0017921 k( 366) = ( -0.4075093 0.4749112 -0.0000000), wk = 0.0017921 k( 367) = ( -0.4013432 0.4840285 -0.0000000), wk = 0.0017921 k( 368) = ( -0.3951772 0.4931458 -0.0000000), wk = 0.0017921 k( 369) = ( -0.3890111 0.5022630 -0.0000000), wk = 0.0017921 k( 370) = ( -0.3828451 0.5113803 -0.0000000), wk = 0.0017921 k( 371) = ( -0.3766790 0.5204976 -0.0000000), wk = 0.0017921 k( 372) = ( -0.3705130 0.5296148 -0.0000000), wk = 0.0017921 k( 373) = ( -0.3643469 0.5387321 -0.0000000), wk = 0.0017921 k( 374) = ( -0.3643469 0.5387321 -0.0000000), wk = 0.0017921 k( 375) = ( -0.3643469 0.5387321 0.0109789), wk = 0.0017921 k( 376) = ( -0.3643469 0.5387321 0.0219579), wk = 0.0017921 k( 377) = ( -0.3643469 0.5387321 0.0329368), wk = 0.0017921 k( 378) = ( -0.3643469 0.5387321 0.0439158), wk = 0.0017921 k( 379) = ( -0.3643469 0.5387321 0.0548947), wk = 0.0017921 k( 380) = ( -0.3643469 0.5387321 0.0658737), wk = 0.0017921 k( 381) = ( -0.3643469 0.5387321 0.0768526), wk = 0.0017921 k( 382) = ( -0.3643469 0.5387321 0.0878316), wk = 0.0017921 k( 383) = ( -0.3643469 0.5387321 0.0988105), wk = 0.0017921 k( 384) = ( -0.3643469 0.5387321 0.1097895), wk = 0.0017921 k( 385) = ( -0.3643469 0.5387321 0.1207684), wk = 0.0017921 k( 386) = ( -0.3643469 0.5387321 0.1317474), wk = 0.0017921 k( 387) = ( -0.3643469 0.5387321 0.1427263), wk = 0.0017921 k( 388) = ( -0.3643469 0.5387321 0.1537053), wk = 0.0017921 k( 389) = ( -0.3643469 0.5387321 0.1646842), wk = 0.0017921 k( 390) = ( -0.3643469 0.5387321 0.1756632), wk = 0.0017921 k( 391) = ( -0.3643469 0.5387321 0.1866421), wk = 0.0017921 k( 392) = ( -0.3643469 0.5387321 0.1976211), wk = 0.0017921 k( 393) = ( -0.3643469 0.5387321 0.2086000), wk = 0.0017921 k( 394) = ( -0.3643469 0.5387321 0.2195790), wk = 0.0017921 k( 395) = ( -0.3643469 0.5387321 0.2305579), wk = 0.0017921 k( 396) = ( -0.3643469 0.5387321 0.2415369), wk = 0.0017921 k( 397) = ( -0.3643469 0.5387321 0.2525158), wk = 0.0017921 k( 398) = ( -0.3643469 0.5387321 0.2634948), wk = 0.0017921 k( 399) = ( -0.3643469 0.5387321 0.2744737), wk = 0.0017921 k( 400) = ( -0.3643469 0.5387321 0.2854527), wk = 0.0017921 k( 401) = ( -0.3643469 0.5387321 0.2964316), wk = 0.0017921 k( 402) = ( -0.3643469 0.5387321 0.3074106), wk = 0.0017921 k( 403) = ( -0.3643469 0.5387321 0.3183895), wk = 0.0017921 k( 404) = ( -0.3643469 0.5387321 0.3293685), wk = 0.0017921 k( 405) = ( -0.3643469 0.5387321 0.3403474), wk = 0.0017921 k( 406) = ( -0.3643469 0.5387321 0.3513264), wk = 0.0017921 k( 407) = ( -0.3643469 0.5387321 0.3623053), wk = 0.0017921 k( 408) = ( -0.3643469 0.5387321 0.3732843), wk = 0.0017921 k( 409) = ( -0.3643469 0.5387321 0.3842632), wk = 0.0017921 k( 410) = ( -0.3643469 0.5387321 0.3952422), wk = 0.0017921 k( 411) = ( -0.3643469 0.5387321 0.4062211), wk = 0.0017921 k( 412) = ( -0.3643469 0.5387321 0.4172001), wk = 0.0017921 k( 413) = ( -0.3643469 0.5387321 0.4281790), wk = 0.0017921 k( 414) = ( -0.3643469 0.5387321 0.4391580), wk = 0.0017921 k( 415) = ( -0.3643469 0.5387321 0.4501369), wk = 0.0017921 k( 416) = ( -0.3643469 0.5387321 0.4611159), wk = 0.0017921 k( 417) = ( -0.3643469 0.5387321 0.4720948), wk = 0.0017921 k( 418) = ( -0.3643469 0.5387321 0.4830738), wk = 0.0017921 k( 419) = ( -0.3643469 0.5387321 0.4940527), wk = 0.0017921 k( 420) = ( -0.3643469 0.5387321 0.5050317), wk = 0.0017921 k( 421) = ( -0.3643469 0.5387321 0.5160106), wk = 0.0017921 k( 422) = ( -0.3643469 0.5387321 0.5269896), wk = 0.0017921 k( 423) = ( -0.3643469 0.5387321 0.5379685), wk = 0.0017921 k( 424) = ( -0.3643469 0.5387321 0.5489475), wk = 0.0017921 k( 425) = ( -0.3643469 0.5387321 0.5599264), wk = 0.0017921 k( 426) = ( -0.3643469 0.5387321 0.5709054), wk = 0.0017921 k( 427) = ( -0.3643469 0.5387321 0.5709054), wk = 0.0017921 k( 428) = ( -0.3705130 0.5296148 0.5709054), wk = 0.0017921 k( 429) = ( -0.3766790 0.5204976 0.5709054), wk = 0.0017921 k( 430) = ( -0.3828451 0.5113803 0.5709054), wk = 0.0017921 k( 431) = ( -0.3890111 0.5022630 0.5709054), wk = 0.0017921 k( 432) = ( -0.3951772 0.4931458 0.5709054), wk = 0.0017921 k( 433) = ( -0.4013432 0.4840285 0.5709054), wk = 0.0017921 k( 434) = ( -0.4075093 0.4749112 0.5709054), wk = 0.0017921 k( 435) = ( -0.4136753 0.4657940 0.5709054), wk = 0.0017921 k( 436) = ( -0.4198414 0.4566767 0.5709054), wk = 0.0017921 k( 437) = ( -0.4260074 0.4475594 0.5709054), wk = 0.0017921 k( 438) = ( -0.4321735 0.4384422 0.5709054), wk = 0.0017921 k( 439) = ( -0.4383395 0.4293249 0.5709054), wk = 0.0017921 k( 440) = ( -0.4445056 0.4202076 0.5709054), wk = 0.0017921 k( 441) = ( -0.4506716 0.4110904 0.5709054), wk = 0.0017921 k( 442) = ( -0.4568377 0.4019731 0.5709054), wk = 0.0017921 k( 443) = ( -0.4630037 0.3928558 0.5709054), wk = 0.0017921 k( 444) = ( -0.4691698 0.3837386 0.5709054), wk = 0.0017921 k( 445) = ( -0.4753358 0.3746213 0.5709054), wk = 0.0017921 k( 446) = ( -0.4815019 0.3655040 0.5709054), wk = 0.0017921 k( 447) = ( -0.4876679 0.3563868 0.5709054), wk = 0.0017921 k( 448) = ( -0.4938340 0.3472695 0.5709054), wk = 0.0017921 k( 449) = ( -0.5000000 0.3381522 0.5709054), wk = 0.0017921 k( 450) = ( -0.5000000 0.3381522 0.5709054), wk = 0.0017921 k( 451) = ( -0.5000000 0.3381522 0.5599264), wk = 0.0017921 k( 452) = ( -0.5000000 0.3381522 0.5489475), wk = 0.0017921 k( 453) = ( -0.5000000 0.3381522 0.5379685), wk = 0.0017921 k( 454) = ( -0.5000000 0.3381522 0.5269896), wk = 0.0017921 k( 455) = ( -0.5000000 0.3381522 0.5160106), wk = 0.0017921 k( 456) = ( -0.5000000 0.3381522 0.5050317), wk = 0.0017921 k( 457) = ( -0.5000000 0.3381522 0.4940527), wk = 0.0017921 k( 458) = ( -0.5000000 0.3381522 0.4830738), wk = 0.0017921 k( 459) = ( -0.5000000 0.3381522 0.4720948), wk = 0.0017921 k( 460) = ( -0.5000000 0.3381522 0.4611159), wk = 0.0017921 k( 461) = ( -0.5000000 0.3381522 0.4501369), wk = 0.0017921 k( 462) = ( -0.5000000 0.3381522 0.4391580), wk = 0.0017921 k( 463) = ( -0.5000000 0.3381522 0.4281790), wk = 0.0017921 k( 464) = ( -0.5000000 0.3381522 0.4172001), wk = 0.0017921 k( 465) = ( -0.5000000 0.3381522 0.4062211), wk = 0.0017921 k( 466) = ( -0.5000000 0.3381522 0.3952422), wk = 0.0017921 k( 467) = ( -0.5000000 0.3381522 0.3842632), wk = 0.0017921 k( 468) = ( -0.5000000 0.3381522 0.3732843), wk = 0.0017921 k( 469) = ( -0.5000000 0.3381522 0.3623053), wk = 0.0017921 k( 470) = ( -0.5000000 0.3381522 0.3513264), wk = 0.0017921 k( 471) = ( -0.5000000 0.3381522 0.3403474), wk = 0.0017921 k( 472) = ( -0.5000000 0.3381522 0.3293685), wk = 0.0017921 k( 473) = ( -0.5000000 0.3381522 0.3183895), wk = 0.0017921 k( 474) = ( -0.5000000 0.3381522 0.3074106), wk = 0.0017921 k( 475) = ( -0.5000000 0.3381522 0.2964316), wk = 0.0017921 k( 476) = ( -0.5000000 0.3381522 0.2854527), wk = 0.0017921 k( 477) = ( -0.5000000 0.3381522 0.2744737), wk = 0.0017921 k( 478) = ( -0.5000000 0.3381522 0.2634948), wk = 0.0017921 k( 479) = ( -0.5000000 0.3381522 0.2525158), wk = 0.0017921 k( 480) = ( -0.5000000 0.3381522 0.2415369), wk = 0.0017921 k( 481) = ( -0.5000000 0.3381522 0.2305579), wk = 0.0017921 k( 482) = ( -0.5000000 0.3381522 0.2195790), wk = 0.0017921 k( 483) = ( -0.5000000 0.3381522 0.2086000), wk = 0.0017921 k( 484) = ( -0.5000000 0.3381522 0.1976211), wk = 0.0017921 k( 485) = ( -0.5000000 0.3381522 0.1866421), wk = 0.0017921 k( 486) = ( -0.5000000 0.3381522 0.1756632), wk = 0.0017921 k( 487) = ( -0.5000000 0.3381522 0.1646842), wk = 0.0017921 k( 488) = ( -0.5000000 0.3381522 0.1537053), wk = 0.0017921 k( 489) = ( -0.5000000 0.3381522 0.1427263), wk = 0.0017921 k( 490) = ( -0.5000000 0.3381522 0.1317474), wk = 0.0017921 k( 491) = ( -0.5000000 0.3381522 0.1207684), wk = 0.0017921 k( 492) = ( -0.5000000 0.3381522 0.1097895), wk = 0.0017921 k( 493) = ( -0.5000000 0.3381522 0.0988105), wk = 0.0017921 k( 494) = ( -0.5000000 0.3381522 0.0878316), wk = 0.0017921 k( 495) = ( -0.5000000 0.3381522 0.0768526), wk = 0.0017921 k( 496) = ( -0.5000000 0.3381522 0.0658737), wk = 0.0017921 k( 497) = ( -0.5000000 0.3381522 0.0548947), wk = 0.0017921 k( 498) = ( -0.5000000 0.3381522 0.0439158), wk = 0.0017921 k( 499) = ( -0.5000000 0.3381522 0.0329368), wk = 0.0017921 k( 500) = ( -0.5000000 0.3381522 0.0219579), wk = 0.0017921 k( 501) = ( -0.5000000 0.3381522 0.0109789), wk = 0.0017921 k( 502) = ( -0.5000000 0.3381522 0.0000000), wk = 0.0017921 k( 503) = ( 0.0000000 0.0000000 0.5709054), wk = 0.0017921 k( 504) = ( -0.0090909 0.0061482 0.5709054), wk = 0.0017921 k( 505) = ( -0.0181818 0.0122964 0.5709054), wk = 0.0017921 k( 506) = ( -0.0272727 0.0184447 0.5709054), wk = 0.0017921 k( 507) = ( -0.0363636 0.0245929 0.5709054), wk = 0.0017921 k( 508) = ( -0.0454546 0.0307411 0.5709054), wk = 0.0017921 k( 509) = ( -0.0545455 0.0368893 0.5709054), wk = 0.0017921 k( 510) = ( -0.0636364 0.0430376 0.5709054), wk = 0.0017921 k( 511) = ( -0.0727273 0.0491858 0.5709054), wk = 0.0017921 k( 512) = ( -0.0818182 0.0553340 0.5709054), wk = 0.0017921 k( 513) = ( -0.0909091 0.0614822 0.5709054), wk = 0.0017921 k( 514) = ( -0.1000000 0.0676304 0.5709054), wk = 0.0017921 k( 515) = ( -0.1090909 0.0737787 0.5709054), wk = 0.0017921 k( 516) = ( -0.1181818 0.0799269 0.5709054), wk = 0.0017921 k( 517) = ( -0.1272727 0.0860751 0.5709054), wk = 0.0017921 k( 518) = ( -0.1363636 0.0922233 0.5709054), wk = 0.0017921 k( 519) = ( -0.1454545 0.0983716 0.5709054), wk = 0.0017921 k( 520) = ( -0.1545455 0.1045198 0.5709054), wk = 0.0017921 k( 521) = ( -0.1636364 0.1106680 0.5709054), wk = 0.0017921 k( 522) = ( -0.1727273 0.1168162 0.5709054), wk = 0.0017921 k( 523) = ( -0.1818182 0.1229645 0.5709054), wk = 0.0017921 k( 524) = ( -0.1909091 0.1291127 0.5709054), wk = 0.0017921 k( 525) = ( -0.2000000 0.1352609 0.5709054), wk = 0.0017921 k( 526) = ( -0.2090909 0.1414091 0.5709054), wk = 0.0017921 k( 527) = ( -0.2181818 0.1475573 0.5709054), wk = 0.0017921 k( 528) = ( -0.2272727 0.1537056 0.5709054), wk = 0.0017921 k( 529) = ( -0.2363636 0.1598538 0.5709054), wk = 0.0017921 k( 530) = ( -0.2454545 0.1660020 0.5709054), wk = 0.0017921 k( 531) = ( -0.2545455 0.1721502 0.5709054), wk = 0.0017921 k( 532) = ( -0.2636364 0.1782985 0.5709054), wk = 0.0017921 k( 533) = ( -0.2727273 0.1844467 0.5709054), wk = 0.0017921 k( 534) = ( -0.2818182 0.1905949 0.5709054), wk = 0.0017921 k( 535) = ( -0.2909091 0.1967431 0.5709054), wk = 0.0017921 k( 536) = ( -0.3000000 0.2028913 0.5709054), wk = 0.0017921 k( 537) = ( -0.3090909 0.2090396 0.5709054), wk = 0.0017921 k( 538) = ( -0.3181818 0.2151878 0.5709054), wk = 0.0017921 k( 539) = ( -0.3272727 0.2213360 0.5709054), wk = 0.0017921 k( 540) = ( -0.3363636 0.2274842 0.5709054), wk = 0.0017921 k( 541) = ( -0.3454546 0.2336325 0.5709054), wk = 0.0017921 k( 542) = ( -0.3545454 0.2397807 0.5709054), wk = 0.0017921 k( 543) = ( -0.3636364 0.2459289 0.5709054), wk = 0.0017921 k( 544) = ( -0.3727273 0.2520771 0.5709054), wk = 0.0017921 k( 545) = ( -0.3818182 0.2582254 0.5709054), wk = 0.0017921 k( 546) = ( -0.3909091 0.2643736 0.5709054), wk = 0.0017921 k( 547) = ( -0.4000000 0.2705218 0.5709054), wk = 0.0017921 k( 548) = ( -0.4090909 0.2766700 0.5709054), wk = 0.0017921 k( 549) = ( -0.4181818 0.2828182 0.5709054), wk = 0.0017921 k( 550) = ( -0.4272727 0.2889665 0.5709054), wk = 0.0017921 k( 551) = ( -0.4363636 0.2951147 0.5709054), wk = 0.0017921 k( 552) = ( -0.4454546 0.3012629 0.5709054), wk = 0.0017921 k( 553) = ( -0.4545455 0.3074111 0.5709054), wk = 0.0017921 k( 554) = ( -0.4636364 0.3135594 0.5709054), wk = 0.0017921 k( 555) = ( -0.4727273 0.3197076 0.5709054), wk = 0.0017921 k( 556) = ( -0.4818182 0.3258558 0.5709054), wk = 0.0017921 k( 557) = ( -0.4909091 0.3320040 0.5709054), wk = 0.0017921 k( 558) = ( -0.5000000 0.3381522 0.5709054), wk = 0.0017921 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017921 k( 2) = ( 0.0061754 0.0061754 -0.0000000), wk = 0.0017921 k( 3) = ( 0.0123507 0.0123507 -0.0000000), wk = 0.0017921 k( 4) = ( 0.0185261 0.0185261 -0.0000000), wk = 0.0017921 k( 5) = ( 0.0247015 0.0247015 0.0000000), wk = 0.0017921 k( 6) = ( 0.0308769 0.0308769 0.0000000), wk = 0.0017921 k( 7) = ( 0.0370522 0.0370522 -0.0000000), wk = 0.0017921 k( 8) = ( 0.0432276 0.0432276 -0.0000000), wk = 0.0017921 k( 9) = ( 0.0494030 0.0494030 0.0000000), wk = 0.0017921 k( 10) = ( 0.0555783 0.0555783 0.0000000), wk = 0.0017921 k( 11) = ( 0.0617537 0.0617537 0.0000000), wk = 0.0017921 k( 12) = ( 0.0679291 0.0679291 0.0000000), wk = 0.0017921 k( 13) = ( 0.0741045 0.0741045 -0.0000000), wk = 0.0017921 k( 14) = ( 0.0802798 0.0802798 -0.0000000), wk = 0.0017921 k( 15) = ( 0.0864552 0.0864552 0.0000000), wk = 0.0017921 k( 16) = ( 0.0926306 0.0926306 0.0000000), wk = 0.0017921 k( 17) = ( 0.0988060 0.0988060 -0.0000000), wk = 0.0017921 k( 18) = ( 0.1049813 0.1049813 0.0000000), wk = 0.0017921 k( 19) = ( 0.1111567 0.1111567 0.0000000), wk = 0.0017921 k( 20) = ( 0.1173321 0.1173321 0.0000000), wk = 0.0017921 k( 21) = ( 0.1235074 0.1235074 0.0000000), wk = 0.0017921 k( 22) = ( 0.1296828 0.1296828 -0.0000000), wk = 0.0017921 k( 23) = ( 0.1358582 0.1358582 0.0000000), wk = 0.0017921 k( 24) = ( 0.1420336 0.1420336 0.0000000), wk = 0.0017921 k( 25) = ( 0.1482089 0.1482089 -0.0000000), wk = 0.0017921 k( 26) = ( 0.1543843 0.1543843 0.0000000), wk = 0.0017921 k( 27) = ( 0.1605597 0.1605597 -0.0000000), wk = 0.0017921 k( 28) = ( 0.1667350 0.1667350 0.0000000), wk = 0.0017921 k( 29) = ( 0.1729104 0.1729104 0.0000000), wk = 0.0017921 k( 30) = ( 0.1790858 0.1790858 0.0000000), wk = 0.0017921 k( 31) = ( 0.1852612 0.1852612 0.0000000), wk = 0.0017921 k( 32) = ( 0.1914365 0.1914365 0.0000000), wk = 0.0017921 k( 33) = ( 0.1976119 0.1976119 -0.0000000), wk = 0.0017921 k( 34) = ( 0.2037873 0.2037873 0.0000000), wk = 0.0017921 k( 35) = ( 0.2099626 0.2099626 0.0000000), wk = 0.0017921 k( 36) = ( 0.2161380 0.2161380 -0.0000000), wk = 0.0017921 k( 37) = ( 0.2223134 0.2223134 -0.0000000), wk = 0.0017921 k( 38) = ( 0.2284888 0.2284888 0.0000000), wk = 0.0017921 k( 39) = ( 0.2346641 0.2346641 0.0000000), wk = 0.0017921 k( 40) = ( 0.2408395 0.2408395 -0.0000000), wk = 0.0017921 k( 41) = ( 0.2470149 0.2470149 0.0000000), wk = 0.0017921 k( 42) = ( 0.2531903 0.2531903 0.0000000), wk = 0.0017921 k( 43) = ( 0.2593656 0.2593656 -0.0000000), wk = 0.0017921 k( 44) = ( 0.2655410 0.2655410 0.0000000), wk = 0.0017921 k( 45) = ( 0.2717164 0.2717164 0.0000000), wk = 0.0017921 k( 46) = ( 0.2778917 0.2778917 -0.0000000), wk = 0.0017921 k( 47) = ( 0.2840671 0.2840671 -0.0000000), wk = 0.0017921 k( 48) = ( 0.2902425 0.2902425 -0.0000000), wk = 0.0017921 k( 49) = ( 0.2964178 0.2964178 -0.0000000), wk = 0.0017921 k( 50) = ( 0.3025932 0.3025932 -0.0000000), wk = 0.0017921 k( 51) = ( 0.3087686 0.3087686 0.0000000), wk = 0.0017921 k( 52) = ( 0.3149440 0.3149440 0.0000000), wk = 0.0017921 k( 53) = ( 0.3211193 0.3211193 -0.0000000), wk = 0.0017921 k( 54) = ( 0.3272947 0.3272947 -0.0000000), wk = 0.0017921 k( 55) = ( 0.3334701 0.3334701 0.0000000), wk = 0.0017921 k( 56) = ( 0.3396455 0.3396454 0.0000000), wk = 0.0017921 k( 57) = ( 0.3458208 0.3458208 -0.0000000), wk = 0.0017921 k( 58) = ( 0.3519962 0.3519962 0.0000000), wk = 0.0017921 k( 59) = ( 0.3581716 0.3581716 0.0000000), wk = 0.0017921 k( 60) = ( 0.3643469 0.3643469 0.0000000), wk = 0.0017921 k( 61) = ( 0.3643469 0.3643469 0.0000000), wk = 0.0017921 k( 62) = ( 0.3533061 0.3684576 -0.0000000), wk = 0.0017921 k( 63) = ( 0.3422653 0.3725683 0.0000000), wk = 0.0017921 k( 64) = ( 0.3312245 0.3766790 0.0000000), wk = 0.0017921 k( 65) = ( 0.3201837 0.3807897 -0.0000000), wk = 0.0017921 k( 66) = ( 0.3091429 0.3849004 0.0000000), wk = 0.0017921 k( 67) = ( 0.2981020 0.3890111 0.0000000), wk = 0.0017921 k( 68) = ( 0.2870612 0.3931218 -0.0000000), wk = 0.0017921 k( 69) = ( 0.2760204 0.3972325 -0.0000000), wk = 0.0017921 k( 70) = ( 0.2649796 0.4013432 -0.0000000), wk = 0.0017921 k( 71) = ( 0.2539388 0.4054539 0.0000000), wk = 0.0017921 k( 72) = ( 0.2428980 0.4095646 -0.0000000), wk = 0.0017921 k( 73) = ( 0.2318572 0.4136753 -0.0000000), wk = 0.0017921 k( 74) = ( 0.2208163 0.4177860 -0.0000000), wk = 0.0017921 k( 75) = ( 0.2097755 0.4218967 0.0000000), wk = 0.0017921 k( 76) = ( 0.1987347 0.4260074 0.0000000), wk = 0.0017921 k( 77) = ( 0.1876939 0.4301181 -0.0000000), wk = 0.0017921 k( 78) = ( 0.1766531 0.4342288 0.0000000), wk = 0.0017921 k( 79) = ( 0.1656122 0.4383395 -0.0000000), wk = 0.0017921 k( 80) = ( 0.1545714 0.4424502 0.0000000), wk = 0.0017921 k( 81) = ( 0.1435306 0.4465609 -0.0000000), wk = 0.0017921 k( 82) = ( 0.1324898 0.4506716 -0.0000000), wk = 0.0017921 k( 83) = ( 0.1214490 0.4547823 -0.0000000), wk = 0.0017921 k( 84) = ( 0.1104082 0.4588930 0.0000000), wk = 0.0017921 k( 85) = ( 0.0993673 0.4630037 -0.0000000), wk = 0.0017921 k( 86) = ( 0.0883265 0.4671144 -0.0000000), wk = 0.0017921 k( 87) = ( 0.0772857 0.4712251 -0.0000000), wk = 0.0017921 k( 88) = ( 0.0662449 0.4753358 0.0000000), wk = 0.0017921 k( 89) = ( 0.0552041 0.4794465 0.0000000), wk = 0.0017921 k( 90) = ( 0.0441633 0.4835572 -0.0000000), wk = 0.0017921 k( 91) = ( 0.0331224 0.4876679 -0.0000000), wk = 0.0017921 k( 92) = ( 0.0220816 0.4917786 0.0000000), wk = 0.0017921 k( 93) = ( 0.0110408 0.4958893 -0.0000000), wk = 0.0017921 k( 94) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0017921 k( 95) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0017921 k( 96) = ( 0.0000000 0.5000000 0.0096154), wk = 0.0017921 k( 97) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0017921 k( 98) = ( 0.0000000 0.5000000 0.0288462), wk = 0.0017921 k( 99) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0017921 k( 100) = ( 0.0000000 0.5000000 0.0480769), wk = 0.0017921 k( 101) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0017921 k( 102) = ( 0.0000000 0.5000000 0.0673077), wk = 0.0017921 k( 103) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0017921 k( 104) = ( 0.0000000 0.5000000 0.0865385), wk = 0.0017921 k( 105) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0017921 k( 106) = ( 0.0000000 0.5000000 0.1057692), wk = 0.0017921 k( 107) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0017921 k( 108) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0017921 k( 109) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0017921 k( 110) = ( 0.0000000 0.5000000 0.1442308), wk = 0.0017921 k( 111) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0017921 k( 112) = ( 0.0000000 0.5000000 0.1634615), wk = 0.0017921 k( 113) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0017921 k( 114) = ( 0.0000000 0.5000000 0.1826923), wk = 0.0017921 k( 115) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0017921 k( 116) = ( 0.0000000 0.5000000 0.2019231), wk = 0.0017921 k( 117) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0017921 k( 118) = ( 0.0000000 0.5000000 0.2211538), wk = 0.0017921 k( 119) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0017921 k( 120) = ( 0.0000000 0.5000000 0.2403846), wk = 0.0017921 k( 121) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0017921 k( 122) = ( 0.0000000 0.5000000 0.2596154), wk = 0.0017921 k( 123) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0017921 k( 124) = ( 0.0000000 0.5000000 0.2788461), wk = 0.0017921 k( 125) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0017921 k( 126) = ( 0.0000000 0.5000000 0.2980769), wk = 0.0017921 k( 127) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0017921 k( 128) = ( 0.0000000 0.5000000 0.3173077), wk = 0.0017921 k( 129) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0017921 k( 130) = ( 0.0000000 0.5000000 0.3365385), wk = 0.0017921 k( 131) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0017921 k( 132) = ( 0.0000000 0.5000000 0.3557692), wk = 0.0017921 k( 133) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0017921 k( 134) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0017921 k( 135) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0017921 k( 136) = ( 0.0000000 0.5000000 0.3942308), wk = 0.0017921 k( 137) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0017921 k( 138) = ( 0.0000000 0.5000000 0.4134615), wk = 0.0017921 k( 139) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0017921 k( 140) = ( 0.0000000 0.5000000 0.4326923), wk = 0.0017921 k( 141) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0017921 k( 142) = ( 0.0000000 0.5000000 0.4519231), wk = 0.0017921 k( 143) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0017921 k( 144) = ( 0.0000000 0.5000000 0.4711538), wk = 0.0017921 k( 145) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0017921 k( 146) = ( 0.0000000 0.5000000 0.4903846), wk = 0.0017921 k( 147) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017921 k( 148) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017921 k( 149) = ( 0.0110408 0.4958893 0.5000000), wk = 0.0017921 k( 150) = ( 0.0220816 0.4917786 0.5000000), wk = 0.0017921 k( 151) = ( 0.0331224 0.4876679 0.5000000), wk = 0.0017921 k( 152) = ( 0.0441633 0.4835572 0.5000000), wk = 0.0017921 k( 153) = ( 0.0552041 0.4794465 0.5000000), wk = 0.0017921 k( 154) = ( 0.0662449 0.4753358 0.5000000), wk = 0.0017921 k( 155) = ( 0.0772857 0.4712251 0.5000000), wk = 0.0017921 k( 156) = ( 0.0883265 0.4671144 0.5000000), wk = 0.0017921 k( 157) = ( 0.0993673 0.4630037 0.5000000), wk = 0.0017921 k( 158) = ( 0.1104082 0.4588930 0.5000000), wk = 0.0017921 k( 159) = ( 0.1214490 0.4547823 0.5000000), wk = 0.0017921 k( 160) = ( 0.1324898 0.4506716 0.5000000), wk = 0.0017921 k( 161) = ( 0.1435306 0.4465609 0.5000000), wk = 0.0017921 k( 162) = ( 0.1545714 0.4424502 0.5000000), wk = 0.0017921 k( 163) = ( 0.1656122 0.4383395 0.5000000), wk = 0.0017921 k( 164) = ( 0.1766531 0.4342288 0.5000000), wk = 0.0017921 k( 165) = ( 0.1876939 0.4301181 0.5000000), wk = 0.0017921 k( 166) = ( 0.1987347 0.4260074 0.5000000), wk = 0.0017921 k( 167) = ( 0.2097755 0.4218967 0.5000000), wk = 0.0017921 k( 168) = ( 0.2208163 0.4177860 0.5000000), wk = 0.0017921 k( 169) = ( 0.2318572 0.4136753 0.5000000), wk = 0.0017921 k( 170) = ( 0.2428980 0.4095646 0.5000000), wk = 0.0017921 k( 171) = ( 0.2539388 0.4054539 0.5000000), wk = 0.0017921 k( 172) = ( 0.2649796 0.4013432 0.5000000), wk = 0.0017921 k( 173) = ( 0.2760204 0.3972325 0.5000000), wk = 0.0017921 k( 174) = ( 0.2870612 0.3931218 0.5000000), wk = 0.0017921 k( 175) = ( 0.2981020 0.3890111 0.5000000), wk = 0.0017921 k( 176) = ( 0.3091429 0.3849004 0.5000000), wk = 0.0017921 k( 177) = ( 0.3201837 0.3807897 0.5000000), wk = 0.0017921 k( 178) = ( 0.3312245 0.3766790 0.5000000), wk = 0.0017921 k( 179) = ( 0.3422653 0.3725683 0.5000000), wk = 0.0017921 k( 180) = ( 0.3533061 0.3684576 0.5000000), wk = 0.0017921 k( 181) = ( 0.3643469 0.3643469 0.5000000), wk = 0.0017921 k( 182) = ( 0.3643469 0.3643469 0.5000000), wk = 0.0017921 k( 183) = ( 0.3581716 0.3581716 0.5000000), wk = 0.0017921 k( 184) = ( 0.3519962 0.3519962 0.5000000), wk = 0.0017921 k( 185) = ( 0.3458208 0.3458208 0.5000000), wk = 0.0017921 k( 186) = ( 0.3396455 0.3396454 0.5000000), wk = 0.0017921 k( 187) = ( 0.3334701 0.3334701 0.5000000), wk = 0.0017921 k( 188) = ( 0.3272947 0.3272947 0.5000000), wk = 0.0017921 k( 189) = ( 0.3211193 0.3211193 0.5000000), wk = 0.0017921 k( 190) = ( 0.3149440 0.3149440 0.5000000), wk = 0.0017921 k( 191) = ( 0.3087686 0.3087686 0.5000000), wk = 0.0017921 k( 192) = ( 0.3025932 0.3025932 0.5000000), wk = 0.0017921 k( 193) = ( 0.2964178 0.2964178 0.5000000), wk = 0.0017921 k( 194) = ( 0.2902425 0.2902425 0.5000000), wk = 0.0017921 k( 195) = ( 0.2840671 0.2840671 0.5000000), wk = 0.0017921 k( 196) = ( 0.2778917 0.2778917 0.5000000), wk = 0.0017921 k( 197) = ( 0.2717164 0.2717164 0.5000000), wk = 0.0017921 k( 198) = ( 0.2655410 0.2655410 0.5000000), wk = 0.0017921 k( 199) = ( 0.2593656 0.2593656 0.5000000), wk = 0.0017921 k( 200) = ( 0.2531903 0.2531903 0.5000000), wk = 0.0017921 k( 201) = ( 0.2470149 0.2470149 0.5000000), wk = 0.0017921 k( 202) = ( 0.2408395 0.2408395 0.5000000), wk = 0.0017921 k( 203) = ( 0.2346641 0.2346641 0.5000000), wk = 0.0017921 k( 204) = ( 0.2284888 0.2284888 0.5000000), wk = 0.0017921 k( 205) = ( 0.2223134 0.2223134 0.5000000), wk = 0.0017921 k( 206) = ( 0.2161380 0.2161380 0.5000000), wk = 0.0017921 k( 207) = ( 0.2099626 0.2099626 0.5000000), wk = 0.0017921 k( 208) = ( 0.2037873 0.2037873 0.5000000), wk = 0.0017921 k( 209) = ( 0.1976119 0.1976119 0.5000000), wk = 0.0017921 k( 210) = ( 0.1914365 0.1914365 0.5000000), wk = 0.0017921 k( 211) = ( 0.1852612 0.1852612 0.5000000), wk = 0.0017921 k( 212) = ( 0.1790858 0.1790858 0.5000000), wk = 0.0017921 k( 213) = ( 0.1729104 0.1729104 0.5000000), wk = 0.0017921 k( 214) = ( 0.1667350 0.1667350 0.5000000), wk = 0.0017921 k( 215) = ( 0.1605597 0.1605597 0.5000000), wk = 0.0017921 k( 216) = ( 0.1543843 0.1543843 0.5000000), wk = 0.0017921 k( 217) = ( 0.1482089 0.1482089 0.5000000), wk = 0.0017921 k( 218) = ( 0.1420336 0.1420336 0.5000000), wk = 0.0017921 k( 219) = ( 0.1358582 0.1358582 0.5000000), wk = 0.0017921 k( 220) = ( 0.1296828 0.1296828 0.5000000), wk = 0.0017921 k( 221) = ( 0.1235074 0.1235074 0.5000000), wk = 0.0017921 k( 222) = ( 0.1173321 0.1173321 0.5000000), wk = 0.0017921 k( 223) = ( 0.1111567 0.1111567 0.5000000), wk = 0.0017921 k( 224) = ( 0.1049813 0.1049813 0.5000000), wk = 0.0017921 k( 225) = ( 0.0988060 0.0988060 0.5000000), wk = 0.0017921 k( 226) = ( 0.0926306 0.0926306 0.5000000), wk = 0.0017921 k( 227) = ( 0.0864552 0.0864552 0.5000000), wk = 0.0017921 k( 228) = ( 0.0802798 0.0802798 0.5000000), wk = 0.0017921 k( 229) = ( 0.0741045 0.0741045 0.5000000), wk = 0.0017921 k( 230) = ( 0.0679291 0.0679291 0.5000000), wk = 0.0017921 k( 231) = ( 0.0617537 0.0617537 0.5000000), wk = 0.0017921 k( 232) = ( 0.0555783 0.0555783 0.5000000), wk = 0.0017921 k( 233) = ( 0.0494030 0.0494030 0.5000000), wk = 0.0017921 k( 234) = ( 0.0432276 0.0432276 0.5000000), wk = 0.0017921 k( 235) = ( 0.0370522 0.0370522 0.5000000), wk = 0.0017921 k( 236) = ( 0.0308769 0.0308769 0.5000000), wk = 0.0017921 k( 237) = ( 0.0247015 0.0247015 0.5000000), wk = 0.0017921 k( 238) = ( 0.0185261 0.0185261 0.5000000), wk = 0.0017921 k( 239) = ( 0.0123507 0.0123507 0.5000000), wk = 0.0017921 k( 240) = ( 0.0061754 0.0061754 0.5000000), wk = 0.0017921 k( 241) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017921 k( 242) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017921 k( 243) = ( 0.0000000 0.0000000 0.4903846), wk = 0.0017921 k( 244) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0017921 k( 245) = ( 0.0000000 0.0000000 0.4711538), wk = 0.0017921 k( 246) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0017921 k( 247) = ( 0.0000000 0.0000000 0.4519231), wk = 0.0017921 k( 248) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0017921 k( 249) = ( 0.0000000 0.0000000 0.4326923), wk = 0.0017921 k( 250) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0017921 k( 251) = ( 0.0000000 0.0000000 0.4134615), wk = 0.0017921 k( 252) = ( 0.0000000 0.0000000 0.4038461), wk = 0.0017921 k( 253) = ( 0.0000000 0.0000000 0.3942308), wk = 0.0017921 k( 254) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0017921 k( 255) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0017921 k( 256) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0017921 k( 257) = ( 0.0000000 0.0000000 0.3557692), wk = 0.0017921 k( 258) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0017921 k( 259) = ( 0.0000000 0.0000000 0.3365385), wk = 0.0017921 k( 260) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0017921 k( 261) = ( 0.0000000 0.0000000 0.3173077), wk = 0.0017921 k( 262) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0017921 k( 263) = ( 0.0000000 0.0000000 0.2980769), wk = 0.0017921 k( 264) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0017921 k( 265) = ( 0.0000000 0.0000000 0.2788462), wk = 0.0017921 k( 266) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0017921 k( 267) = ( 0.0000000 0.0000000 0.2596154), wk = 0.0017921 k( 268) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0017921 k( 269) = ( 0.0000000 0.0000000 0.2403846), wk = 0.0017921 k( 270) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0017921 k( 271) = ( 0.0000000 0.0000000 0.2211539), wk = 0.0017921 k( 272) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0017921 k( 273) = ( 0.0000000 0.0000000 0.2019231), wk = 0.0017921 k( 274) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0017921 k( 275) = ( 0.0000000 0.0000000 0.1826923), wk = 0.0017921 k( 276) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0017921 k( 277) = ( 0.0000000 0.0000000 0.1634615), wk = 0.0017921 k( 278) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0017921 k( 279) = ( 0.0000000 0.0000000 0.1442308), wk = 0.0017921 k( 280) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0017921 k( 281) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0017921 k( 282) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0017921 k( 283) = ( 0.0000000 0.0000000 0.1057692), wk = 0.0017921 k( 284) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0017921 k( 285) = ( 0.0000000 0.0000000 0.0865385), wk = 0.0017921 k( 286) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0017921 k( 287) = ( 0.0000000 0.0000000 0.0673077), wk = 0.0017921 k( 288) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0017921 k( 289) = ( 0.0000000 0.0000000 0.0480769), wk = 0.0017921 k( 290) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0017921 k( 291) = ( 0.0000000 0.0000000 0.0288461), wk = 0.0017921 k( 292) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0017921 k( 293) = ( 0.0000000 0.0000000 0.0096154), wk = 0.0017921 k( 294) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017921 k( 295) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017921 k( 296) = ( -0.0090909 0.0090909 -0.0000000), wk = 0.0017921 k( 297) = ( -0.0181818 0.0181818 -0.0000000), wk = 0.0017921 k( 298) = ( -0.0272727 0.0272727 -0.0000000), wk = 0.0017921 k( 299) = ( -0.0363636 0.0363636 -0.0000000), wk = 0.0017921 k( 300) = ( -0.0454546 0.0454545 -0.0000000), wk = 0.0017921 k( 301) = ( -0.0545455 0.0545454 -0.0000000), wk = 0.0017921 k( 302) = ( -0.0636364 0.0636364 -0.0000000), wk = 0.0017921 k( 303) = ( -0.0727273 0.0727273 -0.0000000), wk = 0.0017921 k( 304) = ( -0.0818182 0.0818182 -0.0000000), wk = 0.0017921 k( 305) = ( -0.0909091 0.0909091 -0.0000000), wk = 0.0017921 k( 306) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0017921 k( 307) = ( -0.1090909 0.1090909 -0.0000000), wk = 0.0017921 k( 308) = ( -0.1181818 0.1181818 -0.0000000), wk = 0.0017921 k( 309) = ( -0.1272727 0.1272727 -0.0000000), wk = 0.0017921 k( 310) = ( -0.1363636 0.1363636 -0.0000000), wk = 0.0017921 k( 311) = ( -0.1454545 0.1454545 -0.0000000), wk = 0.0017921 k( 312) = ( -0.1545455 0.1545454 -0.0000000), wk = 0.0017921 k( 313) = ( -0.1636364 0.1636364 -0.0000000), wk = 0.0017921 k( 314) = ( -0.1727273 0.1727273 -0.0000000), wk = 0.0017921 k( 315) = ( -0.1818182 0.1818182 -0.0000000), wk = 0.0017921 k( 316) = ( -0.1909091 0.1909091 -0.0000000), wk = 0.0017921 k( 317) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0017921 k( 318) = ( -0.2090909 0.2090909 -0.0000000), wk = 0.0017921 k( 319) = ( -0.2181818 0.2181818 -0.0000000), wk = 0.0017921 k( 320) = ( -0.2272727 0.2272727 -0.0000000), wk = 0.0017921 k( 321) = ( -0.2363636 0.2363636 -0.0000000), wk = 0.0017921 k( 322) = ( -0.2454545 0.2454545 -0.0000000), wk = 0.0017921 k( 323) = ( -0.2545455 0.2545455 -0.0000000), wk = 0.0017921 k( 324) = ( -0.2636364 0.2636364 -0.0000000), wk = 0.0017921 k( 325) = ( -0.2727273 0.2727273 -0.0000000), wk = 0.0017921 k( 326) = ( -0.2818182 0.2818182 -0.0000000), wk = 0.0017921 k( 327) = ( -0.2909091 0.2909091 -0.0000000), wk = 0.0017921 k( 328) = ( -0.3000000 0.3000000 -0.0000000), wk = 0.0017921 k( 329) = ( -0.3090909 0.3090909 -0.0000000), wk = 0.0017921 k( 330) = ( -0.3181818 0.3181818 -0.0000000), wk = 0.0017921 k( 331) = ( -0.3272727 0.3272727 -0.0000000), wk = 0.0017921 k( 332) = ( -0.3363636 0.3363636 -0.0000000), wk = 0.0017921 k( 333) = ( -0.3454546 0.3454545 -0.0000000), wk = 0.0017921 k( 334) = ( -0.3545454 0.3545454 -0.0000000), wk = 0.0017921 k( 335) = ( -0.3636364 0.3636364 -0.0000000), wk = 0.0017921 k( 336) = ( -0.3727273 0.3727273 -0.0000000), wk = 0.0017921 k( 337) = ( -0.3818182 0.3818182 -0.0000000), wk = 0.0017921 k( 338) = ( -0.3909091 0.3909091 -0.0000000), wk = 0.0017921 k( 339) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0017921 k( 340) = ( -0.4090909 0.4090909 -0.0000000), wk = 0.0017921 k( 341) = ( -0.4181818 0.4181818 -0.0000000), wk = 0.0017921 k( 342) = ( -0.4272727 0.4272727 -0.0000000), wk = 0.0017921 k( 343) = ( -0.4363636 0.4363636 -0.0000000), wk = 0.0017921 k( 344) = ( -0.4454546 0.4454546 -0.0000000), wk = 0.0017921 k( 345) = ( -0.4545455 0.4545455 -0.0000000), wk = 0.0017921 k( 346) = ( -0.4636364 0.4636364 -0.0000000), wk = 0.0017921 k( 347) = ( -0.4727273 0.4727273 -0.0000000), wk = 0.0017921 k( 348) = ( -0.4818182 0.4818182 -0.0000000), wk = 0.0017921 k( 349) = ( -0.4909091 0.4909091 -0.0000000), wk = 0.0017921 k( 350) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0017921 k( 351) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0017921 k( 352) = ( -0.4938340 0.5061660 -0.0000000), wk = 0.0017921 k( 353) = ( -0.4876679 0.5123321 -0.0000000), wk = 0.0017921 k( 354) = ( -0.4815019 0.5184981 -0.0000000), wk = 0.0017921 k( 355) = ( -0.4753358 0.5246642 -0.0000000), wk = 0.0017921 k( 356) = ( -0.4691698 0.5308302 -0.0000000), wk = 0.0017921 k( 357) = ( -0.4630037 0.5369963 -0.0000000), wk = 0.0017921 k( 358) = ( -0.4568377 0.5431623 -0.0000000), wk = 0.0017921 k( 359) = ( -0.4506716 0.5493284 -0.0000000), wk = 0.0017921 k( 360) = ( -0.4445056 0.5554944 -0.0000000), wk = 0.0017921 k( 361) = ( -0.4383395 0.5616605 -0.0000000), wk = 0.0017921 k( 362) = ( -0.4321735 0.5678265 -0.0000000), wk = 0.0017921 k( 363) = ( -0.4260074 0.5739926 -0.0000000), wk = 0.0017921 k( 364) = ( -0.4198414 0.5801586 -0.0000000), wk = 0.0017921 k( 365) = ( -0.4136753 0.5863247 -0.0000000), wk = 0.0017921 k( 366) = ( -0.4075093 0.5924907 -0.0000000), wk = 0.0017921 k( 367) = ( -0.4013432 0.5986568 -0.0000000), wk = 0.0017921 k( 368) = ( -0.3951772 0.6048228 -0.0000000), wk = 0.0017921 k( 369) = ( -0.3890111 0.6109889 -0.0000000), wk = 0.0017921 k( 370) = ( -0.3828451 0.6171549 -0.0000000), wk = 0.0017921 k( 371) = ( -0.3766790 0.6233210 -0.0000000), wk = 0.0017921 k( 372) = ( -0.3705130 0.6294870 -0.0000000), wk = 0.0017921 k( 373) = ( -0.3643469 0.6356531 -0.0000000), wk = 0.0017921 k( 374) = ( -0.3643469 0.6356531 -0.0000000), wk = 0.0017921 k( 375) = ( -0.3643469 0.6356531 0.0096154), wk = 0.0017921 k( 376) = ( -0.3643469 0.6356531 0.0192308), wk = 0.0017921 k( 377) = ( -0.3643469 0.6356531 0.0288462), wk = 0.0017921 k( 378) = ( -0.3643469 0.6356531 0.0384615), wk = 0.0017921 k( 379) = ( -0.3643469 0.6356531 0.0480769), wk = 0.0017921 k( 380) = ( -0.3643469 0.6356531 0.0576923), wk = 0.0017921 k( 381) = ( -0.3643469 0.6356531 0.0673077), wk = 0.0017921 k( 382) = ( -0.3643469 0.6356531 0.0769231), wk = 0.0017921 k( 383) = ( -0.3643469 0.6356531 0.0865385), wk = 0.0017921 k( 384) = ( -0.3643469 0.6356531 0.0961538), wk = 0.0017921 k( 385) = ( -0.3643469 0.6356531 0.1057692), wk = 0.0017921 k( 386) = ( -0.3643469 0.6356531 0.1153846), wk = 0.0017921 k( 387) = ( -0.3643469 0.6356531 0.1250000), wk = 0.0017921 k( 388) = ( -0.3643469 0.6356531 0.1346154), wk = 0.0017921 k( 389) = ( -0.3643469 0.6356531 0.1442308), wk = 0.0017921 k( 390) = ( -0.3643469 0.6356531 0.1538461), wk = 0.0017921 k( 391) = ( -0.3643469 0.6356531 0.1634615), wk = 0.0017921 k( 392) = ( -0.3643469 0.6356531 0.1730769), wk = 0.0017921 k( 393) = ( -0.3643469 0.6356531 0.1826923), wk = 0.0017921 k( 394) = ( -0.3643469 0.6356531 0.1923077), wk = 0.0017921 k( 395) = ( -0.3643469 0.6356531 0.2019231), wk = 0.0017921 k( 396) = ( -0.3643469 0.6356531 0.2115385), wk = 0.0017921 k( 397) = ( -0.3643469 0.6356531 0.2211539), wk = 0.0017921 k( 398) = ( -0.3643469 0.6356531 0.2307692), wk = 0.0017921 k( 399) = ( -0.3643469 0.6356531 0.2403846), wk = 0.0017921 k( 400) = ( -0.3643469 0.6356531 0.2500000), wk = 0.0017921 k( 401) = ( -0.3643469 0.6356531 0.2596154), wk = 0.0017921 k( 402) = ( -0.3643469 0.6356531 0.2692308), wk = 0.0017921 k( 403) = ( -0.3643469 0.6356531 0.2788462), wk = 0.0017921 k( 404) = ( -0.3643469 0.6356531 0.2884615), wk = 0.0017921 k( 405) = ( -0.3643469 0.6356531 0.2980769), wk = 0.0017921 k( 406) = ( -0.3643469 0.6356531 0.3076923), wk = 0.0017921 k( 407) = ( -0.3643469 0.6356531 0.3173077), wk = 0.0017921 k( 408) = ( -0.3643469 0.6356531 0.3269231), wk = 0.0017921 k( 409) = ( -0.3643469 0.6356531 0.3365385), wk = 0.0017921 k( 410) = ( -0.3643469 0.6356531 0.3461538), wk = 0.0017921 k( 411) = ( -0.3643469 0.6356531 0.3557692), wk = 0.0017921 k( 412) = ( -0.3643469 0.6356531 0.3653846), wk = 0.0017921 k( 413) = ( -0.3643469 0.6356531 0.3750000), wk = 0.0017921 k( 414) = ( -0.3643469 0.6356531 0.3846154), wk = 0.0017921 k( 415) = ( -0.3643469 0.6356531 0.3942308), wk = 0.0017921 k( 416) = ( -0.3643469 0.6356531 0.4038462), wk = 0.0017921 k( 417) = ( -0.3643469 0.6356531 0.4134615), wk = 0.0017921 k( 418) = ( -0.3643469 0.6356531 0.4230769), wk = 0.0017921 k( 419) = ( -0.3643469 0.6356531 0.4326923), wk = 0.0017921 k( 420) = ( -0.3643469 0.6356531 0.4423077), wk = 0.0017921 k( 421) = ( -0.3643469 0.6356531 0.4519231), wk = 0.0017921 k( 422) = ( -0.3643469 0.6356531 0.4615385), wk = 0.0017921 k( 423) = ( -0.3643469 0.6356531 0.4711538), wk = 0.0017921 k( 424) = ( -0.3643469 0.6356531 0.4807692), wk = 0.0017921 k( 425) = ( -0.3643469 0.6356531 0.4903846), wk = 0.0017921 k( 426) = ( -0.3643469 0.6356531 0.5000000), wk = 0.0017921 k( 427) = ( -0.3643469 0.6356531 0.5000000), wk = 0.0017921 k( 428) = ( -0.3705130 0.6294870 0.5000000), wk = 0.0017921 k( 429) = ( -0.3766790 0.6233210 0.5000000), wk = 0.0017921 k( 430) = ( -0.3828451 0.6171549 0.5000000), wk = 0.0017921 k( 431) = ( -0.3890111 0.6109889 0.5000000), wk = 0.0017921 k( 432) = ( -0.3951772 0.6048228 0.5000000), wk = 0.0017921 k( 433) = ( -0.4013432 0.5986568 0.5000000), wk = 0.0017921 k( 434) = ( -0.4075093 0.5924907 0.5000000), wk = 0.0017921 k( 435) = ( -0.4136753 0.5863247 0.5000000), wk = 0.0017921 k( 436) = ( -0.4198414 0.5801586 0.5000000), wk = 0.0017921 k( 437) = ( -0.4260074 0.5739926 0.5000000), wk = 0.0017921 k( 438) = ( -0.4321735 0.5678265 0.5000000), wk = 0.0017921 k( 439) = ( -0.4383395 0.5616605 0.5000000), wk = 0.0017921 k( 440) = ( -0.4445056 0.5554944 0.5000000), wk = 0.0017921 k( 441) = ( -0.4506716 0.5493284 0.5000000), wk = 0.0017921 k( 442) = ( -0.4568377 0.5431623 0.5000000), wk = 0.0017921 k( 443) = ( -0.4630037 0.5369963 0.5000000), wk = 0.0017921 k( 444) = ( -0.4691698 0.5308302 0.5000000), wk = 0.0017921 k( 445) = ( -0.4753358 0.5246642 0.5000000), wk = 0.0017921 k( 446) = ( -0.4815019 0.5184981 0.5000000), wk = 0.0017921 k( 447) = ( -0.4876679 0.5123321 0.5000000), wk = 0.0017921 k( 448) = ( -0.4938340 0.5061660 0.5000000), wk = 0.0017921 k( 449) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0017921 k( 450) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0017921 k( 451) = ( -0.5000000 0.5000000 0.4903846), wk = 0.0017921 k( 452) = ( -0.5000000 0.5000000 0.4807692), wk = 0.0017921 k( 453) = ( -0.5000000 0.5000000 0.4711538), wk = 0.0017921 k( 454) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0017921 k( 455) = ( -0.5000000 0.5000000 0.4519231), wk = 0.0017921 k( 456) = ( -0.5000000 0.5000000 0.4423077), wk = 0.0017921 k( 457) = ( -0.5000000 0.5000000 0.4326923), wk = 0.0017921 k( 458) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0017921 k( 459) = ( -0.5000000 0.5000000 0.4134615), wk = 0.0017921 k( 460) = ( -0.5000000 0.5000000 0.4038461), wk = 0.0017921 k( 461) = ( -0.5000000 0.5000000 0.3942308), wk = 0.0017921 k( 462) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0017921 k( 463) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0017921 k( 464) = ( -0.5000000 0.5000000 0.3653846), wk = 0.0017921 k( 465) = ( -0.5000000 0.5000000 0.3557692), wk = 0.0017921 k( 466) = ( -0.5000000 0.5000000 0.3461538), wk = 0.0017921 k( 467) = ( -0.5000000 0.5000000 0.3365385), wk = 0.0017921 k( 468) = ( -0.5000000 0.5000000 0.3269231), wk = 0.0017921 k( 469) = ( -0.5000000 0.5000000 0.3173077), wk = 0.0017921 k( 470) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0017921 k( 471) = ( -0.5000000 0.5000000 0.2980769), wk = 0.0017921 k( 472) = ( -0.5000000 0.5000000 0.2884615), wk = 0.0017921 k( 473) = ( -0.5000000 0.5000000 0.2788462), wk = 0.0017921 k( 474) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0017921 k( 475) = ( -0.5000000 0.5000000 0.2596154), wk = 0.0017921 k( 476) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0017921 k( 477) = ( -0.5000000 0.5000000 0.2403846), wk = 0.0017921 k( 478) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0017921 k( 479) = ( -0.5000000 0.5000000 0.2211539), wk = 0.0017921 k( 480) = ( -0.5000000 0.5000000 0.2115385), wk = 0.0017921 k( 481) = ( -0.5000000 0.5000000 0.2019231), wk = 0.0017921 k( 482) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0017921 k( 483) = ( -0.5000000 0.5000000 0.1826923), wk = 0.0017921 k( 484) = ( -0.5000000 0.5000000 0.1730769), wk = 0.0017921 k( 485) = ( -0.5000000 0.5000000 0.1634615), wk = 0.0017921 k( 486) = ( -0.5000000 0.5000000 0.1538461), wk = 0.0017921 k( 487) = ( -0.5000000 0.5000000 0.1442308), wk = 0.0017921 k( 488) = ( -0.5000000 0.5000000 0.1346154), wk = 0.0017921 k( 489) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0017921 k( 490) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0017921 k( 491) = ( -0.5000000 0.5000000 0.1057692), wk = 0.0017921 k( 492) = ( -0.5000000 0.5000000 0.0961538), wk = 0.0017921 k( 493) = ( -0.5000000 0.5000000 0.0865385), wk = 0.0017921 k( 494) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0017921 k( 495) = ( -0.5000000 0.5000000 0.0673077), wk = 0.0017921 k( 496) = ( -0.5000000 0.5000000 0.0576923), wk = 0.0017921 k( 497) = ( -0.5000000 0.5000000 0.0480769), wk = 0.0017921 k( 498) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0017921 k( 499) = ( -0.5000000 0.5000000 0.0288461), wk = 0.0017921 k( 500) = ( -0.5000000 0.5000000 0.0192308), wk = 0.0017921 k( 501) = ( -0.5000000 0.5000000 0.0096154), wk = 0.0017921 k( 502) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0017921 k( 503) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017921 k( 504) = ( -0.0090909 0.0090909 0.5000000), wk = 0.0017921 k( 505) = ( -0.0181818 0.0181818 0.5000000), wk = 0.0017921 k( 506) = ( -0.0272727 0.0272727 0.5000000), wk = 0.0017921 k( 507) = ( -0.0363636 0.0363636 0.5000000), wk = 0.0017921 k( 508) = ( -0.0454546 0.0454545 0.5000000), wk = 0.0017921 k( 509) = ( -0.0545455 0.0545454 0.5000000), wk = 0.0017921 k( 510) = ( -0.0636364 0.0636364 0.5000000), wk = 0.0017921 k( 511) = ( -0.0727273 0.0727273 0.5000000), wk = 0.0017921 k( 512) = ( -0.0818182 0.0818182 0.5000000), wk = 0.0017921 k( 513) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0017921 k( 514) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0017921 k( 515) = ( -0.1090909 0.1090909 0.5000000), wk = 0.0017921 k( 516) = ( -0.1181818 0.1181818 0.5000000), wk = 0.0017921 k( 517) = ( -0.1272727 0.1272727 0.5000000), wk = 0.0017921 k( 518) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0017921 k( 519) = ( -0.1454545 0.1454545 0.5000000), wk = 0.0017921 k( 520) = ( -0.1545455 0.1545454 0.5000000), wk = 0.0017921 k( 521) = ( -0.1636364 0.1636364 0.5000000), wk = 0.0017921 k( 522) = ( -0.1727273 0.1727273 0.5000000), wk = 0.0017921 k( 523) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0017921 k( 524) = ( -0.1909091 0.1909091 0.5000000), wk = 0.0017921 k( 525) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0017921 k( 526) = ( -0.2090909 0.2090909 0.5000000), wk = 0.0017921 k( 527) = ( -0.2181818 0.2181818 0.5000000), wk = 0.0017921 k( 528) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0017921 k( 529) = ( -0.2363636 0.2363636 0.5000000), wk = 0.0017921 k( 530) = ( -0.2454545 0.2454545 0.5000000), wk = 0.0017921 k( 531) = ( -0.2545455 0.2545455 0.5000000), wk = 0.0017921 k( 532) = ( -0.2636364 0.2636364 0.5000000), wk = 0.0017921 k( 533) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0017921 k( 534) = ( -0.2818182 0.2818182 0.5000000), wk = 0.0017921 k( 535) = ( -0.2909091 0.2909091 0.5000000), wk = 0.0017921 k( 536) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0017921 k( 537) = ( -0.3090909 0.3090909 0.5000000), wk = 0.0017921 k( 538) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0017921 k( 539) = ( -0.3272727 0.3272727 0.5000000), wk = 0.0017921 k( 540) = ( -0.3363636 0.3363636 0.5000000), wk = 0.0017921 k( 541) = ( -0.3454546 0.3454545 0.5000000), wk = 0.0017921 k( 542) = ( -0.3545454 0.3545454 0.5000000), wk = 0.0017921 k( 543) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0017921 k( 544) = ( -0.3727273 0.3727273 0.5000000), wk = 0.0017921 k( 545) = ( -0.3818182 0.3818182 0.5000000), wk = 0.0017921 k( 546) = ( -0.3909091 0.3909091 0.5000000), wk = 0.0017921 k( 547) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0017921 k( 548) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0017921 k( 549) = ( -0.4181818 0.4181818 0.5000000), wk = 0.0017921 k( 550) = ( -0.4272727 0.4272727 0.5000000), wk = 0.0017921 k( 551) = ( -0.4363636 0.4363636 0.5000000), wk = 0.0017921 k( 552) = ( -0.4454546 0.4454546 0.5000000), wk = 0.0017921 k( 553) = ( -0.4545455 0.4545455 0.5000000), wk = 0.0017921 k( 554) = ( -0.4636364 0.4636364 0.5000000), wk = 0.0017921 k( 555) = ( -0.4727273 0.4727273 0.5000000), wk = 0.0017921 k( 556) = ( -0.4818182 0.4818182 0.5000000), wk = 0.0017921 k( 557) = ( -0.4909091 0.4909091 0.5000000), wk = 0.0017921 k( 558) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0017921 Dense grid: 22591 G-vectors FFT dimensions: ( 40, 40, 36) Smooth grid: 10003 G-vectors FFT dimensions: ( 30, 30, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 74, 30) NL pseudopotentials 0.04 Mb ( 37, 63) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 628) G-vector shells 0.00 Mb ( 320) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 74, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 63, 2, 30) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./BaO2.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.2 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.4 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.7 secs Computing kpt #: 14 total cpu time spent up to now is 3.8 secs Computing kpt #: 15 total cpu time spent up to now is 3.9 secs Computing kpt #: 16 total cpu time spent up to now is 4.0 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.2 secs Computing kpt #: 19 total cpu time spent up to now is 4.4 secs Computing kpt #: 20 total cpu time spent up to now is 4.5 secs Computing kpt #: 21 total cpu time spent up to now is 4.6 secs Computing kpt #: 22 total cpu time spent up to now is 4.7 secs Computing kpt #: 23 total cpu time spent up to now is 4.9 secs Computing kpt #: 24 total cpu time spent up to now is 5.0 secs Computing kpt #: 25 total cpu time spent up to now is 5.1 secs Computing kpt #: 26 total cpu time spent up to now is 5.2 secs Computing kpt #: 27 total cpu time spent up to now is 5.3 secs Computing kpt #: 28 total cpu time spent up to now is 5.5 secs Computing kpt #: 29 total cpu time spent up to now is 5.6 secs Computing kpt #: 30 total cpu time spent up to now is 5.7 secs Computing kpt #: 31 total cpu time spent up to now is 5.8 secs Computing kpt #: 32 total cpu time spent up to now is 6.0 secs Computing kpt #: 33 total cpu time spent up to now is 6.1 secs Computing kpt #: 34 total cpu time spent up to now is 6.2 secs Computing kpt #: 35 total cpu time spent up to now is 6.3 secs Computing kpt #: 36 total cpu time spent up to now is 6.4 secs Computing kpt #: 37 total cpu time spent up to now is 6.5 secs Computing kpt #: 38 total cpu time spent up to now is 6.7 secs Computing kpt #: 39 total cpu time spent up to now is 6.8 secs Computing kpt #: 40 total cpu time spent up to now is 6.9 secs Computing kpt #: 41 total cpu time spent up to now is 7.1 secs Computing kpt #: 42 total cpu time spent up to now is 7.2 secs Computing kpt #: 43 total cpu time spent up to now is 7.3 secs Computing kpt #: 44 total cpu time spent up to now is 7.4 secs Computing kpt #: 45 total cpu time spent up to now is 7.5 secs Computing kpt #: 46 total cpu time spent up to now is 7.6 secs Computing kpt #: 47 total cpu time spent up to now is 7.7 secs Computing kpt #: 48 total cpu time spent up to now is 7.8 secs Computing kpt #: 49 total cpu time spent up to now is 8.0 secs Computing kpt #: 50 total cpu time spent up to now is 8.1 secs Computing kpt #: 51 total cpu time spent up to now is 8.2 secs Computing kpt #: 52 total cpu time spent up to now is 8.3 secs Computing kpt #: 53 total cpu time spent up to now is 8.4 secs Computing kpt #: 54 total cpu time spent up to now is 8.5 secs Computing kpt #: 55 total cpu time spent up to now is 8.6 secs Computing kpt #: 56 total cpu time spent up to now is 8.7 secs Computing kpt #: 57 total cpu time spent up to now is 8.9 secs Computing kpt #: 58 total cpu time spent up to now is 9.0 secs Computing kpt #: 59 total cpu time spent up to now is 9.1 secs Computing kpt #: 60 total cpu time spent up to now is 9.2 secs Computing kpt #: 61 total cpu time spent up to now is 9.3 secs Computing kpt #: 62 total cpu time spent up to now is 9.4 secs Computing kpt #: 63 total cpu time spent up to now is 9.6 secs Computing kpt #: 64 total cpu time spent up to now is 9.7 secs Computing kpt #: 65 total cpu time spent up to now is 9.8 secs Computing kpt #: 66 total cpu time spent up to now is 9.9 secs Computing kpt #: 67 total cpu time spent up to now is 10.0 secs Computing kpt #: 68 total cpu time spent up to now is 10.1 secs Computing kpt #: 69 total cpu time spent up to now is 10.3 secs Computing kpt #: 70 total cpu time spent up to now is 10.4 secs Computing kpt #: 71 total cpu time spent up to now is 10.5 secs Computing kpt #: 72 total cpu time spent up to now is 10.6 secs Computing kpt #: 73 total cpu time spent up to now is 10.7 secs Computing kpt #: 74 total cpu time spent up to now is 10.9 secs Computing kpt #: 75 total cpu time spent up to now is 11.0 secs Computing kpt #: 76 total cpu time spent up to now is 11.1 secs Computing kpt #: 77 total cpu time spent up to now is 11.2 secs Computing kpt #: 78 total cpu time spent up to now is 11.3 secs Computing kpt #: 79 total cpu time spent up to now is 11.5 secs Computing kpt #: 80 total cpu time spent up to now is 11.6 secs Computing kpt #: 81 total cpu time spent up to now is 11.7 secs Computing kpt #: 82 total cpu time spent up to now is 11.9 secs Computing kpt #: 83 total cpu time spent up to now is 12.0 secs Computing kpt #: 84 total cpu time spent up to now is 12.1 secs Computing kpt #: 85 total cpu time spent up to now is 12.3 secs Computing kpt #: 86 total cpu time spent up to now is 12.4 secs Computing kpt #: 87 total cpu time spent up to now is 12.6 secs Computing kpt #: 88 total cpu time spent up to now is 12.7 secs Computing kpt #: 89 total cpu time spent up to now is 12.9 secs Computing kpt #: 90 total cpu time spent up to now is 13.0 secs Computing kpt #: 91 total cpu time spent up to now is 13.2 secs Computing kpt #: 92 total cpu time spent up to now is 13.3 secs Computing kpt #: 93 total cpu time spent up to now is 13.5 secs Computing kpt #: 94 total cpu time spent up to now is 13.6 secs Computing kpt #: 95 total cpu time spent up to now is 13.8 secs Computing kpt #: 96 total cpu time spent up to now is 13.9 secs Computing kpt #: 97 total cpu time spent up to now is 14.1 secs Computing kpt #: 98 total cpu time spent up to now is 14.2 secs Computing kpt #: 99 total cpu time spent up to now is 14.4 secs Computing kpt #: 100 total cpu time spent up to now is 14.5 secs Computing kpt #: 101 total cpu time spent up to now is 14.7 secs Computing kpt #: 102 total cpu time spent up to now is 14.8 secs Computing kpt #: 103 total cpu time spent up to now is 15.0 secs Computing kpt #: 104 total cpu time spent up to now is 15.1 secs Computing kpt #: 105 total cpu time spent up to now is 15.3 secs Computing kpt #: 106 total cpu time spent up to now is 15.4 secs Computing kpt #: 107 total cpu time spent up to now is 15.6 secs Computing kpt #: 108 total cpu time spent up to now is 15.7 secs Computing kpt #: 109 total cpu time spent up to now is 15.9 secs Computing kpt #: 110 total cpu time spent up to now is 16.0 secs Computing kpt #: 111 total cpu time spent up to now is 16.1 secs Computing kpt #: 112 total cpu time spent up to now is 16.3 secs Computing kpt #: 113 total cpu time spent up to now is 16.4 secs Computing kpt #: 114 total cpu time spent up to now is 16.6 secs Computing kpt #: 115 total cpu time spent up to now is 16.7 secs Computing kpt #: 116 total cpu time spent up to now is 16.9 secs Computing kpt #: 117 total cpu time spent up to now is 17.0 secs Computing kpt #: 118 total cpu time spent up to now is 17.1 secs Computing kpt #: 119 total cpu time spent up to now is 17.3 secs Computing kpt #: 120 total cpu time spent up to now is 17.4 secs Computing kpt #: 121 total cpu time spent up to now is 17.6 secs Computing kpt #: 122 total cpu time spent up to now is 17.7 secs Computing kpt #: 123 total cpu time spent up to now is 17.8 secs Computing kpt #: 124 total cpu time spent up to now is 18.0 secs Computing kpt #: 125 total cpu time spent up to now is 18.1 secs Computing kpt #: 126 total cpu time spent up to now is 18.2 secs Computing kpt #: 127 total cpu time spent up to now is 18.3 secs Computing kpt #: 128 total cpu time spent up to now is 18.5 secs Computing kpt #: 129 total cpu time spent up to now is 18.6 secs Computing kpt #: 130 total cpu time spent up to now is 18.7 secs Computing kpt #: 131 total cpu time spent up to now is 18.8 secs Computing kpt #: 132 total cpu time spent up to now is 19.0 secs Computing kpt #: 133 total cpu time spent up to now is 19.1 secs Computing kpt #: 134 total cpu time spent up to now is 19.2 secs Computing kpt #: 135 total cpu time spent up to now is 19.3 secs Computing kpt #: 136 total cpu time spent up to now is 19.5 secs Computing kpt #: 137 total cpu time spent up to now is 19.6 secs Computing kpt #: 138 total cpu time spent up to now is 19.7 secs Computing kpt #: 139 total cpu time spent up to now is 19.8 secs Computing kpt #: 140 total cpu time spent up to now is 20.0 secs Computing kpt #: 141 total cpu time spent up to now is 20.1 secs Computing kpt #: 142 total cpu time spent up to now is 20.2 secs Computing kpt #: 143 total cpu time spent up to now is 20.3 secs Computing kpt #: 144 total cpu time spent up to now is 20.5 secs Computing kpt #: 145 total cpu time spent up to now is 20.6 secs Computing kpt #: 146 total cpu time spent up to now is 20.7 secs Computing kpt #: 147 total cpu time spent up to now is 20.8 secs Computing kpt #: 148 total cpu time spent up to now is 21.0 secs Computing kpt #: 149 total cpu time spent up to now is 21.1 secs Computing kpt #: 150 total cpu time spent up to now is 21.2 secs Computing kpt #: 151 total cpu time spent up to now is 21.3 secs Computing kpt #: 152 total cpu time spent up to now is 21.5 secs Computing kpt #: 153 total cpu time spent up to now is 21.6 secs Computing kpt #: 154 total cpu time spent up to now is 21.7 secs Computing kpt #: 155 total cpu time spent up to now is 21.8 secs Computing kpt #: 156 total cpu time spent up to now is 22.0 secs Computing kpt #: 157 total cpu time spent up to now is 22.1 secs Computing kpt #: 158 total cpu time spent up to now is 22.3 secs Computing kpt #: 159 total cpu time spent up to now is 22.4 secs Computing kpt #: 160 total cpu time spent up to now is 22.5 secs Computing kpt #: 161 total cpu time spent up to now is 22.6 secs Computing kpt #: 162 total cpu time spent up to now is 22.8 secs Computing kpt #: 163 total cpu time spent up to now is 22.9 secs Computing kpt #: 164 total cpu time spent up to now is 23.0 secs Computing kpt #: 165 total cpu time spent up to now is 23.2 secs Computing kpt #: 166 total cpu time spent up to now is 23.3 secs Computing kpt #: 167 total cpu time spent up to now is 23.4 secs Computing kpt #: 168 total cpu time spent up to now is 23.6 secs Computing kpt #: 169 total cpu time spent up to now is 23.7 secs Computing kpt #: 170 total cpu time spent up to now is 23.9 secs Computing kpt #: 171 total cpu time spent up to now is 24.0 secs Computing kpt #: 172 total cpu time spent up to now is 24.1 secs Computing kpt #: 173 total cpu time spent up to now is 24.3 secs Computing kpt #: 174 total cpu time spent up to now is 24.4 secs Computing kpt #: 175 total cpu time spent up to now is 24.5 secs Computing kpt #: 176 total cpu time spent up to now is 24.6 secs Computing kpt #: 177 total cpu time spent up to now is 24.8 secs Computing kpt #: 178 total cpu time spent up to now is 24.9 secs Computing kpt #: 179 total cpu time spent up to now is 25.0 secs Computing kpt #: 180 total cpu time spent up to now is 25.1 secs Computing kpt #: 181 total cpu time spent up to now is 25.2 secs Computing kpt #: 182 total cpu time spent up to now is 25.4 secs Computing kpt #: 183 total cpu time spent up to now is 25.5 secs Computing kpt #: 184 total cpu time spent up to now is 25.6 secs Computing kpt #: 185 total cpu time spent up to now is 25.7 secs Computing kpt #: 186 total cpu time spent up to now is 25.9 secs Computing kpt #: 187 total cpu time spent up to now is 26.0 secs Computing kpt #: 188 total cpu time spent up to now is 26.1 secs Computing kpt #: 189 total cpu time spent up to now is 26.2 secs Computing kpt #: 190 total cpu time spent up to now is 26.4 secs Computing kpt #: 191 total cpu time spent up to now is 26.5 secs Computing kpt #: 192 total cpu time spent up to now is 26.6 secs Computing kpt #: 193 total cpu time spent up to now is 26.8 secs Computing kpt #: 194 total cpu time spent up to now is 26.9 secs Computing kpt #: 195 total cpu time spent up to now is 27.0 secs Computing kpt #: 196 total cpu time spent up to now is 27.1 secs Computing kpt #: 197 total cpu time spent up to now is 27.3 secs Computing kpt #: 198 total cpu time spent up to now is 27.4 secs Computing kpt #: 199 total cpu time spent up to now is 27.5 secs Computing kpt #: 200 total cpu time spent up to now is 27.6 secs Computing kpt #: 201 total cpu time spent up to now is 27.8 secs Computing kpt #: 202 total cpu time spent up to now is 27.9 secs Computing kpt #: 203 total cpu time spent up to now is 28.0 secs Computing kpt #: 204 total cpu time spent up to now is 28.2 secs Computing kpt #: 205 total cpu time spent up to now is 28.3 secs Computing kpt #: 206 total cpu time spent up to now is 28.4 secs Computing kpt #: 207 total cpu time spent up to now is 28.5 secs Computing kpt #: 208 total cpu time spent up to now is 28.7 secs Computing kpt #: 209 total cpu time spent up to now is 28.8 secs Computing kpt #: 210 total cpu time spent up to now is 28.9 secs Computing kpt #: 211 total cpu time spent up to now is 29.0 secs Computing kpt #: 212 total cpu time spent up to now is 29.1 secs Computing kpt #: 213 total cpu time spent up to now is 29.3 secs Computing kpt #: 214 total cpu time spent up to now is 29.4 secs Computing kpt #: 215 total cpu time spent up to now is 29.5 secs Computing kpt #: 216 total cpu time spent up to now is 29.6 secs Computing kpt #: 217 total cpu time spent up to now is 29.7 secs Computing kpt #: 218 total cpu time spent up to now is 29.9 secs Computing kpt #: 219 total cpu time spent up to now is 30.0 secs Computing kpt #: 220 total cpu time spent up to now is 30.1 secs Computing kpt #: 221 total cpu time spent up to now is 30.2 secs Computing kpt #: 222 total cpu time spent up to now is 30.3 secs Computing kpt #: 223 total cpu time spent up to now is 30.4 secs Computing kpt #: 224 total cpu time spent up to now is 30.6 secs Computing kpt #: 225 total cpu time spent up to now is 30.7 secs Computing kpt #: 226 total cpu time spent up to now is 30.8 secs Computing kpt #: 227 total cpu time spent up to now is 30.9 secs Computing kpt #: 228 total cpu time spent up to now is 31.0 secs Computing kpt #: 229 total cpu time spent up to now is 31.2 secs Computing kpt #: 230 total cpu time spent up to now is 31.3 secs Computing kpt #: 231 total cpu time spent up to now is 31.4 secs Computing kpt #: 232 total cpu time spent up to now is 31.6 secs Computing kpt #: 233 total cpu time spent up to now is 31.7 secs Computing kpt #: 234 total cpu time spent up to now is 31.8 secs Computing kpt #: 235 total cpu time spent up to now is 32.0 secs Computing kpt #: 236 total cpu time spent up to now is 32.1 secs Computing kpt #: 237 total cpu time spent up to now is 32.2 secs Computing kpt #: 238 total cpu time spent up to now is 32.4 secs Computing kpt #: 239 total cpu time spent up to now is 32.5 secs Computing kpt #: 240 total cpu time spent up to now is 32.6 secs Computing kpt #: 241 total cpu time spent up to now is 32.8 secs Computing kpt #: 242 total cpu time spent up to now is 32.9 secs Computing kpt #: 243 total cpu time spent up to now is 33.0 secs Computing kpt #: 244 total cpu time spent up to now is 33.1 secs Computing kpt #: 245 total cpu time spent up to now is 33.3 secs Computing kpt #: 246 total cpu time spent up to now is 33.4 secs Computing kpt #: 247 total cpu time spent up to now is 33.5 secs Computing kpt #: 248 total cpu time spent up to now is 33.7 secs Computing kpt #: 249 total cpu time spent up to now is 33.8 secs Computing kpt #: 250 total cpu time spent up to now is 33.9 secs Computing kpt #: 251 total cpu time spent up to now is 34.1 secs Computing kpt #: 252 total cpu time spent up to now is 34.2 secs Computing kpt #: 253 total cpu time spent up to now is 34.3 secs Computing kpt #: 254 total cpu time spent up to now is 34.4 secs Computing kpt #: 255 total cpu time spent up to now is 34.6 secs Computing kpt #: 256 total cpu time spent up to now is 34.7 secs Computing kpt #: 257 total cpu time spent up to now is 34.8 secs Computing kpt #: 258 total cpu time spent up to now is 34.9 secs Computing kpt #: 259 total cpu time spent up to now is 35.0 secs Computing kpt #: 260 total cpu time spent up to now is 35.2 secs Computing kpt #: 261 total cpu time spent up to now is 35.3 secs Computing kpt #: 262 total cpu time spent up to now is 35.4 secs Computing kpt #: 263 total cpu time spent up to now is 35.6 secs Computing kpt #: 264 total cpu time spent up to now is 35.7 secs Computing kpt #: 265 total cpu time spent up to now is 35.8 secs Computing kpt #: 266 total cpu time spent up to now is 35.9 secs Computing kpt #: 267 total cpu time spent up to now is 36.0 secs Computing kpt #: 268 total cpu time spent up to now is 36.1 secs Computing kpt #: 269 total cpu time spent up to now is 36.2 secs Computing kpt #: 270 total cpu time spent up to now is 36.4 secs Computing kpt #: 271 total cpu time spent up to now is 36.5 secs Computing kpt #: 272 total cpu time spent up to now is 36.6 secs Computing kpt #: 273 total cpu time spent up to now is 36.7 secs Computing kpt #: 274 total cpu time spent up to now is 36.9 secs Computing kpt #: 275 total cpu time spent up to now is 37.1 secs Computing kpt #: 276 total cpu time spent up to now is 37.2 secs Computing kpt #: 277 total cpu time spent up to now is 37.3 secs Computing kpt #: 278 total cpu time spent up to now is 37.4 secs Computing kpt #: 279 total cpu time spent up to now is 37.5 secs Computing kpt #: 280 total cpu time spent up to now is 37.6 secs Computing kpt #: 281 total cpu time spent up to now is 37.8 secs Computing kpt #: 282 total cpu time spent up to now is 37.9 secs Computing kpt #: 283 total cpu time spent up to now is 38.0 secs Computing kpt #: 284 total cpu time spent up to now is 38.1 secs Computing kpt #: 285 total cpu time spent up to now is 38.2 secs Computing kpt #: 286 total cpu time spent up to now is 38.4 secs Computing kpt #: 287 total cpu time spent up to now is 38.5 secs Computing kpt #: 288 total cpu time spent up to now is 38.6 secs Computing kpt #: 289 total cpu time spent up to now is 38.7 secs Computing kpt #: 290 total cpu time spent up to now is 38.8 secs Computing kpt #: 291 total cpu time spent up to now is 38.9 secs Computing kpt #: 292 total cpu time spent up to now is 39.1 secs Computing kpt #: 293 total cpu time spent up to now is 39.2 secs Computing kpt #: 294 total cpu time spent up to now is 39.3 secs Computing kpt #: 295 total cpu time spent up to now is 39.4 secs Computing kpt #: 296 total cpu time spent up to now is 39.5 secs Computing kpt #: 297 total cpu time spent up to now is 39.6 secs Computing kpt #: 298 total cpu time spent up to now is 39.8 secs Computing kpt #: 299 total cpu time spent up to now is 39.9 secs Computing kpt #: 300 total cpu time spent up to now is 40.0 secs Computing kpt #: 301 total cpu time spent up to now is 40.1 secs Computing kpt #: 302 total cpu time spent up to now is 40.2 secs Computing kpt #: 303 total cpu time spent up to now is 40.3 secs Computing kpt #: 304 total cpu time spent up to now is 40.5 secs Computing kpt #: 305 total cpu time spent up to now is 40.6 secs Computing kpt #: 306 total cpu time spent up to now is 40.7 secs Computing kpt #: 307 total cpu time spent up to now is 40.8 secs Computing kpt #: 308 total cpu time spent up to now is 40.9 secs Computing kpt #: 309 total cpu time spent up to now is 41.1 secs Computing kpt #: 310 total cpu time spent up to now is 41.2 secs Computing kpt #: 311 total cpu time spent up to now is 41.3 secs Computing kpt #: 312 total cpu time spent up to now is 41.4 secs Computing kpt #: 313 total cpu time spent up to now is 41.5 secs Computing kpt #: 314 total cpu time spent up to now is 41.7 secs Computing kpt #: 315 total cpu time spent up to now is 41.8 secs Computing kpt #: 316 total cpu time spent up to now is 41.9 secs Computing kpt #: 317 total cpu time spent up to now is 42.0 secs Computing kpt #: 318 total cpu time spent up to now is 42.1 secs Computing kpt #: 319 total cpu time spent up to now is 42.3 secs Computing kpt #: 320 total cpu time spent up to now is 42.4 secs Computing kpt #: 321 total cpu time spent up to now is 42.5 secs Computing kpt #: 322 total cpu time spent up to now is 42.6 secs Computing kpt #: 323 total cpu time spent up to now is 42.8 secs Computing kpt #: 324 total cpu time spent up to now is 42.9 secs Computing kpt #: 325 total cpu time spent up to now is 43.0 secs Computing kpt #: 326 total cpu time spent up to now is 43.2 secs Computing kpt #: 327 total cpu time spent up to now is 43.3 secs Computing kpt #: 328 total cpu time spent up to now is 43.5 secs Computing kpt #: 329 total cpu time spent up to now is 43.6 secs Computing kpt #: 330 total cpu time spent up to now is 43.8 secs Computing kpt #: 331 total cpu time spent up to now is 43.9 secs Computing kpt #: 332 total cpu time spent up to now is 44.0 secs Computing kpt #: 333 total cpu time spent up to now is 44.2 secs Computing kpt #: 334 total cpu time spent up to now is 44.3 secs Computing kpt #: 335 total cpu time spent up to now is 44.5 secs Computing kpt #: 336 total cpu time spent up to now is 44.6 secs Computing kpt #: 337 total cpu time spent up to now is 44.8 secs Computing kpt #: 338 total cpu time spent up to now is 44.9 secs Computing kpt #: 339 total cpu time spent up to now is 45.1 secs Computing kpt #: 340 total cpu time spent up to now is 45.2 secs Computing kpt #: 341 total cpu time spent up to now is 45.4 secs Computing kpt #: 342 total cpu time spent up to now is 45.5 secs Computing kpt #: 343 total cpu time spent up to now is 45.6 secs Computing kpt #: 344 total cpu time spent up to now is 45.8 secs Computing kpt #: 345 total cpu time spent up to now is 45.9 secs Computing kpt #: 346 total cpu time spent up to now is 46.1 secs Computing kpt #: 347 total cpu time spent up to now is 46.2 secs Computing kpt #: 348 total cpu time spent up to now is 46.4 secs Computing kpt #: 349 total cpu time spent up to now is 46.5 secs Computing kpt #: 350 total cpu time spent up to now is 46.6 secs Computing kpt #: 351 total cpu time spent up to now is 46.8 secs Computing kpt #: 352 total cpu time spent up to now is 46.9 secs Computing kpt #: 353 total cpu time spent up to now is 47.1 secs Computing kpt #: 354 total cpu time spent up to now is 47.2 secs Computing kpt #: 355 total cpu time spent up to now is 47.4 secs Computing kpt #: 356 total cpu time spent up to now is 47.5 secs Computing kpt #: 357 total cpu time spent up to now is 47.6 secs Computing kpt #: 358 total cpu time spent up to now is 47.8 secs Computing kpt #: 359 total cpu time spent up to now is 48.0 secs Computing kpt #: 360 total cpu time spent up to now is 48.1 secs Computing kpt #: 361 total cpu time spent up to now is 48.3 secs Computing kpt #: 362 total cpu time spent up to now is 48.5 secs Computing kpt #: 363 total cpu time spent up to now is 48.7 secs Computing kpt #: 364 total cpu time spent up to now is 48.9 secs Computing kpt #: 365 total cpu time spent up to now is 49.1 secs Computing kpt #: 366 total cpu time spent up to now is 49.3 secs Computing kpt #: 367 total cpu time spent up to now is 49.5 secs Computing kpt #: 368 total cpu time spent up to now is 49.6 secs Computing kpt #: 369 total cpu time spent up to now is 49.8 secs Computing kpt #: 370 total cpu time spent up to now is 49.9 secs Computing kpt #: 371 total cpu time spent up to now is 50.0 secs Computing kpt #: 372 total cpu time spent up to now is 50.1 secs Computing kpt #: 373 total cpu time spent up to now is 50.2 secs Computing kpt #: 374 total cpu time spent up to now is 50.4 secs Computing kpt #: 375 total cpu time spent up to now is 50.5 secs Computing kpt #: 376 total cpu time spent up to now is 50.6 secs Computing kpt #: 377 total cpu time spent up to now is 50.7 secs Computing kpt #: 378 total cpu time spent up to now is 50.8 secs Computing kpt #: 379 total cpu time spent up to now is 50.9 secs Computing kpt #: 380 total cpu time spent up to now is 51.1 secs Computing kpt #: 381 total cpu time spent up to now is 51.2 secs Computing kpt #: 382 total cpu time spent up to now is 51.3 secs Computing kpt #: 383 total cpu time spent up to now is 51.4 secs Computing kpt #: 384 total cpu time spent up to now is 51.6 secs Computing kpt #: 385 total cpu time spent up to now is 51.7 secs Computing kpt #: 386 total cpu time spent up to now is 51.8 secs Computing kpt #: 387 total cpu time spent up to now is 51.9 secs Computing kpt #: 388 total cpu time spent up to now is 52.1 secs Computing kpt #: 389 total cpu time spent up to now is 52.3 secs Computing kpt #: 390 total cpu time spent up to now is 52.5 secs Computing kpt #: 391 total cpu time spent up to now is 52.6 secs Computing kpt #: 392 total cpu time spent up to now is 52.7 secs Computing kpt #: 393 total cpu time spent up to now is 52.9 secs Computing kpt #: 394 total cpu time spent up to now is 53.0 secs Computing kpt #: 395 total cpu time spent up to now is 53.1 secs Computing kpt #: 396 total cpu time spent up to now is 53.3 secs Computing kpt #: 397 total cpu time spent up to now is 53.4 secs Computing kpt #: 398 total cpu time spent up to now is 53.6 secs Computing kpt #: 399 total cpu time spent up to now is 53.7 secs Computing kpt #: 400 total cpu time spent up to now is 53.8 secs Computing kpt #: 401 total cpu time spent up to now is 54.0 secs Computing kpt #: 402 total cpu time spent up to now is 54.1 secs Computing kpt #: 403 total cpu time spent up to now is 54.2 secs Computing kpt #: 404 total cpu time spent up to now is 54.4 secs Computing kpt #: 405 total cpu time spent up to now is 54.5 secs Computing kpt #: 406 total cpu time spent up to now is 54.7 secs Computing kpt #: 407 total cpu time spent up to now is 54.8 secs Computing kpt #: 408 total cpu time spent up to now is 54.9 secs Computing kpt #: 409 total cpu time spent up to now is 55.1 secs Computing kpt #: 410 total cpu time spent up to now is 55.2 secs Computing kpt #: 411 total cpu time spent up to now is 55.3 secs Computing kpt #: 412 total cpu time spent up to now is 55.5 secs Computing kpt #: 413 total cpu time spent up to now is 55.6 secs Computing kpt #: 414 total cpu time spent up to now is 55.7 secs Computing kpt #: 415 total cpu time spent up to now is 55.9 secs Computing kpt #: 416 total cpu time spent up to now is 56.0 secs Computing kpt #: 417 total cpu time spent up to now is 56.1 secs Computing kpt #: 418 total cpu time spent up to now is 56.3 secs Computing kpt #: 419 total cpu time spent up to now is 56.4 secs Computing kpt #: 420 total cpu time spent up to now is 56.5 secs Computing kpt #: 421 total cpu time spent up to now is 56.7 secs Computing kpt #: 422 total cpu time spent up to now is 56.8 secs Computing kpt #: 423 total cpu time spent up to now is 56.9 secs Computing kpt #: 424 total cpu time spent up to now is 57.0 secs Computing kpt #: 425 total cpu time spent up to now is 57.1 secs Computing kpt #: 426 total cpu time spent up to now is 57.3 secs Computing kpt #: 427 total cpu time spent up to now is 57.4 secs Computing kpt #: 428 total cpu time spent up to now is 57.5 secs Computing kpt #: 429 total cpu time spent up to now is 57.6 secs Computing kpt #: 430 total cpu time spent up to now is 57.8 secs Computing kpt #: 431 total cpu time spent up to now is 57.9 secs Computing kpt #: 432 total cpu time spent up to now is 58.0 secs Computing kpt #: 433 total cpu time spent up to now is 58.1 secs Computing kpt #: 434 total cpu time spent up to now is 58.2 secs Computing kpt #: 435 total cpu time spent up to now is 58.4 secs Computing kpt #: 436 total cpu time spent up to now is 58.5 secs Computing kpt #: 437 total cpu time spent up to now is 58.6 secs Computing kpt #: 438 total cpu time spent up to now is 58.7 secs Computing kpt #: 439 total cpu time spent up to now is 58.9 secs Computing kpt #: 440 total cpu time spent up to now is 59.0 secs Computing kpt #: 441 total cpu time spent up to now is 59.1 secs Computing kpt #: 442 total cpu time spent up to now is 59.2 secs Computing kpt #: 443 total cpu time spent up to now is 59.4 secs Computing kpt #: 444 total cpu time spent up to now is 59.5 secs Computing kpt #: 445 total cpu time spent up to now is 59.6 secs Computing kpt #: 446 total cpu time spent up to now is 59.7 secs Computing kpt #: 447 total cpu time spent up to now is 59.9 secs Computing kpt #: 448 total cpu time spent up to now is 60.0 secs Computing kpt #: 449 total cpu time spent up to now is 60.1 secs Computing kpt #: 450 total cpu time spent up to now is 60.2 secs Computing kpt #: 451 total cpu time spent up to now is 60.4 secs Computing kpt #: 452 total cpu time spent up to now is 60.5 secs Computing kpt #: 453 total cpu time spent up to now is 60.6 secs Computing kpt #: 454 total cpu time spent up to now is 60.7 secs Computing kpt #: 455 total cpu time spent up to now is 60.9 secs Computing kpt #: 456 total cpu time spent up to now is 61.0 secs Computing kpt #: 457 total cpu time spent up to now is 61.1 secs Computing kpt #: 458 total cpu time spent up to now is 61.3 secs Computing kpt #: 459 total cpu time spent up to now is 61.4 secs Computing kpt #: 460 total cpu time spent up to now is 61.5 secs Computing kpt #: 461 total cpu time spent up to now is 61.6 secs Computing kpt #: 462 total cpu time spent up to now is 61.8 secs Computing kpt #: 463 total cpu time spent up to now is 61.9 secs Computing kpt #: 464 total cpu time spent up to now is 62.0 secs Computing kpt #: 465 total cpu time spent up to now is 62.1 secs Computing kpt #: 466 total cpu time spent up to now is 62.3 secs Computing kpt #: 467 total cpu time spent up to now is 62.4 secs Computing kpt #: 468 total cpu time spent up to now is 62.5 secs Computing kpt #: 469 total cpu time spent up to now is 62.7 secs Computing kpt #: 470 total cpu time spent up to now is 62.8 secs Computing kpt #: 471 total cpu time spent up to now is 62.9 secs Computing kpt #: 472 total cpu time spent up to now is 63.1 secs Computing kpt #: 473 total cpu time spent up to now is 63.2 secs Computing kpt #: 474 total cpu time spent up to now is 63.3 secs Computing kpt #: 475 total cpu time spent up to now is 63.4 secs Computing kpt #: 476 total cpu time spent up to now is 63.6 secs Computing kpt #: 477 total cpu time spent up to now is 63.7 secs Computing kpt #: 478 total cpu time spent up to now is 63.8 secs Computing kpt #: 479 total cpu time spent up to now is 64.0 secs Computing kpt #: 480 total cpu time spent up to now is 64.1 secs Computing kpt #: 481 total cpu time spent up to now is 64.2 secs Computing kpt #: 482 total cpu time spent up to now is 64.3 secs Computing kpt #: 483 total cpu time spent up to now is 64.5 secs Computing kpt #: 484 total cpu time spent up to now is 64.6 secs Computing kpt #: 485 total cpu time spent up to now is 64.7 secs Computing kpt #: 486 total cpu time spent up to now is 64.8 secs Computing kpt #: 487 total cpu time spent up to now is 65.0 secs Computing kpt #: 488 total cpu time spent up to now is 65.1 secs Computing kpt #: 489 total cpu time spent up to now is 65.2 secs Computing kpt #: 490 total cpu time spent up to now is 65.3 secs Computing kpt #: 491 total cpu time spent up to now is 65.4 secs Computing kpt #: 492 total cpu time spent up to now is 65.6 secs Computing kpt #: 493 total cpu time spent up to now is 65.7 secs Computing kpt #: 494 total cpu time spent up to now is 65.8 secs Computing kpt #: 495 total cpu time spent up to now is 65.9 secs Computing kpt #: 496 total cpu time spent up to now is 66.1 secs Computing kpt #: 497 total cpu time spent up to now is 66.2 secs Computing kpt #: 498 total cpu time spent up to now is 66.3 secs Computing kpt #: 499 total cpu time spent up to now is 66.5 secs Computing kpt #: 500 total cpu time spent up to now is 66.6 secs Computing kpt #: 501 total cpu time spent up to now is 66.8 secs Computing kpt #: 502 total cpu time spent up to now is 66.9 secs Computing kpt #: 503 total cpu time spent up to now is 67.0 secs Computing kpt #: 504 total cpu time spent up to now is 67.2 secs Computing kpt #: 505 total cpu time spent up to now is 67.3 secs Computing kpt #: 506 total cpu time spent up to now is 67.4 secs Computing kpt #: 507 total cpu time spent up to now is 67.6 secs Computing kpt #: 508 total cpu time spent up to now is 67.7 secs Computing kpt #: 509 total cpu time spent up to now is 67.8 secs Computing kpt #: 510 total cpu time spent up to now is 68.0 secs Computing kpt #: 511 total cpu time spent up to now is 68.1 secs Computing kpt #: 512 total cpu time spent up to now is 68.2 secs Computing kpt #: 513 total cpu time spent up to now is 68.4 secs Computing kpt #: 514 total cpu time spent up to now is 68.5 secs Computing kpt #: 515 total cpu time spent up to now is 68.6 secs Computing kpt #: 516 total cpu time spent up to now is 68.8 secs Computing kpt #: 517 total cpu time spent up to now is 68.9 secs Computing kpt #: 518 total cpu time spent up to now is 69.0 secs Computing kpt #: 519 total cpu time spent up to now is 69.1 secs Computing kpt #: 520 total cpu time spent up to now is 69.3 secs Computing kpt #: 521 total cpu time spent up to now is 69.4 secs Computing kpt #: 522 total cpu time spent up to now is 69.5 secs Computing kpt #: 523 total cpu time spent up to now is 69.6 secs Computing kpt #: 524 total cpu time spent up to now is 69.8 secs Computing kpt #: 525 total cpu time spent up to now is 69.9 secs Computing kpt #: 526 total cpu time spent up to now is 70.0 secs Computing kpt #: 527 total cpu time spent up to now is 70.1 secs Computing kpt #: 528 total cpu time spent up to now is 70.3 secs Computing kpt #: 529 total cpu time spent up to now is 70.4 secs Computing kpt #: 530 total cpu time spent up to now is 70.5 secs Computing kpt #: 531 total cpu time spent up to now is 70.7 secs Computing kpt #: 532 total cpu time spent up to now is 70.8 secs Computing kpt #: 533 total cpu time spent up to now is 70.9 secs Computing kpt #: 534 total cpu time spent up to now is 71.0 secs Computing kpt #: 535 total cpu time spent up to now is 71.1 secs Computing kpt #: 536 total cpu time spent up to now is 71.3 secs Computing kpt #: 537 total cpu time spent up to now is 71.4 secs Computing kpt #: 538 total cpu time spent up to now is 71.5 secs Computing kpt #: 539 total cpu time spent up to now is 71.6 secs Computing kpt #: 540 total cpu time spent up to now is 71.8 secs Computing kpt #: 541 total cpu time spent up to now is 72.1 secs Computing kpt #: 542 total cpu time spent up to now is 72.2 secs Computing kpt #: 543 total cpu time spent up to now is 72.3 secs Computing kpt #: 544 total cpu time spent up to now is 72.5 secs Computing kpt #: 545 total cpu time spent up to now is 72.6 secs Computing kpt #: 546 total cpu time spent up to now is 72.7 secs Computing kpt #: 547 total cpu time spent up to now is 72.9 secs Computing kpt #: 548 total cpu time spent up to now is 73.0 secs Computing kpt #: 549 total cpu time spent up to now is 73.1 secs Computing kpt #: 550 total cpu time spent up to now is 73.3 secs Computing kpt #: 551 total cpu time spent up to now is 73.4 secs Computing kpt #: 552 total cpu time spent up to now is 73.5 secs Computing kpt #: 553 total cpu time spent up to now is 73.7 secs Computing kpt #: 554 total cpu time spent up to now is 73.8 secs Computing kpt #: 555 total cpu time spent up to now is 73.9 secs Computing kpt #: 556 total cpu time spent up to now is 74.1 secs Computing kpt #: 557 total cpu time spent up to now is 74.2 secs Computing kpt #: 558 total cpu time spent up to now is 74.3 secs ethr = 4.55E-08, avg # of iterations = 15.2 total cpu time spent up to now is 74.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1275 PWs) bands (ev): -12.6648 -12.6648 -7.0744 -7.0744 0.3207 0.3207 2.3580 2.3580 4.1928 4.1928 4.9209 4.9209 7.0067 7.0067 11.0348 11.0348 11.1017 11.1017 12.0994 12.0994 14.7046 14.7046 15.8687 15.8687 20.2416 20.2416 21.9104 21.9104 22.9266 22.9266 k = 0.0062 0.0091-0.0000 ( 1273 PWs) bands (ev): -12.6640 -12.6640 -7.0759 -7.0759 0.3194 0.3194 2.3590 2.3590 4.1933 4.1933 4.9208 4.9208 7.0072 7.0072 11.0376 11.0376 11.1007 11.1007 12.0961 12.0961 14.7041 14.7041 15.8709 15.8709 20.2405 20.2405 21.9092 21.9092 22.9298 22.9298 k = 0.0124 0.0183-0.0000 ( 1269 PWs) bands (ev): -12.6617 -12.6617 -7.0804 -7.0804 0.3156 0.3156 2.3623 2.3623 4.1947 4.1947 4.9208 4.9208 7.0086 7.0086 11.0454 11.0454 11.0986 11.0986 12.0864 12.0864 14.7024 14.7024 15.8777 15.8777 20.2372 20.2372 21.9055 21.9055 22.9391 22.9391 k = 0.0185 0.0274-0.0000 ( 1264 PWs) bands (ev): -12.6578 -12.6578 -7.0877 -7.0877 0.3092 0.3092 2.3677 2.3677 4.1971 4.1971 4.9208 4.9208 7.0110 7.0110 11.0540 11.0540 11.0992 11.0992 12.0702 12.0702 14.6996 14.6996 15.8890 15.8890 20.2317 20.2317 21.8995 21.8995 22.9545 22.9545 k = 0.0247 0.0365-0.0000 ( 1260 PWs) bands (ev): -12.6523 -12.6523 -7.0980 -7.0980 0.3002 0.3002 2.3752 2.3752 4.2004 4.2004 4.9210 4.9210 7.0143 7.0143 11.0545 11.0545 11.1116 11.1116 12.0477 12.0477 14.6957 14.6957 15.9048 15.9048 20.2240 20.2240 21.8912 21.8912 22.9756 22.9756 k = 0.0309 0.0457-0.0000 ( 1260 PWs) bands (ev): -12.6453 -12.6453 -7.1112 -7.1112 0.2886 0.2886 2.3847 2.3847 4.2046 4.2046 4.9214 4.9214 7.0185 7.0185 11.0445 11.0445 11.1381 11.1381 12.0191 12.0191 14.6907 14.6907 15.9250 15.9250 20.2142 20.2142 21.8807 21.8807 23.0019 23.0019 k = 0.0371 0.0548-0.0000 ( 1258 PWs) bands (ev): -12.6368 -12.6368 -7.1271 -7.1271 0.2744 0.2744 2.3962 2.3962 4.2098 4.2098 4.9222 4.9222 7.0236 7.0236 11.0282 11.0282 11.1741 11.1741 11.9846 11.9846 14.6845 14.6845 15.9496 15.9496 20.2023 20.2023 21.8683 21.8683 23.0328 23.0328 k = 0.0432 0.0639-0.0000 ( 1256 PWs) bands (ev): -12.6267 -12.6267 -7.1457 -7.1457 0.2577 0.2577 2.4095 2.4095 4.2159 4.2159 4.9236 4.9236 7.0295 7.0295 11.0078 11.0078 11.2177 11.2177 11.9445 11.9445 14.6772 14.6772 15.9786 15.9786 20.1884 20.1884 21.8542 21.8542 23.0676 23.0676 k = 0.0494 0.0730-0.0000 ( 1262 PWs) bands (ev): -12.6152 -12.6152 -7.1669 -7.1669 0.2384 0.2384 2.4245 2.4245 4.2229 4.2229 4.9257 4.9257 7.0364 7.0364 10.9838 10.9838 11.2677 11.2677 11.8990 11.8990 14.6688 14.6688 16.0119 16.0119 20.1725 20.1725 21.8385 21.8385 23.1056 23.1056 k = 0.0556 0.0822-0.0000 ( 1262 PWs) bands (ev): -12.6022 -12.6022 -7.1907 -7.1907 0.2166 0.2166 2.4412 2.4412 4.2308 4.2308 4.9287 4.9287 7.0440 7.0440 10.9568 10.9568 11.3238 11.3238 11.8486 11.8486 14.6593 14.6593 16.0495 16.0495 20.1548 20.1548 21.8215 21.8215 23.1459 23.1459 k = 0.0618 0.0913-0.0000 ( 1262 PWs) bands (ev): -12.5877 -12.5877 -7.2168 -7.2168 0.1922 0.1922 2.4594 2.4594 4.2397 4.2397 4.9329 4.9329 7.0525 7.0525 10.9269 10.9269 11.3851 11.3851 11.7938 11.7938 14.6488 14.6488 16.0911 16.0911 20.1353 20.1353 21.8034 21.8034 23.1875 23.1875 k = 0.0679 0.1004-0.0000 ( 1258 PWs) bands (ev): -12.5718 -12.5718 -7.2452 -7.2452 0.1652 0.1652 2.4789 2.4789 4.2494 4.2494 4.9383 4.9383 7.0617 7.0617 10.8943 10.8943 11.4509 11.4509 11.7356 11.7356 14.6371 14.6371 16.1369 16.1369 20.1143 20.1143 21.7846 21.7846 23.2297 23.2297 k = 0.0741 0.1096-0.0000 ( 1258 PWs) bands (ev): -12.5545 -12.5545 -7.2757 -7.2757 0.1358 0.1358 2.4996 2.4996 4.2602 4.2602 4.9452 4.9452 7.0717 7.0717 10.8593 10.8593 11.5179 11.5179 11.6770 11.6770 14.6244 14.6244 16.1865 16.1865 20.0918 20.0918 21.7651 21.7651 23.2714 23.2714 k = 0.0803 0.1187-0.0000 ( 1258 PWs) bands (ev): -12.5358 -12.5358 -7.3082 -7.3082 0.1039 0.1039 2.5214 2.5214 4.2718 4.2718 4.9537 4.9537 7.0823 7.0823 10.8220 10.8220 11.5597 11.5597 11.6446 11.6446 14.6107 14.6107 16.2401 16.2401 20.0680 20.0680 21.7452 21.7452 23.3121 23.3121 k = 0.0865 0.1278-0.0000 ( 1250 PWs) bands (ev): -12.5159 -12.5159 -7.3425 -7.3425 0.0695 0.0695 2.5440 2.5440 4.2844 4.2844 4.9639 4.9639 7.0936 7.0936 10.7827 10.7827 11.5154 11.5154 11.6992 11.6992 14.5959 14.5959 16.2973 16.2973 20.0432 20.0432 21.7252 21.7252 23.3511 23.3511 k = 0.0926 0.1370-0.0000 ( 1244 PWs) bands (ev): -12.4946 -12.4946 -7.3785 -7.3785 0.0328 0.0328 2.5674 2.5674 4.2980 4.2980 4.9759 4.9759 7.1055 7.1055 10.7415 10.7415 11.4461 11.4461 11.7798 11.7798 14.5801 14.5801 16.3581 16.3581 20.0175 20.0175 21.7052 21.7052 23.3879 23.3879 k = 0.0988 0.1461-0.0000 ( 1252 PWs) bands (ev): -12.4721 -12.4721 -7.4160 -7.4160 -0.0063 -0.0063 2.5914 2.5914 4.3125 4.3125 4.9899 4.9899 7.1179 7.1179 10.6987 10.6987 11.3713 11.3713 11.8669 11.8669 14.5632 14.5632 16.4223 16.4223 19.9912 19.9912 21.6853 21.6853 23.4222 23.4222 k = 0.1050 0.1552-0.0000 ( 1256 PWs) bands (ev): -12.4484 -12.4484 -7.4548 -7.4548 -0.0476 -0.0476 2.6158 2.6158 4.3280 4.3280 5.0057 5.0057 7.1308 7.1308 10.6544 10.6544 11.2935 11.2935 11.9580 11.9580 14.5454 14.5454 16.4898 16.4898 19.9645 19.9645 21.6657 21.6657 23.4536 23.4536 k = 0.1112 0.1644-0.0000 ( 1256 PWs) bands (ev): -12.4236 -12.4236 -7.4947 -7.4947 -0.0911 -0.0911 2.6405 2.6405 4.3444 4.3444 5.0235 5.0235 7.1442 7.1442 10.6089 10.6089 11.2137 11.2137 12.0522 12.0522 14.5266 14.5266 16.5603 16.5603 19.9377 19.9377 21.6466 21.6466 23.4821 23.4821 k = 0.1173 0.1735-0.0000 ( 1254 PWs) bands (ev): -12.3978 -12.3978 -7.5357 -7.5357 -0.1367 -0.1367 2.6654 2.6654 4.3617 4.3617 5.0432 5.0432 7.1581 7.1581 10.5624 10.5624 11.1325 11.1325 12.1490 12.1490 14.5068 14.5068 16.6337 16.6337 19.9111 19.9111 21.6281 21.6281 23.5075 23.5075 k = 0.1235 0.1826-0.0000 ( 1258 PWs) bands (ev): -12.3709 -12.3709 -7.5774 -7.5774 -0.1843 -0.1843 2.6902 2.6902 4.3798 4.3798 5.0648 5.0648 7.1723 7.1723 10.5151 10.5151 11.0504 11.0504 12.2477 12.2477 14.4861 14.4861 16.7098 16.7098 19.8850 19.8850 21.6103 21.6103 23.5294 23.5294 k = 0.1297 0.1918-0.0000 ( 1262 PWs) bands (ev): -12.3430 -12.3430 -7.6198 -7.6198 -0.2339 -0.2339 2.7150 2.7150 4.3988 4.3988 5.0882 5.0882 7.1868 7.1868 10.4673 10.4673 10.9678 10.9678 12.3481 12.3481 14.4646 14.4646 16.7883 16.7883 19.8596 19.8596 21.5932 21.5932 23.5478 23.5478 k = 0.1359 0.2009-0.0000 ( 1262 PWs) bands (ev): -12.3143 -12.3143 -7.6626 -7.6626 -0.2852 -0.2852 2.7396 2.7396 4.4184 4.4184 5.1133 5.1133 7.2017 7.2017 10.4191 10.4191 10.8853 10.8853 12.4497 12.4497 14.4421 14.4421 16.8689 16.8689 19.8352 19.8352 21.5769 21.5769 23.5623 23.5623 k = 0.1420 0.2100-0.0000 ( 1264 PWs) bands (ev): -12.2848 -12.2848 -7.7056 -7.7056 -0.3382 -0.3382 2.7639 2.7639 4.4386 4.4386 5.1399 5.1399 7.2168 7.2168 10.3708 10.3708 10.8031 10.8031 12.5521 12.5521 14.4188 14.4188 16.9515 16.9515 19.8122 19.8122 21.5616 21.5616 23.5725 23.5725 k = 0.1482 0.2191-0.0000 ( 1264 PWs) bands (ev): -12.2547 -12.2547 -7.7486 -7.7486 -0.3928 -0.3928 2.7878 2.7878 4.4593 4.4593 5.1680 5.1680 7.2322 7.2322 10.3226 10.3226 10.7218 10.7218 12.6550 12.6550 14.3947 14.3947 17.0356 17.0356 19.7908 19.7908 21.5473 21.5473 23.5781 23.5781 k = 0.1544 0.2283-0.0000 ( 1264 PWs) bands (ev): -12.2239 -12.2239 -7.7915 -7.7915 -0.4488 -0.4488 2.8113 2.8113 4.4802 4.4802 5.1973 5.1973 7.2479 7.2479 10.2747 10.2747 10.6418 10.6418 12.7579 12.7579 14.3698 14.3698 17.1211 17.1211 19.7712 19.7712 21.5341 21.5341 23.5786 23.5786 k = 0.1606 0.2374-0.0000 ( 1262 PWs) bands (ev): -12.1925 -12.1925 -7.8340 -7.8340 -0.5061 -0.5061 2.8341 2.8341 4.5012 4.5012 5.2277 5.2277 7.2639 7.2639 10.2274 10.2274 10.5634 10.5634 12.8605 12.8605 14.3442 14.3442 17.2075 17.2075 19.7538 19.7538 21.5222 21.5222 23.5734 23.5734 k = 0.1667 0.2465-0.0000 ( 1258 PWs) bands (ev): -12.1608 -12.1608 -7.8760 -7.8760 -0.5646 -0.5646 2.8564 2.8564 4.5220 4.5220 5.2589 5.2589 7.2802 7.2802 10.1809 10.1809 10.4871 10.4871 12.9624 12.9624 14.3179 14.3179 17.2946 17.2946 19.7388 19.7388 21.5115 21.5115 23.5620 23.5620 k = 0.1729 0.2557-0.0000 ( 1256 PWs) bands (ev): -12.1288 -12.1288 -7.9172 -7.9172 -0.6242 -0.6242 2.8780 2.8780 4.5425 4.5425 5.2907 5.2907 7.2969 7.2969 10.1355 10.1355 10.4132 10.4132 13.0632 13.0632 14.2909 14.2909 17.3819 17.3819 19.7264 19.7264 21.5022 21.5022 23.5440 23.5440 k = 0.1791 0.2648-0.0000 ( 1256 PWs) bands (ev): -12.0966 -12.0966 -7.9575 -7.9575 -0.6847 -0.6847 2.8988 2.8988 4.5624 4.5624 5.3228 5.3228 7.3140 7.3140 10.0912 10.0912 10.3422 10.3422 13.1627 13.1627 14.2632 14.2632 17.4691 17.4691 19.7168 19.7168 21.4945 21.4945 23.5187 23.5187 k = 0.1853 0.2739-0.0000 ( 1256 PWs) bands (ev): -12.0643 -12.0643 -7.9966 -7.9966 -0.7460 -0.7460 2.9187 2.9187 4.5815 4.5815 5.3551 5.3551 7.3317 7.3317 10.0484 10.0484 10.2743 10.2743 13.2604 13.2604 14.2350 14.2350 17.5557 17.5557 19.7100 19.7100 21.4884 21.4884 23.4860 23.4860 k = 0.1914 0.2831-0.0000 ( 1256 PWs) bands (ev): -12.0321 -12.0321 -8.0344 -8.0344 -0.8079 -0.8079 2.9378 2.9378 4.5994 4.5994 5.3871 5.3871 7.3502 7.3502 10.0072 10.0072 10.2100 10.2100 13.3561 13.3561 14.2063 14.2063 17.6413 17.6413 19.7063 19.7063 21.4843 21.4843 23.4457 23.4457 k = 0.1976 0.2922-0.0000 ( 1258 PWs) bands (ev): -12.0001 -12.0001 -8.0706 -8.0706 -0.8704 -0.8704 2.9558 2.9558 4.6159 4.6159 5.4187 5.4187 7.3695 7.3695 9.9678 9.9678 10.1495 10.1495 13.4494 13.4494 14.1770 14.1770 17.7255 17.7255 19.7057 19.7057 21.4823 21.4823 23.3977 23.3977 k = 0.2038 0.3013-0.0000 ( 1258 PWs) bands (ev): -11.9684 -11.9684 -8.1051 -8.1051 -0.9333 -0.9333 2.9727 2.9727 4.6307 4.6307 5.4496 5.4496 7.3899 7.3899 9.9304 9.9304 10.0932 10.0932 13.5401 13.5401 14.1473 14.1473 17.8078 17.8078 19.7082 19.7082 21.4826 21.4826 23.3425 23.3425 k = 0.2100 0.3105-0.0000 ( 1258 PWs) bands (ev): -11.9372 -11.9372 -8.1376 -8.1376 -0.9965 -0.9965 2.9885 2.9885 4.6435 4.6435 5.4795 5.4795 7.4116 7.4116 9.8952 9.8952 10.0413 10.0413 13.6280 13.6280 14.1173 14.1173 17.8877 17.8877 19.7136 19.7136 21.4855 21.4855 23.2804 23.2804 k = 0.2161 0.3196-0.0000 ( 1258 PWs) bands (ev): -11.9066 -11.9066 -8.1680 -8.1680 -1.0598 -1.0598 3.0029 3.0029 4.6542 4.6542 5.5081 5.5081 7.4348 7.4348 9.8622 9.8622 9.9942 9.9942 13.7127 13.7127 14.0869 14.0869 17.9648 17.9648 19.7220 19.7220 21.4914 21.4914 23.2121 23.2121 k = 0.2223 0.3287-0.0000 ( 1264 PWs) bands (ev): -11.8768 -11.8768 -8.1961 -8.1961 -1.1232 -1.1232 3.0159 3.0159 4.6624 4.6624 5.5352 5.5352 7.4597 7.4597 9.8316 9.8316 9.9519 9.9519 13.7941 13.7941 14.0562 14.0562 18.0385 18.0385 19.7330 19.7330 21.5006 21.5006 23.1384 23.1384 k = 0.2285 0.3378-0.0000 ( 1264 PWs) bands (ev): -11.8479 -11.8479 -8.2217 -8.2217 -1.1866 -1.1866 3.0273 3.0273 4.6680 4.6680 5.5608 5.5608 7.4866 7.4866 9.8034 9.8034 9.9148 9.9148 13.8718 13.8718 14.0255 14.0255 18.1085 18.1085 19.7465 19.7465 21.5134 21.5134 23.0603 23.0603 k = 0.2347 0.3470-0.0000 ( 1264 PWs) bands (ev): -11.8200 -11.8200 -8.2446 -8.2446 -1.2497 -1.2497 3.0369 3.0369 4.6708 4.6708 5.5845 5.5845 7.5157 7.5157 9.7778 9.7778 9.8830 9.8830 13.9445 13.9445 13.9960 13.9960 18.1742 18.1742 19.7621 19.7621 21.5304 21.5304 22.9785 22.9785 k = 0.2408 0.3561-0.0000 ( 1260 PWs) bands (ev): -11.7934 -11.7934 -8.2647 -8.2647 -1.3126 -1.3126 3.0446 3.0446 4.6707 4.6707 5.6063 5.6063 7.5470 7.5470 9.7548 9.7548 9.8566 9.8566 13.9599 13.9599 14.0201 14.0201 18.2352 18.2352 19.7793 19.7793 21.5520 21.5520 22.8941 22.8941 k = 0.2470 0.3652-0.0000 ( 1260 PWs) bands (ev): -11.7681 -11.7681 -8.2818 -8.2818 -1.3751 -1.3751 3.0502 3.0502 4.6677 4.6677 5.6261 5.6261 7.5809 7.5809 9.7345 9.7345 9.8354 9.8354 13.9297 13.9297 14.0858 14.0858 18.2911 18.2911 19.7978 19.7978 21.5787 21.5787 22.8080 22.8080 k = 0.2532 0.3744-0.0000 ( 1260 PWs) bands (ev): -11.7442 -11.7442 -8.2957 -8.2957 -1.4372 -1.4372 3.0534 3.0534 4.6617 4.6617 5.6440 5.6440 7.6172 7.6172 9.7171 9.7171 9.8196 9.8196 13.8985 13.8985 14.1489 14.1489 18.3416 18.3416 19.8169 19.8169 21.6109 21.6109 22.7208 22.7208 k = 0.2594 0.3835-0.0000 ( 1260 PWs) bands (ev): -11.7219 -11.7219 -8.3065 -8.3065 -1.4987 -1.4987 3.0540 3.0540 4.6529 4.6529 5.6600 5.6600 7.6560 7.6560 9.7028 9.7028 9.8087 9.8087 13.8670 13.8670 14.2084 14.2084 18.3862 18.3862 19.8363 19.8363 21.6492 21.6492 22.6334 22.6334 k = 0.2655 0.3926-0.0000 ( 1262 PWs) bands (ev): -11.7013 -11.7013 -8.3139 -8.3139 -1.5595 -1.5595 3.0518 3.0518 4.6416 4.6416 5.6740 5.6740 7.6973 7.6973 9.6918 9.6918 9.8028 9.8028 13.8356 13.8356 14.2643 14.2643 18.4249 18.4249 19.8552 19.8552 21.6939 21.6939 22.5463 22.5463 k = 0.2717 0.4018-0.0000 ( 1262 PWs) bands (ev): -11.6825 -11.6825 -8.3179 -8.3179 -1.6196 -1.6196 3.0464 3.0464 4.6278 4.6278 5.6863 5.6863 7.7409 7.7409 9.6842 9.6842 9.8015 9.8015 13.8042 13.8042 14.3167 14.3167 18.4573 18.4573 19.8733 19.8733 21.7455 21.7455 22.4599 22.4599 k = 0.2779 0.4109-0.0000 ( 1262 PWs) bands (ev): -11.6655 -11.6655 -8.3184 -8.3184 -1.6789 -1.6789 3.0378 3.0378 4.6121 4.6121 5.6968 5.6968 7.7866 7.7866 9.6800 9.6800 9.8046 9.8046 13.7730 13.7730 14.3656 14.3656 18.4834 18.4834 19.8901 19.8901 21.8043 21.8043 22.3748 22.3748 k = 0.2841 0.4200-0.0000 ( 1262 PWs) bands (ev): -11.6503 -11.6503 -8.3155 -8.3155 -1.7373 -1.7373 3.0256 3.0256 4.5948 4.5948 5.7056 5.7056 7.8344 7.8344 9.6793 9.6793 9.8120 9.8120 13.7420 13.7420 14.4113 14.4113 18.5032 18.5032 19.9051 19.9051 21.8704 21.8704 22.2909 22.2909 k = 0.2902 0.4292-0.0000 ( 1258 PWs) bands (ev): -11.6371 -11.6371 -8.3091 -8.3091 -1.7947 -1.7947 3.0095 3.0095 4.5762 4.5762 5.7130 5.7130 7.8838 7.8838 9.6821 9.6821 9.8235 9.8235 13.7112 13.7112 14.4537 14.4537 18.5166 18.5166 19.9181 19.9181 21.9440 21.9440 22.2087 22.2087 k = 0.2964 0.4383-0.0000 ( 1254 PWs) bands (ev): -11.6258 -11.6258 -8.2993 -8.2993 -1.8511 -1.8511 2.9894 2.9894 4.5570 4.5570 5.7189 5.7189 7.9346 7.9346 9.6884 9.6884 9.8389 9.8389 13.6808 13.6808 14.4931 14.4931 18.5240 18.5240 19.9289 19.9289 22.0246 22.0246 22.1284 22.1284 k = 0.3026 0.4474-0.0000 ( 1258 PWs) bands (ev): -11.6164 -11.6164 -8.2861 -8.2861 -1.9064 -1.9064 2.9651 2.9651 4.5375 4.5375 5.7235 5.7235 7.9865 7.9865 9.6980 9.6980 9.8582 9.8582 13.6506 13.6506 14.5297 14.5297 18.5255 18.5255 19.9373 19.9373 22.0460 22.0460 22.1162 22.1162 k = 0.3088 0.4566-0.0000 ( 1258 PWs) bands (ev): -11.6089 -11.6089 -8.2697 -8.2697 -1.9605 -1.9605 2.9366 2.9366 4.5182 4.5182 5.7268 5.7268 8.0392 8.0392 9.7109 9.7109 9.8810 9.8810 13.6209 13.6209 14.5636 14.5636 18.5214 18.5214 19.9432 19.9432 21.9689 21.9689 22.2110 22.2110 k = 0.3149 0.4657-0.0000 ( 1258 PWs) bands (ev): -11.6032 -11.6032 -8.2501 -8.2501 -2.0134 -2.0134 2.9037 2.9037 4.4995 4.4995 5.7289 5.7289 8.0923 8.0923 9.7269 9.7269 9.9074 9.9074 13.5917 13.5917 14.5950 14.5950 18.5121 18.5121 19.9466 19.9466 21.8919 21.8919 22.3138 22.3138 k = 0.3211 0.4748-0.0000 ( 1258 PWs) bands (ev): -11.5993 -11.5993 -8.2275 -8.2275 -2.0650 -2.0650 2.8665 2.8665 4.4817 4.4817 5.7301 5.7301 8.1455 8.1455 9.7457 9.7457 9.9371 9.9371 13.5629 13.5629 14.6242 14.6242 18.4979 18.4979 19.9478 19.9478 21.8156 21.8156 22.4235 22.4235 k = 0.3273 0.4839-0.0000 ( 1258 PWs) bands (ev): -11.5970 -11.5970 -8.2021 -8.2021 -2.1153 -2.1153 2.8252 2.8252 4.4650 4.4650 5.7302 5.7302 8.1985 8.1985 9.7674 9.7674 9.9701 9.9701 13.5348 13.5348 14.6512 14.6512 18.4795 18.4795 19.9466 19.9466 21.7399 21.7399 22.5397 22.5397 k = 0.3335 0.4931-0.0000 ( 1250 PWs) bands (ev): -11.5963 -11.5963 -8.1740 -8.1740 -2.1643 -2.1643 2.7799 2.7799 4.4497 4.4497 5.7294 5.7294 8.2510 8.2510 9.7915 9.7915 10.0062 10.0062 13.5071 13.5071 14.6763 14.6763 18.4572 18.4572 19.9435 19.9435 21.6646 21.6646 22.6618 22.6618 k = 0.3396 0.5022-0.0000 ( 1250 PWs) bands (ev): -11.5970 -11.5970 -8.1436 -8.1436 -2.2118 -2.2118 2.7310 2.7310 4.4359 4.4359 5.7278 5.7278 8.3027 8.3027 9.8179 9.8179 10.0452 10.0452 13.4801 13.4801 14.6996 14.6996 18.4315 18.4315 19.9384 19.9384 21.5895 21.5895 22.7895 22.7895 k = 0.3458 0.5113-0.0000 ( 1250 PWs) bands (ev): -11.5990 -11.5990 -8.1109 -8.1109 -2.2579 -2.2579 2.6787 2.6787 4.4236 4.4236 5.7256 5.7256 8.3534 8.3534 9.8464 9.8464 10.0869 10.0869 13.4538 13.4538 14.7213 14.7213 18.4029 18.4029 19.9317 19.9317 21.5144 21.5144 22.9225 22.9225 k = 0.3520 0.5205-0.0000 ( 1250 PWs) bands (ev): -11.6022 -11.6022 -8.0763 -8.0763 -2.3024 -2.3024 2.6235 2.6235 4.4129 4.4129 5.7226 5.7226 8.4027 8.4027 9.8767 9.8767 10.1311 10.1311 13.4281 13.4281 14.7414 14.7414 18.3720 18.3720 19.9235 19.9235 21.4393 21.4393 23.0602 23.0602 k = 0.3582 0.5296-0.0000 ( 1250 PWs) bands (ev): -11.6065 -11.6065 -8.0401 -8.0401 -2.3454 -2.3454 2.5659 2.5659 4.4036 4.4036 5.7192 5.7192 8.4505 8.4505 9.9086 9.9086 10.1777 10.1777 13.4032 13.4032 14.7602 14.7602 18.3392 18.3392 19.9140 19.9140 21.3640 21.3640 23.2024 23.2024 k = 0.3643 0.5387-0.0000 ( 1250 PWs) bands (ev): -11.6117 -11.6117 -8.0025 -8.0025 -2.3869 -2.3869 2.5061 2.5061 4.3957 4.3957 5.7153 5.7153 8.4966 8.4966 9.9419 9.9419 10.2262 10.2262 13.3791 13.3791 14.7778 14.7778 18.3050 18.3050 19.9034 19.9034 21.2887 21.2887 23.3486 23.3486 k = 0.3643 0.5387-0.0000 ( 1250 PWs) bands (ev): -11.6117 -11.6117 -8.0025 -8.0025 -2.3869 -2.3869 2.5061 2.5061 4.3957 4.3957 5.7153 5.7153 8.4966 8.4966 9.9419 9.9419 10.2262 10.2262 13.3791 13.3791 14.7778 14.7778 18.3050 18.3050 19.9034 19.9034 21.2887 21.2887 23.3486 23.3486 k = 0.3533 0.5387-0.0000 ( 1250 PWs) bands (ev): -11.6090 -11.6090 -8.0238 -8.0238 -2.3618 -2.3618 2.5396 2.5396 4.3982 4.3982 5.7167 5.7167 8.4733 8.4733 9.9229 9.9229 10.1989 10.1989 13.3939 13.3939 14.7670 14.7670 18.3210 18.3210 19.9110 19.9110 21.3296 21.3296 23.2666 23.2666 k = 0.3423 0.5387-0.0000 ( 1250 PWs) bands (ev): -11.6074 -11.6074 -8.0449 -8.0449 -2.3325 -2.3325 2.5719 2.5719 4.3976 4.3976 5.7163 5.7163 8.4541 8.4541 9.9040 9.9040 10.1724 10.1724 13.4113 13.4113 14.7537 14.7537 18.3300 18.3300 19.9209 19.9209 21.3664 21.3664 23.1892 23.1892 k = 0.3312 0.5387-0.0000 ( 1252 PWs) bands (ev): -11.6068 -11.6068 -8.0657 -8.0657 -2.2988 -2.2988 2.6025 2.6025 4.3939 4.3939 5.7144 5.7144 8.4391 8.4391 9.8852 9.8852 10.1467 10.1467 13.4315 13.4315 14.7383 14.7383 18.3323 18.3323 19.9323 19.9323 21.3971 21.3971 23.1204 23.1204 k = 0.3202 0.5387-0.0000 ( 1254 PWs) bands (ev): -11.6071 -11.6071 -8.0862 -8.0862 -2.2609 -2.2609 2.6311 2.6311 4.3873 4.3873 5.7112 5.7112 8.4285 8.4285 9.8664 9.8664 10.1219 10.1219 13.4541 13.4541 14.7210 14.7210 18.3282 18.3282 19.9442 19.9442 21.4198 21.4198 23.0638 23.0638 k = 0.3091 0.5387-0.0000 ( 1254 PWs) bands (ev): -11.6082 -11.6082 -8.1064 -8.1064 -2.2190 -2.2190 2.6573 2.6573 4.3779 4.3779 5.7067 5.7067 8.4224 8.4224 9.8477 9.8477 10.0979 10.0979 13.4792 13.4792 14.7021 14.7021 18.3181 18.3181 19.9552 19.9552 21.4329 21.4329 23.0230 23.0230 k = 0.2981 0.5387-0.0000 ( 1252 PWs) bands (ev): -11.6101 -11.6101 -8.1262 -8.1262 -2.1731 -2.1731 2.6806 2.6806 4.3659 4.3659 5.7014 5.7014 8.4205 8.4205 9.8292 9.8292 10.0746 10.0746 13.5065 13.5065 14.6818 14.6818 18.3025 18.3025 19.9636 19.9636 21.4362 21.4362 23.0006 23.0006 k = 0.2871 0.5387-0.0000 ( 1252 PWs) bands (ev): -11.6127 -11.6127 -8.1457 -8.1457 -2.1233 -2.1233 2.7006 2.7006 4.3516 4.3516 5.6954 5.6954 8.4230 8.4230 9.8108 9.8108 10.0521 10.0521 13.5359 13.5359 14.6606 14.6606 18.2820 18.2820 19.9675 19.9675 21.4305 21.4305 22.9975 22.9975 k = 0.2760 0.5387-0.0000 ( 1256 PWs) bands (ev): -11.6160 -11.6160 -8.1647 -8.1647 -2.0699 -2.0699 2.7167 2.7167 4.3354 4.3354 5.6891 5.6891 8.4297 8.4297 9.7926 9.7926 10.0301 10.0301 13.5671 13.5671 14.6385 14.6385 18.2571 18.2571 19.9649 19.9649 21.4184 21.4184 23.0137 23.0137 k = 0.2650 0.5387-0.0000 ( 1254 PWs) bands (ev): -11.6198 -11.6198 -8.1834 -8.1834 -2.0130 -2.0130 2.7285 2.7285 4.3178 4.3178 5.6826 5.6826 8.4403 8.4403 9.7746 9.7746 10.0086 10.0086 13.6000 13.6000 14.6160 14.6160 18.2283 18.2283 19.9541 19.9541 21.4033 21.4033 23.0474 23.0474 k = 0.2539 0.5387-0.0000 ( 1252 PWs) bands (ev): -11.6241 -11.6241 -8.2016 -8.2016 -1.9528 -1.9528 2.7354 2.7354 4.2992 4.2992 5.6761 5.6761 8.4548 8.4548 9.7569 9.7569 9.9876 9.9876 13.6343 13.6343 14.5933 14.5933 18.1962 18.1962 19.9334 19.9334 21.3890 21.3890 23.0966 23.0966 k = 0.2429 0.5387-0.0000 ( 1252 PWs) bands (ev): -11.6289 -11.6289 -8.2193 -8.2193 -1.8895 -1.8895 2.7371 2.7371 4.2802 4.2802 5.6699 5.6699 8.4729 8.4729 9.7395 9.7395 9.9669 9.9669 13.6699 13.6699 14.5705 14.5705 18.1610 18.1610 19.9021 19.9021 21.3787 21.3787 23.1586 23.1586 k = 0.2319 0.5387-0.0000 ( 1253 PWs) bands (ev): -11.6340 -11.6340 -8.2366 -8.2366 -1.8233 -1.8233 2.7329 2.7329 4.2614 4.2614 5.6640 5.6640 8.4944 8.4944 9.7225 9.7225 9.9464 9.9464 13.7064 13.7064 14.5480 14.5480 18.1233 18.1233 19.8599 19.8599 21.3749 21.3749 23.2313 23.2313 k = 0.2208 0.5387-0.0000 ( 1253 PWs) bands (ev): -11.6394 -11.6394 -8.2533 -8.2533 -1.7545 -1.7545 2.7227 2.7227 4.2433 4.2433 5.6587 5.6587 8.5191 8.5191 9.7059 9.7059 9.9259 9.9259 13.7436 13.7436 14.5260 14.5260 18.0834 18.0834 19.8079 19.8079 21.3786 21.3786 23.3126 23.3126 k = 0.2098 0.5387-0.0000 ( 1251 PWs) bands (ev): -11.6450 -11.6450 -8.2694 -8.2694 -1.6834 -1.6834 2.7062 2.7062 4.2263 4.2263 5.6540 5.6540 8.5468 8.5468 9.6897 9.6897 9.9054 9.9054 13.7813 13.7813 14.5046 14.5046 18.0418 18.0418 19.7473 19.7473 21.3901 21.3901 23.4007 23.4007 k = 0.1987 0.5387-0.0000 ( 1248 PWs) bands (ev): -11.6508 -11.6508 -8.2849 -8.2849 -1.6102 -1.6102 2.6834 2.6834 4.2109 4.2109 5.6500 5.6500 8.5772 8.5772 9.6741 9.6741 9.8847 9.8847 13.8192 13.8192 14.4840 14.4840 17.9986 17.9986 19.6800 19.6800 21.4086 21.4086 23.4942 23.4942 k = 0.1877 0.5387-0.0000 ( 1248 PWs) bands (ev): -11.6566 -11.6566 -8.2998 -8.2998 -1.5352 -1.5352 2.6543 2.6543 4.1972 4.1972 5.6466 5.6466 8.6100 8.6100 9.6590 9.6590 9.8636 9.8636 13.8571 13.8571 14.4644 14.4644 17.9543 17.9543 19.6081 19.6081 21.4332 21.4332 23.5920 23.5920 k = 0.1767 0.5387-0.0000 ( 1248 PWs) bands (ev): -11.6625 -11.6625 -8.3140 -8.3140 -1.4589 -1.4589 2.6192 2.6192 4.1856 4.1856 5.6438 5.6438 8.6452 8.6452 9.6445 9.6445 9.8420 9.8420 13.8946 13.8946 14.4458 14.4458 17.9093 17.9093 19.5336 19.5336 21.4626 21.4626 23.6931 23.6931 k = 0.1656 0.5387-0.0000 ( 1250 PWs) bands (ev): -11.6683 -11.6683 -8.3275 -8.3275 -1.3816 -1.3816 2.5786 2.5786 4.1760 4.1760 5.6417 5.6417 8.6823 8.6823 9.6306 9.6306 9.8198 9.8198 13.9314 13.9314 14.4283 14.4283 17.8638 17.8638 19.4581 19.4581 21.4956 21.4956 23.7967 23.7967 k = 0.1546 0.5387-0.0000 ( 1251 PWs) bands (ev): -11.6741 -11.6741 -8.3403 -8.3403 -1.3037 -1.3037 2.5329 2.5329 4.1683 4.1683 5.6402 5.6402 8.7213 8.7213 9.6175 9.6175 9.7967 9.7967 13.9675 13.9675 14.4121 14.4121 17.8183 17.8183 19.3833 19.3833 21.5309 21.5309 23.9020 23.9020 k = 0.1435 0.5387-0.0000 ( 1251 PWs) bands (ev): -11.6796 -11.6796 -8.3524 -8.3524 -1.2257 -1.2257 2.4831 2.4831 4.1625 4.1625 5.6393 5.6393 8.7619 8.7619 9.6050 9.6050 9.7728 9.7728 14.0023 14.0023 14.3972 14.3972 17.7731 17.7731 19.3104 19.3104 21.5676 21.5676 24.0084 24.0084 k = 0.1325 0.5387-0.0000 ( 1258 PWs) bands (ev): -11.6850 -11.6850 -8.3637 -8.3637 -1.1482 -1.1482 2.4298 2.4298 4.1582 4.1582 5.6388 5.6388 8.8038 8.8038 9.5933 9.5933 9.7478 9.7478 14.0358 14.0358 14.3836 14.3836 17.7287 17.7287 19.2405 19.2405 21.6047 21.6047 24.1153 24.1153 k = 0.1214 0.5387-0.0000 ( 1259 PWs) bands (ev): -11.6901 -11.6901 -8.3741 -8.3741 -1.0718 -1.0718 2.3741 2.3741 4.1554 4.1554 5.6387 5.6387 8.8469 8.8469 9.5824 9.5824 9.7217 9.7217 14.0676 14.0676 14.3713 14.3713 17.6855 17.6855 19.1744 19.1744 21.6413 21.6413 24.2221 24.2221 k = 0.1104 0.5387-0.0000 ( 1263 PWs) bands (ev): -11.6950 -11.6950 -8.3838 -8.3838 -0.9972 -0.9972 2.3170 2.3170 4.1537 4.1537 5.6389 5.6389 8.8909 8.8909 9.5723 9.5723 9.6943 9.6943 14.0975 14.0975 14.3604 14.3604 17.6439 17.6439 19.1127 19.1127 21.6769 21.6769 24.3280 24.3280 k = 0.0994 0.5387-0.0000 ( 1259 PWs) bands (ev): -11.6995 -11.6995 -8.3926 -8.3926 -0.9250 -0.9250 2.2597 2.2597 4.1529 4.1529 5.6394 5.6394 8.9357 8.9357 9.5631 9.5631 9.6657 9.6657 14.1252 14.1252 14.3508 14.3508 17.6045 17.6045 19.0561 19.0561 21.7107 21.7107 24.4319 24.4319 k = 0.0883 0.5387-0.0000 ( 1260 PWs) bands (ev): -11.7036 -11.7036 -8.4005 -8.4005 -0.8562 -0.8562 2.2032 2.2032 4.1528 4.1528 5.6401 5.6401 8.9809 8.9809 9.5547 9.5547 9.6357 9.6357 14.1505 14.1505 14.3425 14.3425 17.5677 17.5677 19.0049 19.0049 21.7423 21.7423 24.5306 24.5306 k = 0.0773 0.5387-0.0000 ( 1258 PWs) bands (ev): -11.7073 -11.7073 -8.4075 -8.4075 -0.7918 -0.7918 2.1490 2.1490 4.1532 4.1532 5.6408 5.6408 9.0265 9.0265 9.5470 9.5470 9.6045 9.6045 14.1731 14.1731 14.3356 14.3356 17.5339 17.5339 18.9593 18.9593 21.7711 21.7711 24.5973 24.5973 k = 0.0662 0.5387-0.0000 ( 1261 PWs) bands (ev): -11.7106 -11.7106 -8.4137 -8.4137 -0.7326 -0.7326 2.0981 2.0981 4.1538 4.1538 5.6416 5.6416 9.0721 9.0721 9.5397 9.5397 9.5723 9.5723 14.1929 14.1929 14.3298 14.3298 17.5037 17.5037 18.9195 18.9195 21.7969 21.7969 24.5937 24.5937 k = 0.0552 0.5387-0.0000 ( 1262 PWs) bands (ev): -11.7134 -11.7134 -8.4189 -8.4189 -0.6800 -0.6800 2.0520 2.0520 4.1546 4.1546 5.6424 5.6424 9.1176 9.1176 9.5284 9.5284 9.5438 9.5438 14.2097 14.2097 14.3254 14.3254 17.4773 17.4773 18.8857 18.8857 21.8193 21.8193 24.5794 24.5794 k = 0.0442 0.5387-0.0000 ( 1264 PWs) bands (ev): -11.7157 -11.7157 -8.4232 -8.4232 -0.6348 -0.6348 2.0120 2.0120 4.1554 4.1554 5.6432 5.6432 9.1626 9.1626 9.4985 9.4985 9.5335 9.5335 14.2234 14.2234 14.3221 14.3221 17.4552 17.4552 18.8579 18.8579 21.8379 21.8379 24.5662 24.5662 k = 0.0331 0.5387-0.0000 ( 1264 PWs) bands (ev): -11.7176 -11.7176 -8.4265 -8.4265 -0.5983 -0.5983 1.9794 1.9794 4.1561 4.1561 5.6438 5.6438 9.2070 9.2070 9.4623 9.4623 9.5291 9.5291 14.2338 14.2338 14.3199 14.3199 17.4377 17.4377 18.8363 18.8363 21.8526 21.8526 24.5554 24.5554 k = 0.0221 0.5387-0.0000 ( 1262 PWs) bands (ev): -11.7189 -11.7189 -8.4289 -8.4289 -0.5714 -0.5714 1.9551 1.9551 4.1567 4.1567 5.6442 5.6442 9.2501 9.2501 9.4249 9.4249 9.5263 9.5263 14.2411 14.2411 14.3186 14.3186 17.4250 17.4250 18.8208 18.8208 21.8633 21.8633 24.5475 24.5475 k = 0.0110 0.5387-0.0000 ( 1262 PWs) bands (ev): -11.7197 -11.7197 -8.4304 -8.4304 -0.5549 -0.5549 1.9402 1.9402 4.1571 4.1571 5.6445 5.6445 9.2903 9.2903 9.3880 9.3880 9.5247 9.5247 14.2454 14.2454 14.3180 14.3180 17.4173 17.4173 18.8116 18.8116 21.8697 21.8697 24.5427 24.5427 k = 0.0000 0.5387-0.0000 ( 1268 PWs) bands (ev): -11.7199 -11.7199 -8.4309 -8.4309 -0.5494 -0.5494 1.9352 1.9352 4.1572 4.1572 5.6446 5.6446 9.3147 9.3147 9.3647 9.3647 9.5241 9.5241 14.2468 14.2468 14.3178 14.3178 17.4147 17.4147 18.8084 18.8084 21.8718 21.8718 24.5411 24.5411 k = 0.0000 0.5387-0.0000 ( 1268 PWs) bands (ev): -11.7199 -11.7199 -8.4309 -8.4309 -0.5494 -0.5494 1.9352 1.9352 4.1572 4.1572 5.6446 5.6446 9.3147 9.3147 9.3647 9.3647 9.5241 9.5241 14.2468 14.2468 14.3178 14.3178 17.4147 17.4147 18.8084 18.8084 21.8718 21.8718 24.5411 24.5411 k = 0.0000 0.5387 0.0110 ( 1266 PWs) bands (ev): -11.7192 -11.7192 -8.4304 -8.4304 -0.5495 -0.5495 1.9351 1.9351 4.1554 4.1554 5.6379 5.6379 9.3080 9.3080 9.3713 9.3713 9.5293 9.5293 14.2440 14.2440 14.3170 14.3170 17.4206 17.4206 18.8104 18.8104 21.8744 21.8744 24.5370 24.5370 k = 0.0000 0.5387 0.0220 ( 1262 PWs) bands (ev): -11.7171 -11.7171 -8.4291 -8.4291 -0.5497 -0.5497 1.9349 1.9349 4.1500 4.1500 5.6181 5.6181 9.2917 9.2917 9.3879 9.3879 9.5440 9.5440 14.2354 14.2354 14.3151 14.3151 17.4383 17.4383 18.8161 18.8161 21.8820 21.8820 24.5250 24.5250 k = 0.0000 0.5387 0.0329 ( 1258 PWs) bands (ev): -11.7135 -11.7135 -8.4270 -8.4270 -0.5501 -0.5501 1.9346 1.9346 4.1410 4.1410 5.5856 5.5856 9.2705 9.2705 9.4117 9.4117 9.5659 9.5659 14.2209 14.2209 14.3121 14.3121 17.4675 17.4675 18.8255 18.8255 21.8946 21.8946 24.5051 24.5051 k = 0.0000 0.5387 0.0439 ( 1258 PWs) bands (ev): -11.7085 -11.7085 -8.4240 -8.4240 -0.5507 -0.5507 1.9340 1.9340 4.1284 4.1284 5.5413 5.5413 9.2461 9.2461 9.4421 9.4421 9.5932 9.5932 14.2003 14.2003 14.3085 14.3085 17.5083 17.5083 18.8385 18.8385 21.9123 21.9123 24.4779 24.4779 k = 0.0000 0.5387 0.0549 ( 1260 PWs) bands (ev): -11.7021 -11.7021 -8.4202 -8.4202 -0.5515 -0.5515 1.9332 1.9332 4.1124 4.1124 5.4862 5.4862 9.2195 9.2195 9.4785 9.4785 9.6246 9.6246 14.1738 14.1738 14.3044 14.3044 17.5603 17.5603 18.8549 18.8549 21.9352 21.9352 24.4440 24.4440 k = 0.0000 0.5387 0.0659 ( 1260 PWs) bands (ev): -11.6943 -11.6943 -8.4155 -8.4155 -0.5525 -0.5525 1.9320 1.9320 4.0930 4.0930 5.4214 5.4214 9.1915 9.1915 9.5200 9.5200 9.6593 9.6593 14.1415 14.1415 14.2998 14.2998 17.6232 17.6232 18.8745 18.8745 21.9632 21.9632 24.4039 24.4039 k = 0.0000 0.5387 0.0769 ( 1260 PWs) bands (ev): -11.6851 -11.6851 -8.4101 -8.4101 -0.5538 -0.5538 1.9304 1.9304 4.0702 4.0702 5.3483 5.3483 9.1622 9.1622 9.5656 9.5656 9.6971 9.6971 14.1039 14.1039 14.2947 14.2947 17.6966 17.6966 18.8971 18.8971 21.9966 21.9966 24.3583 24.3583 k = 0.0000 0.5387 0.0878 ( 1260 PWs) bands (ev): -11.6745 -11.6745 -8.4038 -8.4038 -0.5553 -0.5553 1.9282 1.9282 4.0441 4.0441 5.2684 5.2684 9.1317 9.1317 9.6141 9.6141 9.7378 9.7378 14.0613 14.0613 14.2892 14.2892 17.7801 17.7801 18.9225 18.9225 22.0353 22.0353 24.3080 24.3080 k = 0.0000 0.5387 0.0988 ( 1262 PWs) bands (ev): -11.6627 -11.6627 -8.3967 -8.3967 -0.5573 -0.5573 1.9253 1.9253 4.0148 4.0148 5.1830 5.1830 9.1002 9.1002 9.6644 9.6644 9.7816 9.7816 14.0141 14.0141 14.2831 14.2831 17.8733 17.8733 18.9503 18.9503 22.0794 22.0794 24.2537 24.2537 k = 0.0000 0.5387 0.1098 ( 1262 PWs) bands (ev): -11.6495 -11.6495 -8.3889 -8.3889 -0.5596 -0.5596 1.9215 1.9215 3.9823 3.9823 5.0936 5.0936 9.0677 9.0677 9.7153 9.7153 9.8286 9.8286 13.9628 13.9628 14.2764 14.2764 17.9755 17.9755 18.9802 18.9802 22.1291 22.1291 24.1959 24.1959 k = 0.0000 0.5387 0.1208 ( 1268 PWs) bands (ev): -11.6350 -11.6350 -8.3803 -8.3803 -0.5625 -0.5625 1.9167 1.9167 3.9464 3.9464 5.0017 5.0017 9.0341 9.0341 9.7659 9.7659 9.8788 9.8788 13.9077 13.9077 14.2692 14.2692 18.0862 18.0862 19.0121 19.0121 22.1844 22.1844 24.1355 24.1355 k = 0.0000 0.5387 0.1317 ( 1266 PWs) bands (ev): -11.6193 -11.6193 -8.3710 -8.3710 -0.5658 -0.5658 1.9107 1.9107 3.9073 3.9073 4.9088 4.9088 8.9994 8.9994 9.8159 9.8159 9.9320 9.9320 13.8494 13.8494 14.2613 14.2613 18.2047 18.2047 19.0458 19.0458 22.2457 22.2457 24.0728 24.0728 k = 0.0000 0.5387 0.1427 ( 1262 PWs) bands (ev): -11.6024 -11.6024 -8.3611 -8.3611 -0.5698 -0.5698 1.9033 1.9033 3.8646 3.8646 4.8163 4.8163 8.9635 8.9635 9.8652 9.8652 9.9874 9.9874 13.7882 13.7882 14.2530 14.2530 18.3303 18.3303 19.0809 19.0809 22.3128 22.3128 24.0086 24.0086 k = 0.0000 0.5387 0.1537 ( 1262 PWs) bands (ev): -11.5843 -11.5843 -8.3504 -8.3504 -0.5744 -0.5744 1.8943 1.8943 3.8182 3.8182 4.7257 4.7257 8.9265 8.9265 9.9138 9.9138 10.0445 10.0445 13.7244 13.7244 14.2440 14.2440 18.4620 18.4620 19.1175 19.1175 22.3861 22.3861 23.9432 23.9432 k = 0.0000 0.5387 0.1647 ( 1262 PWs) bands (ev): -11.5651 -11.5651 -8.3391 -8.3391 -0.5798 -0.5798 1.8834 1.8834 3.7678 3.7678 4.6385 4.6385 8.8882 8.8882 9.9620 9.9620 10.1025 10.1025 13.6585 13.6585 14.2345 14.2345 18.5989 18.5989 19.1554 19.1554 22.4657 22.4657 23.8769 23.8769 k = 0.0000 0.5387 0.1757 ( 1264 PWs) bands (ev): -11.5448 -11.5448 -8.3273 -8.3273 -0.5861 -0.5861 1.8706 1.8706 3.7133 3.7133 4.5560 4.5560 8.8488 8.8488 10.0100 10.0100 10.1608 10.1608 13.5907 13.5907 14.2245 14.2245 18.7395 18.7395 19.1951 19.1951 22.5518 22.5518 23.8100 23.8100 k = 0.0000 0.5387 0.1866 ( 1266 PWs) bands (ev): -11.5235 -11.5235 -8.3148 -8.3148 -0.5933 -0.5933 1.8557 1.8557 3.6543 3.6543 4.4795 4.4795 8.8080 8.8080 10.0579 10.0579 10.2191 10.2191 13.5214 13.5214 14.2139 14.2139 18.8821 18.8821 19.2373 19.2373 22.6445 22.6445 23.7427 23.7427 k = 0.0000 0.5387 0.1976 ( 1266 PWs) bands (ev): -11.5012 -11.5012 -8.3018 -8.3018 -0.6017 -0.6017 1.8384 1.8384 3.5909 3.5909 4.4100 4.4100 8.7660 8.7660 10.1057 10.1057 10.2769 10.2769 13.4509 13.4509 14.2029 14.2029 19.0228 19.0228 19.2847 19.2847 22.7439 22.7439 23.6748 23.6748 k = 0.0000 0.5387 0.2086 ( 1262 PWs) bands (ev): -11.4781 -11.4781 -8.2884 -8.2884 -0.6111 -0.6111 1.8187 1.8187 3.5234 3.5234 4.3481 4.3481 8.7228 8.7228 10.1535 10.1535 10.3340 10.3340 13.3796 13.3796 14.1913 14.1913 19.1526 19.1526 19.3454 19.3454 22.8502 22.8502 23.6061 23.6061 k = 0.0000 0.5387 0.2196 ( 1262 PWs) bands (ev): -11.4540 -11.4540 -8.2745 -8.2745 -0.6219 -0.6219 1.7965 1.7965 3.4521 3.4521 4.2943 4.2943 8.6783 8.6783 10.2012 10.2012 10.3903 10.3903 13.3077 13.3077 14.1794 14.1794 19.2534 19.2534 19.4362 19.4362 22.9632 22.9632 23.5362 23.5362 k = 0.0000 0.5387 0.2306 ( 1266 PWs) bands (ev): -11.4293 -11.4293 -8.2602 -8.2602 -0.6340 -0.6340 1.7718 1.7718 3.3777 3.3777 4.2485 4.2485 8.6326 8.6326 10.2486 10.2486 10.4457 10.4457 13.2354 13.2354 14.1670 14.1670 19.3200 19.3200 19.5613 19.5613 23.0826 23.0826 23.4644 23.4644 k = 0.0000 0.5387 0.2415 ( 1262 PWs) bands (ev): -11.4038 -11.4038 -8.2455 -8.2455 -0.6475 -0.6475 1.7446 1.7446 3.3011 3.3011 4.2105 4.2105 8.5857 8.5857 10.2958 10.2958 10.5001 10.5001 13.1631 13.1631 14.1542 14.1542 19.3689 19.3689 19.7031 19.7031 23.2067 23.2067 23.3908 23.3908 k = 0.0000 0.5387 0.2525 ( 1258 PWs) bands (ev): -11.3776 -11.3776 -8.2306 -8.2306 -0.6627 -0.6627 1.7152 1.7152 3.2232 3.2232 4.1798 4.1798 8.5376 8.5376 10.3424 10.3424 10.5536 10.5536 13.0910 13.0910 14.1411 14.1411 19.4108 19.4108 19.8502 19.8502 23.2890 23.2890 23.3588 23.3588 k = 0.0000 0.5387 0.2635 ( 1258 PWs) bands (ev): -11.3510 -11.3510 -8.2153 -8.2153 -0.6794 -0.6794 1.6835 1.6835 3.1448 3.1448 4.1561 4.1561 8.4885 8.4885 10.3885 10.3885 10.6063 10.6063 13.0192 13.0192 14.1277 14.1277 19.4491 19.4491 19.9977 19.9977 23.2134 23.2134 23.4787 23.4787 k = 0.0000 0.5387 0.2745 ( 1256 PWs) bands (ev): -11.3238 -11.3238 -8.1999 -8.1999 -0.6979 -0.6979 1.6499 1.6499 3.0667 3.0667 4.1387 4.1387 8.4384 8.4384 10.4339 10.4339 10.6580 10.6580 12.9481 12.9481 14.1140 14.1140 19.4854 19.4854 20.1437 20.1437 23.1191 23.1191 23.5699 23.5699 k = 0.0000 0.5387 0.2855 ( 1254 PWs) bands (ev): -11.2963 -11.2963 -8.1843 -8.1843 -0.7182 -0.7182 1.6148 1.6148 2.9896 2.9896 4.1271 4.1271 8.3873 8.3873 10.4783 10.4783 10.7090 10.7090 12.8778 12.8778 14.1001 14.1001 19.5201 19.5201 20.2866 20.2866 23.0161 23.0161 23.5281 23.5281 k = 0.0000 0.5387 0.2964 ( 1250 PWs) bands (ev): -11.2685 -11.2685 -8.1687 -8.1687 -0.7403 -0.7403 1.5783 1.5783 2.9141 2.9141 4.1209 4.1209 8.3355 8.3355 10.5216 10.5216 10.7593 10.7593 12.8085 12.8085 14.0860 14.0860 19.5536 19.5536 20.4256 20.4256 22.9066 22.9066 23.4624 23.4624 k = 0.0000 0.5387 0.3074 ( 1252 PWs) bands (ev): -11.2405 -11.2405 -8.1530 -8.1530 -0.7641 -0.7641 1.5410 1.5410 2.8405 2.8405 4.1195 4.1195 8.2829 8.2829 10.5638 10.5638 10.8088 10.8088 12.7404 12.7404 14.0717 14.0717 19.5858 19.5858 20.5599 20.5599 22.7927 22.7927 23.4023 23.4023 k = 0.0000 0.5387 0.3184 ( 1250 PWs) bands (ev): -11.2124 -11.2124 -8.1373 -8.1373 -0.7897 -0.7897 1.5031 1.5031 2.7692 2.7692 4.1226 4.1226 8.2298 8.2298 10.6045 10.6045 10.8578 10.8578 12.6737 12.6737 14.0573 14.0573 19.6170 19.6170 20.6892 20.6892 22.6764 22.6764 23.3492 23.3492 k = 0.0000 0.5387 0.3294 ( 1252 PWs) bands (ev): -11.1844 -11.1844 -8.1216 -8.1216 -0.8170 -0.8170 1.4652 1.4652 2.7005 2.7005 4.1296 4.1296 8.1762 8.1762 10.6438 10.6438 10.9061 10.9061 12.6085 12.6085 14.0428 14.0428 19.6471 19.6471 20.8130 20.8130 22.5597 22.5597 23.3022 23.3022 k = 0.0000 0.5387 0.3403 ( 1252 PWs) bands (ev): -11.1564 -11.1564 -8.1062 -8.1062 -0.8459 -0.8459 1.4276 1.4276 2.6345 2.6345 4.1402 4.1402 8.1223 8.1223 10.6816 10.6816 10.9537 10.9537 12.5451 12.5451 14.0283 14.0283 19.6760 19.6760 20.9310 20.9310 22.4437 22.4437 23.2606 23.2606 k = 0.0000 0.5387 0.3513 ( 1250 PWs) bands (ev): -11.1287 -11.1287 -8.0909 -8.0909 -0.8763 -0.8763 1.3907 1.3907 2.5714 2.5714 4.1540 4.1540 8.0684 8.0684 10.7177 10.7177 11.0007 11.0007 12.4834 12.4834 14.0139 14.0139 19.7039 19.7039 21.0431 21.0431 22.3297 22.3297 23.2235 23.2235 k = 0.0000 0.5387 0.3623 ( 1250 PWs) bands (ev): -11.1014 -11.1014 -8.0758 -8.0758 -0.9079 -0.9079 1.3548 1.3548 2.5112 2.5112 4.1706 4.1706 8.0145 8.0145 10.7522 10.7522 11.0470 11.0470 12.4238 12.4238 13.9995 13.9995 19.7307 19.7307 21.1492 21.1492 22.2185 22.2185 23.1903 23.1903 k = 0.0000 0.5387 0.3733 ( 1250 PWs) bands (ev): -11.0745 -11.0745 -8.0611 -8.0611 -0.9406 -0.9406 1.3201 1.3201 2.4541 2.4541 4.1896 4.1896 7.9609 7.9609 10.7849 10.7849 11.0924 11.0924 12.3663 12.3663 13.9853 13.9853 19.7563 19.7563 21.2492 21.2492 22.1107 22.1107 23.1605 23.1605 k = 0.0000 0.5387 0.3843 ( 1252 PWs) bands (ev): -11.0481 -11.0481 -8.0468 -8.0468 -0.9741 -0.9741 1.2869 1.2869 2.4000 2.4000 4.2106 4.2106 7.9077 7.9077 10.8159 10.8159 11.1368 11.1368 12.3110 12.3110 13.9712 13.9712 19.7807 19.7807 21.3431 21.3431 22.0069 22.0069 23.1338 23.1338 k = 0.0000 0.5387 0.3952 ( 1252 PWs) bands (ev): -11.0225 -11.0225 -8.0329 -8.0329 -1.0080 -1.0080 1.2555 1.2555 2.3489 2.3489 4.2333 4.2333 7.8553 7.8553 10.8451 10.8451 11.1801 11.1801 12.2580 12.2580 13.9573 13.9573 19.8040 19.8040 21.4306 21.4306 21.9077 21.9077 23.1098 23.1098 k = 0.0000 0.5387 0.4062 ( 1250 PWs) bands (ev): -10.9976 -10.9976 -8.0194 -8.0194 -1.0422 -1.0422 1.2258 1.2258 2.3010 2.3010 4.2573 4.2573 7.8038 7.8038 10.8727 10.8727 11.2222 11.2222 12.2076 12.2076 13.9438 13.9438 19.8262 19.8262 21.5112 21.5112 21.8143 21.8143 23.0883 23.0883 k = 0.0000 0.5387 0.4172 ( 1250 PWs) bands (ev): -10.9737 -10.9737 -8.0066 -8.0066 -1.0763 -1.0763 1.1981 1.1981 2.2561 2.2561 4.2822 4.2822 7.7536 7.7536 10.8985 10.8985 11.2628 11.2628 12.1597 12.1597 13.9306 13.9306 19.8470 19.8470 21.5814 21.5814 21.7304 21.7304 23.0691 23.0691 k = 0.0000 0.5387 0.4282 ( 1248 PWs) bands (ev): -10.9508 -10.9508 -7.9943 -7.9943 -1.1099 -1.1099 1.1724 1.1724 2.2144 2.2144 4.3077 4.3077 7.7048 7.7048 10.9226 10.9226 11.3019 11.3019 12.1145 12.1145 13.9178 13.9178 19.8666 19.8666 21.6042 21.6042 21.6935 21.6935 23.0520 23.0520 k = 0.0000 0.5387 0.4392 ( 1250 PWs) bands (ev): -10.9291 -10.9291 -7.9827 -7.9827 -1.1427 -1.1427 1.1487 1.1487 2.1758 2.1758 4.3334 4.3334 7.6578 7.6578 10.9449 10.9449 11.3391 11.3391 12.0721 12.0721 13.9056 13.9056 19.8849 19.8849 21.5430 21.5430 21.7404 21.7404 23.0368 23.0368 k = 0.0000 0.5387 0.4501 ( 1250 PWs) bands (ev): -10.9086 -10.9086 -7.9718 -7.9718 -1.1744 -1.1744 1.1270 1.1270 2.1403 2.1403 4.3589 4.3589 7.6129 7.6129 10.9656 10.9656 11.3744 11.3744 12.0326 12.0326 13.8939 13.8939 19.9019 19.9019 21.4722 21.4722 21.7970 21.7970 23.0234 23.0234 k = 0.0000 0.5387 0.4611 ( 1252 PWs) bands (ev): -10.8896 -10.8896 -7.9617 -7.9617 -1.2046 -1.2046 1.1074 1.1074 2.1079 2.1079 4.3838 4.3838 7.5705 7.5705 10.9846 10.9846 11.4074 11.4074 11.9960 11.9960 13.8828 13.8828 19.9175 19.9175 21.4050 21.4050 21.8503 21.8503 23.0117 23.0117 k = 0.0000 0.5387 0.4721 ( 1256 PWs) bands (ev): -10.8719 -10.8719 -7.9524 -7.9524 -1.2329 -1.2329 1.0897 1.0897 2.0786 2.0786 4.4077 4.4077 7.5307 7.5307 11.0018 11.0018 11.4382 11.4382 11.9624 11.9624 13.8725 13.8725 19.9317 19.9317 21.3430 21.3430 21.8990 21.8990 23.0014 23.0014 k = 0.0000 0.5387 0.4831 ( 1256 PWs) bands (ev): -10.8559 -10.8559 -7.9440 -7.9440 -1.2592 -1.2592 1.0740 1.0740 2.0525 2.0525 4.4304 4.4304 7.4940 7.4940 11.0174 11.0174 11.4663 11.4663 11.9320 11.9320 13.8630 13.8630 19.9446 19.9446 21.2869 21.2869 21.9427 21.9427 22.9925 22.9925 k = 0.0000 0.5387 0.4941 ( 1258 PWs) bands (ev): -10.8415 -10.8415 -7.9364 -7.9364 -1.2831 -1.2831 1.0603 1.0603 2.0294 2.0294 4.4515 4.4515 7.4607 7.4607 11.0312 11.0312 11.4918 11.4918 11.9049 11.9049 13.8544 13.8544 19.9560 19.9560 21.2370 21.2370 21.9813 21.9813 22.9850 22.9850 k = 0.0000 0.5387 0.5050 ( 1256 PWs) bands (ev): -10.8288 -10.8288 -7.9298 -7.9298 -1.3043 -1.3043 1.0485 1.0485 2.0095 2.0095 4.4705 4.4705 7.4310 7.4310 11.0432 11.0432 11.5143 11.5143 11.8810 11.8810 13.8468 13.8468 19.9659 19.9659 21.1934 21.1934 22.0147 22.0147 22.9786 22.9786 k = 0.0000 0.5387 0.5160 ( 1254 PWs) bands (ev): -10.8180 -10.8180 -7.9241 -7.9241 -1.3226 -1.3226 1.0385 1.0385 1.9926 1.9926 4.4872 4.4872 7.4053 7.4053 11.0535 11.0535 11.5338 11.5338 11.8605 11.8605 13.8402 13.8402 19.9744 19.9744 21.1562 21.1562 22.0430 22.0430 22.9733 22.9733 k = 0.0000 0.5387 0.5270 ( 1256 PWs) bands (ev): -10.8091 -10.8091 -7.9194 -7.9194 -1.3379 -1.3379 1.0304 1.0304 1.9789 1.9789 4.5013 4.5013 7.3839 7.3839 11.0620 11.0620 11.5500 11.5500 11.8435 11.8435 13.8347 13.8347 19.9813 19.9813 21.1257 21.1257 22.0660 22.0660 22.9691 22.9691 k = 0.0000 0.5387 0.5380 ( 1254 PWs) bands (ev): -10.8020 -10.8020 -7.9158 -7.9158 -1.3500 -1.3500 1.0241 1.0241 1.9682 1.9682 4.5126 4.5126 7.3670 7.3670 11.0686 11.0686 11.5629 11.5629 11.8302 11.8302 13.8303 13.8303 19.9867 19.9867 21.1019 21.1019 22.0840 22.0840 22.9659 22.9659 k = 0.0000 0.5387 0.5489 ( 1254 PWs) bands (ev): -10.7970 -10.7970 -7.9132 -7.9132 -1.3587 -1.3587 1.0196 1.0196 1.9605 1.9605 4.5208 4.5208 7.3547 7.3547 11.0734 11.0734 11.5722 11.5722 11.8205 11.8205 13.8272 13.8272 19.9906 19.9906 21.0848 21.0848 22.0968 22.0968 22.9637 22.9637 k = 0.0000 0.5387 0.5599 ( 1252 PWs) bands (ev): -10.7940 -10.7940 -7.9116 -7.9116 -1.3640 -1.3640 1.0169 1.0169 1.9560 1.9560 4.5258 4.5258 7.3473 7.3473 11.0762 11.0762 11.5779 11.5779 11.8146 11.8146 13.8253 13.8253 19.9929 19.9929 21.0745 21.0745 22.1045 22.1045 22.9623 22.9623 k = 0.0000 0.5387 0.5709 ( 1248 PWs) bands (ev): -10.7930 -10.7930 -7.9111 -7.9111 -1.3657 -1.3657 1.0160 1.0160 1.9544 1.9544 4.5275 4.5275 7.3448 7.3448 11.0772 11.0772 11.5798 11.5798 11.8127 11.8127 13.8247 13.8247 19.9938 19.9938 21.0711 21.0711 22.1071 22.1071 22.9619 22.9619 k = 0.0000 0.5387 0.5709 ( 1248 PWs) bands (ev): -10.7930 -10.7930 -7.9111 -7.9111 -1.3657 -1.3657 1.0160 1.0160 1.9544 1.9544 4.5275 4.5275 7.3448 7.3448 11.0772 11.0772 11.5798 11.5798 11.8127 11.8127 13.8247 13.8247 19.9938 19.9938 21.0711 21.0711 22.1071 22.1071 22.9619 22.9619 k = 0.0110 0.5387 0.5709 ( 1252 PWs) bands (ev): -10.7927 -10.7927 -7.9108 -7.9108 -1.3650 -1.3650 1.0147 1.0147 1.9535 1.9535 4.5240 4.5240 7.3492 7.3492 11.0741 11.0741 11.5732 11.5732 11.8218 11.8218 13.8246 13.8246 19.9897 19.9897 21.0740 21.0740 22.1093 22.1093 22.9661 22.9661 k = 0.0221 0.5387 0.5709 ( 1252 PWs) bands (ev): -10.7921 -10.7921 -7.9100 -7.9100 -1.3627 -1.3627 1.0109 1.0109 1.9507 1.9507 4.5136 4.5136 7.3620 7.3620 11.0648 11.0648 11.5557 11.5557 11.8469 11.8469 13.8244 13.8244 19.9778 19.9778 21.0827 21.0827 22.1161 22.1161 22.9785 22.9785 k = 0.0331 0.5387 0.5709 ( 1256 PWs) bands (ev): -10.7910 -10.7910 -7.9086 -7.9086 -1.3589 -1.3589 1.0044 1.0044 1.9462 1.9462 4.4965 4.4965 7.3833 7.3833 11.0497 11.0497 11.5311 11.5311 11.8840 11.8840 13.8239 13.8239 19.9585 19.9585 21.0971 21.0971 22.1274 22.1274 22.9989 22.9989 k = 0.0442 0.5387 0.5709 ( 1254 PWs) bands (ev): -10.7895 -10.7895 -7.9067 -7.9067 -1.3537 -1.3537 0.9951 0.9951 1.9405 1.9405 4.4728 4.4728 7.4128 7.4128 11.0289 11.0289 11.5020 11.5020 11.9298 11.9298 13.8233 13.8233 19.9324 19.9324 21.1167 21.1167 22.1433 22.1433 23.0269 23.0269 k = 0.0552 0.5387 0.5709 ( 1256 PWs) bands (ev): -10.7875 -10.7875 -7.9042 -7.9042 -1.3470 -1.3470 0.9828 0.9828 1.9340 1.9340 4.4429 4.4429 7.4501 7.4501 11.0027 11.0027 11.4700 11.4700 11.9825 11.9825 13.8224 13.8224 19.9002 19.9002 21.1414 21.1414 22.1637 22.1637 23.0619 23.0619 k = 0.0662 0.5387 0.5709 ( 1260 PWs) bands (ev): -10.7852 -10.7852 -7.9013 -7.9013 -1.3389 -1.3389 0.9673 0.9673 1.9271 1.9271 4.4070 4.4070 7.4948 7.4948 10.9716 10.9716 11.4356 11.4356 12.0410 12.0410 13.8212 13.8212 19.8626 19.8626 21.1707 21.1707 22.1889 22.1889 23.1033 23.1033 k = 0.0773 0.5387 0.5709 ( 1258 PWs) bands (ev): -10.7825 -10.7825 -7.8978 -7.8978 -1.3294 -1.3294 0.9486 0.9486 1.9204 1.9204 4.3657 4.3657 7.5464 7.5464 10.9359 10.9359 11.3990 11.3990 12.1047 12.1047 13.8197 13.8197 19.8207 19.8207 21.2043 21.2043 22.2188 22.2188 23.1503 23.1503 k = 0.0883 0.5387 0.5709 ( 1254 PWs) bands (ev): -10.7794 -10.7794 -7.8939 -7.8939 -1.3186 -1.3186 0.9263 0.9263 1.9146 1.9146 4.3194 4.3194 7.6045 7.6045 10.8959 10.8959 11.3601 11.3601 12.1729 12.1729 13.8177 13.8177 19.7751 19.7751 21.2420 21.2420 22.2535 22.2535 23.2021 23.2021 k = 0.0994 0.5387 0.5709 ( 1250 PWs) bands (ev): -10.7759 -10.7759 -7.8895 -7.8895 -1.3066 -1.3066 0.9004 0.9004 1.9100 1.9100 4.2686 4.2686 7.6683 7.6683 10.8519 10.8519 11.3192 11.3192 12.2451 12.2451 13.8152 13.8152 19.7266 19.7266 21.2836 21.2836 22.2931 22.2931 23.2580 23.2580 k = 0.1104 0.5387 0.5709 ( 1250 PWs) bands (ev): -10.7721 -10.7721 -7.8847 -7.8847 -1.2933 -1.2933 0.8710 0.8710 1.9074 1.9074 4.2138 4.2138 7.7374 7.7374 10.8041 10.8041 11.2760 11.2760 12.3208 12.3208 13.8123 13.8123 19.6758 19.6758 21.3288 21.3288 22.3376 22.3376 23.3172 23.3172 k = 0.1214 0.5387 0.5709 ( 1250 PWs) bands (ev): -10.7680 -10.7680 -7.8795 -7.8795 -1.2790 -1.2790 0.8381 0.8381 1.9069 1.9069 4.1556 4.1556 7.8111 7.8111 10.7529 10.7529 11.2307 11.2307 12.3995 12.3995 13.8089 13.8089 19.6234 19.6234 21.3774 21.3774 22.3872 22.3872 23.3788 23.3788 k = 0.1325 0.5387 0.5709 ( 1250 PWs) bands (ev): -10.7636 -10.7636 -7.8739 -7.8739 -1.2636 -1.2636 0.8020 0.8020 1.9088 1.9088 4.0944 4.0944 7.8886 7.8886 10.6984 10.6984 11.1833 11.1833 12.4806 12.4806 13.8052 13.8052 19.5699 19.5699 21.4292 21.4292 22.4419 22.4419 23.4421 23.4421 k = 0.1435 0.5387 0.5709 ( 1248 PWs) bands (ev): -10.7589 -10.7589 -7.8679 -7.8679 -1.2474 -1.2474 0.7629 0.7629 1.9134 1.9134 4.0308 4.0308 7.9695 7.9695 10.6409 10.6409 11.1339 11.1339 12.5636 12.5636 13.8010 13.8010 19.5158 19.5158 21.4842 21.4842 22.5018 22.5018 23.5064 23.5064 k = 0.1546 0.5387 0.5709 ( 1250 PWs) bands (ev): -10.7540 -10.7540 -7.8617 -7.8617 -1.2304 -1.2304 0.7214 0.7214 1.9207 1.9207 3.9654 3.9654 8.0530 8.0530 10.5806 10.5806 11.0826 11.0826 12.6480 12.6480 13.7967 13.7967 19.4615 19.4615 21.5421 21.5421 22.5668 22.5668 23.5710 23.5710 k = 0.1656 0.5387 0.5709 ( 1256 PWs) bands (ev): -10.7489 -10.7489 -7.8552 -7.8552 -1.2129 -1.2129 0.6778 0.6778 1.9307 1.9307 3.8986 3.8986 8.1383 8.1383 10.5178 10.5178 11.0293 11.0293 12.7330 12.7330 13.7922 13.7922 19.4073 19.4073 21.6028 21.6028 22.6369 22.6369 23.6353 23.6353 k = 0.1767 0.5387 0.5709 ( 1254 PWs) bands (ev): -10.7436 -10.7436 -7.8485 -7.8485 -1.1950 -1.1950 0.6329 0.6329 1.9433 1.9433 3.8310 3.8310 8.2249 8.2249 10.4528 10.4528 10.9744 10.9744 12.8182 12.8182 13.7879 13.7879 19.3535 19.3535 21.6662 21.6662 22.7120 22.7120 23.6986 23.6986 k = 0.1877 0.5387 0.5709 ( 1254 PWs) bands (ev): -10.7382 -10.7382 -7.8416 -7.8416 -1.1769 -1.1769 0.5871 0.5871 1.9584 1.9584 3.7632 3.7632 8.3120 8.3120 10.3858 10.3858 10.9178 10.9178 12.9030 12.9030 13.7840 13.7840 19.3005 19.3005 21.7320 21.7320 22.7920 22.7920 23.7603 23.7603 k = 0.1987 0.5387 0.5709 ( 1256 PWs) bands (ev): -10.7327 -10.7327 -7.8345 -7.8345 -1.1589 -1.1589 0.5412 0.5412 1.9757 1.9757 3.6956 3.6956 8.3990 8.3990 10.3172 10.3172 10.8597 10.8597 12.9868 12.9868 13.7806 13.7806 19.2484 19.2484 21.8001 21.8001 22.8762 22.8762 23.8198 23.8198 k = 0.2098 0.5387 0.5709 ( 1258 PWs) bands (ev): -10.7272 -10.7272 -7.8274 -7.8274 -1.1412 -1.1412 0.4958 0.4958 1.9951 1.9951 3.6287 3.6287 8.4850 8.4850 10.2471 10.2471 10.8003 10.8003 13.0691 13.0691 13.7782 13.7782 19.1973 19.1973 21.8704 21.8704 22.9641 22.9641 23.8766 23.8766 k = 0.2208 0.5387 0.5709 ( 1256 PWs) bands (ev): -10.7216 -10.7216 -7.8203 -7.8203 -1.1242 -1.1242 0.4517 0.4517 2.0163 2.0163 3.5630 3.5630 8.5694 8.5694 10.1759 10.1759 10.7396 10.7396 13.1495 13.1495 13.7770 13.7770 19.1475 19.1475 21.9426 21.9426 23.0546 23.0546 23.9301 23.9301 k = 0.2319 0.5387 0.5709 ( 1262 PWs) bands (ev): -10.7160 -10.7160 -7.8132 -7.8132 -1.1081 -1.1081 0.4094 0.4094 2.0391 2.0391 3.4991 3.4991 8.6514 8.6514 10.1039 10.1039 10.6777 10.6777 13.2273 13.2273 13.7774 13.7774 19.0990 19.0990 22.0166 22.0166 23.1458 23.1458 23.9791 23.9791 k = 0.2429 0.5387 0.5709 ( 1264 PWs) bands (ev): -10.7105 -10.7105 -7.8061 -7.8061 -1.0935 -1.0935 0.3698 0.3698 2.0630 2.0630 3.4375 3.4375 8.7302 8.7302 10.0314 10.0314 10.6149 10.6149 13.3023 13.3023 13.7798 13.7798 19.0520 19.0520 22.0922 22.0922 23.2354 23.2354 24.0218 24.0218 k = 0.2539 0.5387 0.5709 ( 1264 PWs) bands (ev): -10.7051 -10.7051 -7.7992 -7.7992 -1.0805 -1.0805 0.3335 0.3335 2.0879 2.0879 3.3786 3.3786 8.8050 8.8050 9.9589 9.9589 10.5512 10.5512 13.3739 13.3739 13.7845 13.7845 19.0066 19.0066 22.1692 22.1692 23.3199 23.3199 24.0583 24.0583 k = 0.2650 0.5387 0.5709 ( 1266 PWs) bands (ev): -10.6998 -10.6998 -7.7925 -7.7925 -1.0697 -1.0697 0.3011 0.3011 2.1132 2.1132 3.3232 3.3232 8.8749 8.8749 9.8867 9.8867 10.4869 10.4869 13.4418 13.4418 13.7918 13.7918 18.9628 18.9628 22.2475 22.2475 23.3954 23.3954 24.0945 24.0945 k = 0.2760 0.5387 0.5709 ( 1264 PWs) bands (ev): -10.6947 -10.6947 -7.7861 -7.7861 -1.0615 -1.0615 0.2734 0.2734 2.1386 2.1386 3.2717 3.2717 8.9390 8.9390 9.8155 9.8155 10.4220 10.4220 13.5058 13.5058 13.8023 13.8023 18.9208 18.9208 22.3267 22.3267 23.4583 23.4583 24.1289 24.1289 k = 0.2871 0.5387 0.5709 ( 1268 PWs) bands (ev): -10.6898 -10.6898 -7.7799 -7.7799 -1.0560 -1.0560 0.2509 0.2509 2.1635 2.1635 3.2248 3.2248 8.9961 8.9961 9.7459 9.7459 10.3567 10.3567 13.5655 13.5655 13.8160 13.8160 18.8805 18.8805 22.4069 22.4069 23.5071 23.5071 24.1572 24.1572 k = 0.2981 0.5387 0.5709 ( 1266 PWs) bands (ev): -10.6852 -10.6852 -7.7741 -7.7741 -1.0536 -1.0536 0.2340 0.2340 2.1876 2.1876 3.1832 3.1832 9.0448 9.0448 9.6791 9.6791 10.2912 10.2912 13.6207 13.6207 13.8335 13.8335 18.8422 18.8422 22.4877 22.4877 23.5428 23.5428 24.1788 24.1788 k = 0.3091 0.5387 0.5709 ( 1264 PWs) bands (ev): -10.6809 -10.6809 -7.7688 -7.7688 -1.0544 -1.0544 0.2230 0.2230 2.2101 2.2101 3.1475 3.1475 9.0834 9.0834 9.6166 9.6166 10.2256 10.2256 13.6713 13.6713 13.8547 13.8547 18.8059 18.8059 22.5690 22.5690 23.5680 23.5680 24.1938 24.1938 k = 0.3202 0.5387 0.5709 ( 1264 PWs) bands (ev): -10.6770 -10.6770 -7.7640 -7.7640 -1.0584 -1.0584 0.2181 0.2181 2.2306 2.2306 3.1185 3.1185 9.1094 9.1094 9.5605 9.5605 10.1601 10.1601 13.7170 13.7170 13.8799 13.8799 18.7718 18.7718 22.6505 22.6505 23.5856 23.5856 24.2022 24.2022 k = 0.3312 0.5387 0.5709 ( 1266 PWs) bands (ev): -10.6734 -10.6734 -7.7597 -7.7597 -1.0655 -1.0655 0.2193 0.2193 2.2485 2.2485 3.0966 3.0966 9.1198 9.1198 9.5137 9.5137 10.0948 10.0948 13.7579 13.7579 13.9091 13.9091 18.7398 18.7398 22.7322 22.7322 23.5980 23.5980 24.2040 24.2040 k = 0.3423 0.5387 0.5709 ( 1268 PWs) bands (ev): -10.6702 -10.6702 -7.7560 -7.7560 -1.0754 -1.0754 0.2265 0.2265 2.2634 2.2634 3.0825 3.0825 9.1124 9.1124 9.4783 9.4783 10.0300 10.0300 13.7939 13.7939 13.9422 13.9422 18.7103 18.7103 22.8138 22.8138 23.6071 23.6071 24.1991 24.1991 k = 0.3533 0.5387 0.5709 ( 1270 PWs) bands (ev): -10.6675 -10.6675 -7.7530 -7.7530 -1.0876 -1.0876 0.2393 0.2393 2.2752 2.2752 3.0764 3.0764 9.0873 9.0873 9.4545 9.4545 9.9658 9.9658 13.8249 13.8249 13.9792 13.9792 18.6835 18.6835 22.8952 22.8952 23.6140 23.6140 24.1874 24.1874 k = 0.3643 0.5387 0.5709 ( 1272 PWs) bands (ev): -10.6653 -10.6653 -7.7507 -7.7507 -1.1019 -1.1019 0.2574 0.2574 2.2840 2.2840 3.0782 3.0782 9.0476 9.0476 9.4388 9.4388 9.9023 9.9023 13.8509 13.8509 14.0196 14.0196 18.6595 18.6595 22.9761 22.9761 23.6198 23.6198 24.1688 24.1688 k = 0.3643 0.5387 0.5709 ( 1272 PWs) bands (ev): -10.6653 -10.6653 -7.7507 -7.7507 -1.1019 -1.1019 0.2574 0.2574 2.2840 2.2840 3.0782 3.0782 9.0476 9.0476 9.4388 9.4388 9.9023 9.9023 13.8509 13.8509 14.0196 14.0196 18.6595 18.6595 22.9761 22.9761 23.6198 23.6198 24.1688 24.1688 k = 0.3582 0.5296 0.5709 ( 1268 PWs) bands (ev): -10.6690 -10.6690 -7.7544 -7.7544 -1.0745 -1.0745 0.2213 0.2213 2.2699 2.2699 3.0714 3.0714 9.1132 9.1132 9.4766 9.4766 10.0142 10.0142 13.8087 13.8087 13.9448 13.9448 18.6983 18.6983 22.8326 22.8326 23.6088 23.6088 24.2084 24.2084 k = 0.3520 0.5205 0.5709 ( 1268 PWs) bands (ev): -10.6730 -10.6730 -7.7586 -7.7586 -1.0462 -1.0462 0.1867 0.1867 2.2539 2.2539 3.0710 3.0710 9.1456 9.1456 9.5459 9.5459 10.1245 10.1245 13.7659 13.7659 13.8706 13.8706 18.7345 18.7345 22.6898 22.6898 23.5944 23.5944 24.2486 24.2486 k = 0.3458 0.5113 0.5709 ( 1264 PWs) bands (ev): -10.6773 -10.6773 -7.7635 -7.7635 -1.0170 -1.0170 0.1537 0.1537 2.2366 2.2366 3.0768 3.0768 9.1518 9.1518 9.6397 9.6397 10.2326 10.2326 13.7228 13.7228 13.7970 13.7970 18.7678 18.7678 22.5485 22.5485 23.5759 23.5759 24.2893 24.2893 k = 0.3396 0.5022 0.5709 ( 1260 PWs) bands (ev): -10.6821 -10.6821 -7.7690 -7.7690 -0.9868 -0.9868 0.1227 0.1227 2.2183 2.2183 3.0883 3.0883 9.1425 9.1425 9.7467 9.7467 10.3380 10.3380 13.6792 13.6792 13.7244 13.7244 18.7982 18.7982 22.4093 22.4093 23.5524 23.5524 24.3302 24.3302 k = 0.3335 0.4931 0.5709 ( 1260 PWs) bands (ev): -10.6872 -10.6872 -7.7751 -7.7751 -0.9557 -0.9557 0.0939 0.0939 2.1998 2.1998 3.1050 3.1050 9.1248 9.1248 9.8595 9.8595 10.4400 10.4400 13.6344 13.6344 13.6540 13.6540 18.8255 18.8255 22.2729 22.2729 23.5233 23.5233 24.3711 24.3711 k = 0.3273 0.4839 0.5709 ( 1258 PWs) bands (ev): -10.6927 -10.6927 -7.7820 -7.7820 -0.9238 -0.9238 0.0673 0.0673 2.1816 2.1816 3.1264 3.1264 9.1021 9.1021 9.9740 9.9740 10.5384 10.5384 13.5773 13.5773 13.5969 13.5969 18.8495 18.8495 22.1399 22.1399 23.4881 23.4881 24.4115 24.4115 k = 0.3211 0.4748 0.5709 ( 1262 PWs) bands (ev): -10.6986 -10.6986 -7.7895 -7.7895 -0.8911 -0.8911 0.0433 0.0433 2.1642 2.1642 3.1519 3.1519 9.0764 9.0764 10.0878 10.0878 10.6327 10.6327 13.5088 13.5088 13.5525 13.5525 18.8701 18.8701 22.0110 22.0110 23.4463 23.4463 24.4505 24.4505 k = 0.3149 0.4657 0.5709 ( 1264 PWs) bands (ev): -10.7049 -10.7049 -7.7978 -7.7978 -0.8576 -0.8576 0.0218 0.0218 2.1481 2.1481 3.1811 3.1811 9.0487 9.0487 10.1994 10.1994 10.7225 10.7225 13.4403 13.4403 13.5098 13.5098 18.8873 18.8873 21.8869 21.8869 23.3979 23.3979 24.4801 24.4801 k = 0.3088 0.4566 0.5709 ( 1264 PWs) bands (ev): -10.7117 -10.7117 -7.8068 -7.8068 -0.8234 -0.8234 0.0031 0.0031 2.1338 2.1338 3.2136 3.2136 9.0194 9.0194 10.3075 10.3075 10.8076 10.8076 13.3727 13.3727 13.4678 13.4678 18.9009 18.9009 21.7683 21.7683 23.3429 23.3429 24.4272 24.4272 k = 0.3026 0.4474 0.5709 ( 1264 PWs) bands (ev): -10.7188 -10.7188 -7.8166 -7.8166 -0.7885 -0.7885 -0.0128 -0.0128 2.1216 2.1216 3.2490 3.2490 8.9892 8.9892 10.4111 10.4111 10.8877 10.8877 13.3064 13.3064 13.4266 13.4266 18.9109 18.9109 21.6557 21.6557 23.2818 23.2818 24.3322 24.3322 k = 0.2964 0.4383 0.5709 ( 1264 PWs) bands (ev): -10.7264 -10.7264 -7.8272 -7.8272 -0.7529 -0.7529 -0.0257 -0.0257 2.1119 2.1119 3.2869 3.2869 8.9581 8.9581 10.5092 10.5092 10.9626 10.9626 13.2415 13.2415 13.3862 13.3862 18.9173 18.9173 21.5498 21.5498 23.2153 23.2153 24.2319 24.2319 k = 0.2902 0.4292 0.5709 ( 1260 PWs) bands (ev): -10.7344 -10.7344 -7.8384 -7.8384 -0.7167 -0.7167 -0.0355 -0.0355 2.1048 2.1048 3.3271 3.3271 8.9263 8.9263 10.6010 10.6010 11.0321 11.0321 13.1780 13.1780 13.3467 13.3467 18.9200 18.9200 21.4514 21.4514 23.1441 23.1441 24.1286 24.1286 k = 0.2841 0.4200 0.5709 ( 1256 PWs) bands (ev): -10.7428 -10.7428 -7.8505 -7.8505 -0.6800 -0.6800 -0.0423 -0.0423 2.1006 2.1006 3.3694 3.3694 8.8942 8.8942 10.6857 10.6857 11.0961 11.0961 13.1161 13.1161 13.3083 13.3083 18.9190 18.9190 21.3611 21.3611 23.0690 23.0690 24.0225 24.0225 k = 0.2779 0.4109 0.5709 ( 1256 PWs) bands (ev): -10.7517 -10.7517 -7.8633 -7.8633 -0.6428 -0.6428 -0.0459 -0.0459 2.0995 2.0995 3.4135 3.4135 8.8616 8.8616 10.7625 10.7625 11.1543 11.1543 13.0557 13.0557 13.2711 13.2711 18.9142 18.9142 21.2794 21.2794 22.9909 22.9909 23.9136 23.9136 k = 0.2717 0.4018 0.5709 ( 1252 PWs) bands (ev): -10.7609 -10.7609 -7.8768 -7.8768 -0.6051 -0.6051 -0.0464 -0.0464 2.1016 2.1016 3.4592 3.4592 8.8289 8.8289 10.8307 10.8307 11.2067 11.2067 12.9969 12.9969 13.2351 13.2351 18.9057 18.9057 21.2071 21.2071 22.9104 22.9104 23.8020 23.8020 k = 0.2655 0.3926 0.5709 ( 1252 PWs) bands (ev): -10.7705 -10.7705 -7.8910 -7.8910 -0.5670 -0.5670 -0.0436 -0.0436 2.1070 2.1070 3.5063 3.5063 8.7960 8.7960 10.8897 10.8897 11.2532 11.2532 12.9398 12.9398 13.2004 13.2004 18.8933 18.8933 21.1446 21.1446 22.8283 22.8283 23.6876 23.6876 k = 0.2594 0.3835 0.5709 ( 1260 PWs) bands (ev): -10.7805 -10.7805 -7.9060 -7.9060 -0.5286 -0.5286 -0.0377 -0.0377 2.1159 2.1159 3.5546 3.5546 8.7630 8.7630 10.9391 10.9391 11.2934 11.2934 12.8844 12.8844 13.1672 13.1672 18.8772 18.8772 21.0925 21.0925 22.7452 22.7452 23.5705 23.5705 k = 0.2532 0.3744 0.5709 ( 1260 PWs) bands (ev): -10.7908 -10.7908 -7.9215 -7.9215 -0.4899 -0.4899 -0.0286 -0.0286 2.1282 2.1282 3.6041 3.6041 8.7300 8.7300 10.9786 10.9786 11.3272 11.3272 12.8308 12.8308 13.1356 13.1356 18.8575 18.8575 21.0512 21.0512 22.6615 22.6615 23.4508 23.4508 k = 0.2470 0.3652 0.5709 ( 1260 PWs) bands (ev): -10.8015 -10.8015 -7.9377 -7.9377 -0.4509 -0.4509 -0.0164 -0.0164 2.1440 2.1440 3.6545 3.6545 8.6971 8.6971 11.0081 11.0081 11.3542 11.3542 12.7790 12.7790 13.1057 13.1057 18.8342 18.8342 21.0211 21.0211 22.5778 22.5778 23.3285 23.3285 k = 0.2408 0.3561 0.5709 ( 1260 PWs) bands (ev): -10.8126 -10.8126 -7.9545 -7.9545 -0.4117 -0.4117 -0.0010 -0.0010 2.1634 2.1634 3.7058 3.7058 8.6643 8.6643 11.0276 11.0276 11.3740 11.3740 12.7291 12.7291 13.0776 13.0776 18.8073 18.8073 21.0025 21.0025 22.4943 22.4943 23.2036 23.2036 k = 0.2347 0.3470 0.5709 ( 1256 PWs) bands (ev): -10.8239 -10.8239 -7.9718 -7.9718 -0.3724 -0.3724 0.0174 0.0174 2.1863 2.1863 3.7577 3.7577 8.6317 8.6317 11.0373 11.0373 11.3864 11.3864 12.6810 12.6810 13.0513 13.0513 18.7769 18.7769 20.9957 20.9957 22.4114 22.4114 23.0762 23.0762 k = 0.2285 0.3378 0.5709 ( 1252 PWs) bands (ev): -10.8355 -10.8355 -7.9896 -7.9896 -0.3331 -0.3331 0.0389 0.0389 2.2127 2.2127 3.8102 3.8102 8.5994 8.5994 11.0375 11.0375 11.3910 11.3910 12.6348 12.6348 13.0269 13.0269 18.7432 18.7432 21.0006 21.0006 22.3293 22.3293 22.9466 22.9466 k = 0.2223 0.3287 0.5709 ( 1252 PWs) bands (ev): -10.8473 -10.8473 -8.0078 -8.0078 -0.2937 -0.2937 0.0632 0.0632 2.2426 2.2426 3.8631 3.8631 8.5674 8.5674 11.0286 11.0286 11.3874 11.3874 12.5906 12.5906 13.0047 13.0047 18.7062 18.7062 21.0173 21.0173 22.2483 22.2483 22.8147 22.8147 k = 0.2161 0.3196 0.5709 ( 1252 PWs) bands (ev): -10.8594 -10.8594 -8.0265 -8.0265 -0.2544 -0.2544 0.0904 0.0904 2.2761 2.2761 3.9164 3.9164 8.5357 8.5357 11.0108 11.0108 11.3756 11.3756 12.5482 12.5482 12.9846 12.9846 18.6660 18.6660 21.0457 21.0457 22.1684 22.1684 22.6809 22.6809 k = 0.2100 0.3105 0.5709 ( 1252 PWs) bands (ev): -10.8716 -10.8716 -8.0455 -8.0455 -0.2151 -0.2151 0.1204 0.1204 2.3129 2.3129 3.9700 3.9700 8.5045 8.5045 10.9846 10.9846 11.3555 11.3555 12.5078 12.5078 12.9667 12.9667 18.6229 18.6229 21.0856 21.0856 22.0898 22.0898 22.5452 22.5452 k = 0.2038 0.3013 0.5709 ( 1250 PWs) bands (ev): -10.8841 -10.8841 -8.0647 -8.0647 -0.1761 -0.1761 0.1529 0.1529 2.3531 2.3531 4.0236 4.0236 8.4737 8.4737 10.9504 10.9504 11.3273 11.3273 12.4694 12.4694 12.9512 12.9512 18.5770 18.5770 21.1366 21.1366 22.0126 22.0126 22.4080 22.4080 k = 0.1976 0.2922 0.5709 ( 1250 PWs) bands (ev): -10.8966 -10.8966 -8.0842 -8.0842 -0.1373 -0.1373 0.1880 0.1880 2.3966 2.3966 4.0773 4.0773 8.4435 8.4435 10.9085 10.9085 11.2911 11.2911 12.4329 12.4329 12.9380 12.9380 18.5284 18.5284 21.1983 21.1983 21.9367 21.9367 22.2696 22.2696 k = 0.1914 0.2831 0.5709 ( 1242 PWs) bands (ev): -10.9093 -10.9093 -8.1039 -8.1039 -0.0988 -0.0988 0.2255 0.2255 2.4433 2.4433 4.1310 4.1310 8.4138 8.4138 10.8594 10.8594 11.2472 11.2472 12.3983 12.3983 12.9274 12.9274 18.4774 18.4774 21.2702 21.2702 21.8619 21.8619 22.1306 22.1306 k = 0.1853 0.2739 0.5709 ( 1238 PWs) bands (ev): -10.9220 -10.9220 -8.1236 -8.1236 -0.0607 -0.0607 0.2652 0.2652 2.4931 2.4931 4.1846 4.1846 8.3847 8.3847 10.8034 10.8034 11.1960 11.1960 12.3657 12.3657 12.9193 12.9193 18.4241 18.4241 21.3516 21.3516 21.7877 21.7877 21.9918 21.9918 k = 0.1791 0.2648 0.5709 ( 1238 PWs) bands (ev): -10.9347 -10.9347 -8.1435 -8.1435 -0.0230 -0.0230 0.3071 0.3071 2.5459 2.5459 4.2379 4.2379 8.3562 8.3562 10.7409 10.7409 11.1379 11.1379 12.3351 12.3351 12.9138 12.9138 18.3688 18.3688 21.4416 21.4416 21.7125 21.7125 21.8555 21.8555 k = 0.1729 0.2557 0.5709 ( 1238 PWs) bands (ev): -10.9475 -10.9475 -8.1633 -8.1633 0.0142 0.0142 0.3508 0.3508 2.6015 2.6015 4.2909 4.2909 8.3285 8.3285 10.6725 10.6725 11.0736 11.0736 12.3063 12.3063 12.9109 12.9109 18.3117 18.3117 21.5367 21.5367 21.6323 21.6323 21.7291 21.7291 k = 0.1667 0.2465 0.5709 ( 1238 PWs) bands (ev): -10.9602 -10.9602 -8.1830 -8.1830 0.0509 0.0509 0.3964 0.3964 2.6598 2.6598 4.3436 4.3436 8.3014 8.3014 10.5983 10.5983 11.0036 11.0036 12.2795 12.2795 12.9107 12.9107 18.2531 18.2531 21.5146 21.5146 21.6240 21.6240 21.6572 21.6572 k = 0.1606 0.2374 0.5709 ( 1238 PWs) bands (ev): -10.9728 -10.9728 -8.2026 -8.2026 0.0869 0.0869 0.4435 0.4435 2.7206 2.7206 4.3959 4.3959 8.2751 8.2751 10.5190 10.5190 10.9284 10.9284 12.2545 12.2545 12.9131 12.9131 18.1931 18.1931 21.3873 21.3873 21.5494 21.5494 21.7659 21.7659 k = 0.1544 0.2283 0.5709 ( 1234 PWs) bands (ev): -10.9853 -10.9853 -8.2220 -8.2220 0.1222 0.1222 0.4920 0.4920 2.7838 2.7838 4.4478 4.4478 8.2497 8.2497 10.4348 10.4348 10.8488 10.8488 12.2314 12.2314 12.9180 12.9180 18.1322 18.1322 21.2500 21.2500 21.4828 21.4828 21.8853 21.8853 k = 0.1482 0.2191 0.5709 ( 1230 PWs) bands (ev): -10.9977 -10.9977 -8.2411 -8.2411 0.1567 0.1567 0.5417 0.5417 2.8491 2.8491 4.4991 4.4991 8.2250 8.2250 10.3462 10.3462 10.7654 10.7654 12.2100 12.2100 12.9256 12.9256 18.0705 18.0705 21.1101 21.1101 21.4210 21.4210 22.0106 22.0106 k = 0.1420 0.2100 0.5709 ( 1230 PWs) bands (ev): -11.0099 -11.0099 -8.2599 -8.2599 0.1904 0.1904 0.5924 0.5924 2.9164 2.9164 4.5499 4.5499 8.2013 8.2013 10.2537 10.2537 10.6789 10.6789 12.1905 12.1905 12.9356 12.9356 18.0082 18.0082 20.9700 20.9700 21.3624 21.3624 22.1406 22.1406 k = 0.1359 0.2009 0.5709 ( 1238 PWs) bands (ev): -11.0218 -11.0218 -8.2784 -8.2784 0.2233 0.2233 0.6438 0.6438 2.9853 2.9853 4.6002 4.6002 8.1784 8.1784 10.1576 10.1576 10.5899 10.5899 12.1726 12.1726 12.9480 12.9480 17.9458 17.9458 20.8304 20.8304 21.3067 21.3067 22.2746 22.2746 k = 0.1297 0.1918 0.5709 ( 1238 PWs) bands (ev): -11.0335 -11.0335 -8.2964 -8.2964 0.2552 0.2552 0.6958 0.6958 3.0556 3.0556 4.6499 4.6499 8.1565 8.1565 10.0584 10.0584 10.4991 10.4991 12.1563 12.1563 12.9628 12.9628 17.8834 17.8834 20.6923 20.6923 21.2535 21.2535 22.4117 22.4117 k = 0.1235 0.1826 0.5709 ( 1242 PWs) bands (ev): -11.0449 -11.0449 -8.3140 -8.3140 0.2860 0.2860 0.7480 0.7480 3.1270 3.1270 4.6990 4.6990 8.1356 8.1356 9.9565 9.9565 10.4071 10.4071 12.1417 12.1417 12.9797 12.9797 17.8214 17.8214 20.5559 20.5559 21.2028 21.2028 22.5510 22.5510 k = 0.1173 0.1735 0.5709 ( 1242 PWs) bands (ev): -11.0560 -11.0560 -8.3310 -8.3310 0.3158 0.3158 0.8003 0.8003 3.1993 3.1993 4.7475 4.7475 8.1156 8.1156 9.8525 9.8525 10.3147 10.3147 12.1286 12.1286 12.9986 12.9986 17.7600 17.7600 20.4218 20.4218 21.1545 21.1545 22.6918 22.6918 k = 0.1112 0.1644 0.5709 ( 1242 PWs) bands (ev): -11.0667 -11.0667 -8.3475 -8.3475 0.3445 0.3445 0.8524 0.8524 3.2719 3.2719 4.7954 4.7954 8.0968 8.0968 9.7468 9.7468 10.2225 10.2225 12.1169 12.1169 13.0193 13.0193 17.6996 17.6996 20.2905 20.2905 21.1086 21.1086 22.8331 22.8331 k = 0.1050 0.1552 0.5709 ( 1246 PWs) bands (ev): -11.0771 -11.0771 -8.3633 -8.3633 0.3720 0.3720 0.9040 0.9040 3.3446 3.3446 4.8428 4.8428 8.0789 8.0789 9.6399 9.6399 10.1310 10.1310 12.1066 12.1066 13.0416 13.0416 17.6405 17.6405 20.1624 20.1624 21.0651 21.0651 22.9742 22.9742 k = 0.0988 0.1461 0.5709 ( 1244 PWs) bands (ev): -11.0870 -11.0870 -8.3785 -8.3785 0.3982 0.3982 0.9547 0.9547 3.4169 3.4169 4.8895 4.8895 8.0622 8.0622 9.5324 9.5324 10.0409 10.0409 12.0976 12.0976 13.0653 13.0653 17.5828 17.5828 20.0379 20.0379 21.0240 21.0240 23.1141 23.1141 k = 0.0926 0.1370 0.5709 ( 1248 PWs) bands (ev): -11.0965 -11.0965 -8.3930 -8.3930 0.4231 0.4231 1.0045 1.0045 3.4884 3.4884 4.9357 4.9357 8.0465 8.0465 9.4248 9.4248 9.9528 9.9528 12.0898 12.0898 13.0901 13.0901 17.5269 17.5269 19.9174 19.9174 20.9853 20.9853 23.2519 23.2519 k = 0.0865 0.1278 0.5709 ( 1248 PWs) bands (ev): -11.1055 -11.1055 -8.4067 -8.4067 0.4467 0.4467 1.0529 1.0529 3.5585 3.5585 4.9814 4.9814 8.0320 8.0320 9.3178 9.3178 9.8672 9.8672 12.0831 12.0831 13.1157 13.1157 17.4732 17.4732 19.8016 19.8016 20.9491 20.9491 23.3867 23.3867 k = 0.0803 0.1187 0.5709 ( 1248 PWs) bands (ev): -11.1140 -11.1140 -8.4197 -8.4197 0.4689 0.4689 1.0996 1.0996 3.6269 3.6269 5.0264 5.0264 8.0187 8.0187 9.2121 9.2121 9.7846 9.7846 12.0774 12.0774 13.1419 13.1419 17.4217 17.4217 19.6907 19.6907 20.9153 20.9153 23.5173 23.5173 k = 0.0741 0.1096 0.5709 ( 1244 PWs) bands (ev): -11.1220 -11.1220 -8.4318 -8.4318 0.4896 0.4896 1.1445 1.1445 3.6929 3.6929 5.0706 5.0706 8.0065 8.0065 9.1082 9.1082 9.7056 9.7056 12.0727 12.0727 13.1683 13.1683 17.3729 17.3729 19.5854 19.5854 20.8839 20.8839 23.6427 23.6427 k = 0.0679 0.1004 0.5709 ( 1246 PWs) bands (ev): -11.1294 -11.1294 -8.4431 -8.4431 0.5088 0.5088 1.1871 1.1871 3.7560 3.7560 5.1140 5.1140 7.9955 7.9955 9.0072 9.0072 9.6307 9.6307 12.0687 12.0687 13.1944 13.1944 17.3270 17.3270 19.4861 19.4861 20.8550 20.8550 23.7611 23.7611 k = 0.0618 0.0913 0.5709 ( 1238 PWs) bands (ev): -11.1362 -11.1362 -8.4535 -8.4535 0.5265 0.5265 1.2271 1.2271 3.8158 3.8158 5.1564 5.1564 7.9857 7.9857 8.9096 8.9096 9.5604 9.5604 12.0655 12.0655 13.2201 13.2201 17.2842 17.2842 19.3932 19.3932 20.8286 20.8286 23.8700 23.8700 k = 0.0556 0.0822 0.5709 ( 1230 PWs) bands (ev): -11.1425 -11.1425 -8.4629 -8.4629 0.5427 0.5427 1.2644 1.2644 3.8715 3.8715 5.1974 5.1974 7.9771 7.9771 8.8166 8.8166 9.4951 9.4951 12.0630 12.0630 13.2449 13.2449 17.2447 17.2447 19.3073 19.3073 20.8047 20.8047 23.9630 23.9630 k = 0.0494 0.0730 0.5709 ( 1226 PWs) bands (ev): -11.1481 -11.1481 -8.4715 -8.4715 0.5572 0.5572 1.2986 1.2986 3.9228 3.9228 5.2367 5.2367 7.9697 7.9697 8.7289 8.7289 9.4353 9.4353 12.0610 12.0610 13.2684 13.2684 17.2087 17.2087 19.2289 19.2289 20.7832 20.7832 24.0233 24.0233 k = 0.0432 0.0639 0.5709 ( 1226 PWs) bands (ev): -11.1532 -11.1532 -8.4791 -8.4791 0.5701 0.5701 1.3295 1.3295 3.9692 3.9692 5.2738 5.2738 7.9635 7.9635 8.6477 8.6477 9.3814 9.3814 12.0595 12.0595 13.2902 13.2902 17.1765 17.1765 19.1584 19.1584 20.7643 20.7643 24.0414 24.0414 k = 0.0371 0.0548 0.5709 ( 1234 PWs) bands (ev): -11.1576 -11.1576 -8.4857 -8.4857 0.5814 0.5814 1.3568 1.3568 4.0103 4.0103 5.3081 5.3081 7.9584 7.9584 8.5740 8.5740 9.3337 9.3337 12.0583 12.0583 13.3100 13.3100 17.1482 17.1482 19.0962 19.0962 20.7479 20.7479 24.0401 24.0401 k = 0.0309 0.0457 0.5709 ( 1234 PWs) bands (ev): -11.1613 -11.1613 -8.4914 -8.4914 0.5909 0.5909 1.3802 1.3802 4.0456 4.0456 5.3389 5.3389 7.9544 7.9544 8.5089 8.5089 9.2928 9.2928 12.0575 12.0575 13.3275 13.3275 17.1239 17.1239 19.0429 19.0429 20.7339 20.7339 24.0340 24.0340 k = 0.0247 0.0365 0.5709 ( 1230 PWs) bands (ev): -11.1644 -11.1644 -8.4960 -8.4960 0.5988 0.5988 1.3997 1.3997 4.0749 4.0749 5.3655 5.3655 7.9514 7.9514 8.4536 8.4536 9.2588 9.2588 12.0569 12.0569 13.3422 13.3422 17.1040 17.1040 18.9986 18.9986 20.7226 20.7226 24.0274 24.0274 k = 0.0185 0.0274 0.5709 ( 1230 PWs) bands (ev): -11.1667 -11.1667 -8.4996 -8.4996 0.6049 0.6049 1.4151 1.4151 4.0979 4.0979 5.3871 5.3871 7.9494 7.9494 8.4091 8.4091 9.2320 9.2320 12.0565 12.0565 13.3540 13.3540 17.0883 17.0883 18.9639 18.9639 20.7137 20.7137 24.0217 24.0217 k = 0.0124 0.0183 0.5709 ( 1226 PWs) bands (ev): -11.1685 -11.1685 -8.5022 -8.5022 0.6093 0.6093 1.4261 1.4261 4.1145 4.1145 5.4032 5.4032 7.9481 7.9481 8.3765 8.3765 9.2128 9.2128 12.0562 12.0562 13.3626 13.3626 17.0770 17.0770 18.9389 18.9389 20.7074 20.7074 24.0173 24.0173 k = 0.0062 0.0091 0.5709 ( 1230 PWs) bands (ev): -11.1695 -11.1695 -8.5037 -8.5037 0.6119 0.6119 1.4328 1.4328 4.1245 4.1245 5.4130 5.4130 7.9474 7.9474 8.3565 8.3565 9.2011 9.2011 12.0561 12.0561 13.3678 13.3678 17.0702 17.0702 18.9238 18.9238 20.7036 20.7036 24.0147 24.0147 k = 0.0000 0.0000 0.5709 ( 1228 PWs) bands (ev): -11.1698 -11.1698 -8.5043 -8.5043 0.6128 0.6128 1.4350 1.4350 4.1279 4.1279 5.4163 5.4163 7.9472 7.9472 8.3498 8.3498 9.1973 9.1973 12.0560 12.0560 13.3695 13.3695 17.0679 17.0679 18.9187 18.9187 20.7023 20.7023 24.0138 24.0138 k = 0.0000 0.0000 0.5709 ( 1228 PWs) bands (ev): -11.1698 -11.1698 -8.5043 -8.5043 0.6128 0.6128 1.4350 1.4350 4.1279 4.1279 5.4163 5.4163 7.9472 7.9472 8.3498 8.3498 9.1973 9.1973 12.0560 12.0560 13.3695 13.3695 17.0679 17.0679 18.9187 18.9187 20.7023 20.7023 24.0138 24.0138 k = 0.0000 0.0000 0.5599 ( 1230 PWs) bands (ev): -11.1721 -11.1721 -8.5019 -8.5019 0.6125 0.6125 1.4362 1.4362 4.1268 4.1268 5.4150 5.4150 7.9445 7.9445 8.3539 8.3539 9.2005 9.2005 12.0548 12.0548 13.3706 13.3706 17.0705 17.0705 18.9214 18.9214 20.7028 20.7028 24.0061 24.0061 k = 0.0000 0.0000 0.5489 ( 1234 PWs) bands (ev): -11.1790 -11.1790 -8.4949 -8.4949 0.6116 0.6116 1.4399 1.4399 4.1237 4.1237 5.4108 5.4108 7.9368 7.9368 8.3661 8.3661 9.2101 9.2101 12.0513 12.0513 13.3738 13.3738 17.0784 17.0784 18.9294 18.9294 20.7042 20.7042 23.9832 23.9832 k = 0.0000 0.0000 0.5380 ( 1234 PWs) bands (ev): -11.1903 -11.1903 -8.4833 -8.4833 0.6102 0.6102 1.4459 1.4459 4.1185 4.1185 5.4040 5.4040 7.9247 7.9247 8.3854 8.3854 9.2260 9.2260 12.0453 12.0453 13.3792 13.3792 17.0914 17.0914 18.9427 18.9427 20.7065 20.7065 23.9453 23.9453 k = 0.0000 0.0000 0.5270 ( 1234 PWs) bands (ev): -11.2058 -11.2058 -8.4673 -8.4673 0.6083 0.6083 1.4544 1.4544 4.1112 4.1112 5.3945 5.3945 7.9093 7.9093 8.4110 8.4110 9.2480 9.2480 12.0371 12.0371 13.3867 13.3867 17.1096 17.1096 18.9613 18.9613 20.7095 20.7095 23.8930 23.8930 k = 0.0000 0.0000 0.5160 ( 1234 PWs) bands (ev): -11.2255 -11.2255 -8.4471 -8.4471 0.6057 0.6057 1.4652 1.4652 4.1021 4.1021 5.3825 5.3825 7.8915 7.8915 8.4419 8.4419 9.2761 9.2761 12.0265 12.0265 13.3963 13.3963 17.1328 17.1328 18.9850 18.9850 20.7129 20.7129 23.8269 23.8269 k = 0.0000 0.0000 0.5050 ( 1234 PWs) bands (ev): -11.2489 -11.2489 -8.4231 -8.4231 0.6027 0.6027 1.4784 1.4784 4.0910 4.0910 5.3683 5.3683 7.8720 7.8720 8.4773 8.4773 9.3100 9.3100 12.0138 12.0138 13.4080 13.4080 17.1611 17.1611 19.0137 19.0137 20.7164 20.7164 23.7480 23.7480 k = 0.0000 0.0000 0.4941 ( 1232 PWs) bands (ev): -11.2759 -11.2759 -8.3954 -8.3954 0.5991 0.5991 1.4940 1.4940 4.0783 4.0783 5.3519 5.3519 7.8513 7.8513 8.5167 8.5167 9.3494 9.3494 11.9991 11.9991 13.4218 13.4218 17.1944 17.1944 19.0474 19.0474 20.7195 20.7195 23.6576 23.6576 k = 0.0000 0.0000 0.4831 ( 1232 PWs) bands (ev): -11.3061 -11.3061 -8.3645 -8.3645 0.5951 0.5951 1.5119 1.5119 4.0639 4.0639 5.3335 5.3335 7.8300 7.8300 8.5595 8.5595 9.3941 9.3941 11.9823 11.9823 13.4376 13.4376 17.2326 17.2326 19.0860 19.0860 20.7216 20.7216 23.5570 23.5570 k = 0.0000 0.0000 0.4721 ( 1240 PWs) bands (ev): -11.3391 -11.3391 -8.3307 -8.3307 0.5905 0.5905 1.5321 1.5321 4.0480 4.0480 5.3133 5.3133 7.8082 7.8082 8.6055 8.6055 9.4437 9.4437 11.9636 11.9636 13.4553 13.4553 17.2754 17.2754 19.1291 19.1291 20.7220 20.7220 23.4479 23.4479 k = 0.0000 0.0000 0.4611 ( 1238 PWs) bands (ev): -11.3747 -11.3747 -8.2944 -8.2944 0.5855 0.5855 1.5545 1.5545 4.0308 4.0308 5.2916 5.2916 7.7862 7.7862 8.6544 8.6544 9.4980 9.4980 11.9432 11.9432 13.4750 13.4750 17.3230 17.3230 19.1768 19.1768 20.7197 20.7197 23.3321 23.3321 k = 0.0000 0.0000 0.4501 ( 1234 PWs) bands (ev): -11.4126 -11.4126 -8.2558 -8.2558 0.5800 0.5800 1.5792 1.5792 4.0125 4.0125 5.2685 5.2685 7.7640 7.7640 8.7059 8.7059 9.5565 9.5565 11.9211 11.9211 13.4966 13.4966 17.3750 17.3750 19.2287 19.2287 20.7136 20.7136 23.2118 23.2118 k = 0.0000 0.0000 0.4392 ( 1234 PWs) bands (ev): -11.4523 -11.4523 -8.2153 -8.2153 0.5741 0.5741 1.6059 1.6059 3.9933 3.9933 5.2443 5.2443 7.7419 7.7419 8.7600 8.7600 9.6191 9.6191 11.8975 11.8975 13.5201 13.5201 17.4313 17.4313 19.2847 19.2847 20.7021 20.7021 23.0893 23.0893 k = 0.0000 0.0000 0.4282 ( 1236 PWs) bands (ev): -11.4937 -11.4937 -8.1733 -8.1733 0.5678 0.5678 1.6347 1.6347 3.9733 3.9733 5.2191 5.2191 7.7197 7.7197 8.8166 8.8166 9.6853 9.6853 11.8726 11.8726 13.5453 13.5453 17.4919 17.4919 19.3446 19.3446 20.6835 20.6835 22.9674 22.9674 k = 0.0000 0.0000 0.4172 ( 1230 PWs) bands (ev): -11.5363 -11.5363 -8.1301 -8.1301 0.5611 0.5611 1.6655 1.6655 3.9529 3.9529 5.1932 5.1932 7.6977 7.6977 8.8754 8.8754 9.7548 9.7548 11.8464 11.8464 13.5723 13.5723 17.5564 17.5564 19.4082 19.4082 20.6559 20.6559 22.8488 22.8488 k = 0.0000 0.0000 0.4062 ( 1226 PWs) bands (ev): -11.5801 -11.5801 -8.0860 -8.0860 0.5541 0.5541 1.6980 1.6980 3.9322 3.9322 5.1667 5.1667 7.6757 7.6757 8.9365 8.9365 9.8272 9.8272 11.8192 11.8192 13.6009 13.6009 17.6248 17.6248 19.4753 19.4753 20.6170 20.6170 22.7366 22.7366 k = 0.0000 0.0000 0.3952 ( 1230 PWs) bands (ev): -11.6246 -11.6246 -8.0412 -8.0412 0.5468 0.5468 1.7323 1.7323 3.9116 3.9116 5.1397 5.1397 7.6537 7.6537 8.9996 8.9996 9.9023 9.9023 11.7910 11.7910 13.6310 13.6310 17.6968 17.6968 19.5455 19.5455 20.5645 20.5645 22.6339 22.6339 k = 0.0000 0.0000 0.3843 ( 1230 PWs) bands (ev): -11.6697 -11.6697 -7.9959 -7.9959 0.5392 0.5392 1.7680 1.7680 3.8913 3.8913 5.1125 5.1125 7.6319 7.6319 9.0647 9.0647 9.9798 9.9798 11.7620 11.7620 13.6626 13.6626 17.7722 17.7722 19.6187 19.6187 20.4964 20.4964 22.5434 22.5434 k = 0.0000 0.0000 0.3733 ( 1234 PWs) bands (ev): -11.7151 -11.7151 -7.9505 -7.9505 0.5313 0.5313 1.8051 1.8051 3.8716 3.8716 5.0851 5.0851 7.6101 7.6101 9.1316 9.1316 10.0592 10.0592 11.7323 11.7323 13.6955 13.6955 17.8508 17.8508 19.6946 19.6946 20.4114 20.4114 22.4672 22.4672 k = 0.0000 0.0000 0.3623 ( 1234 PWs) bands (ev): -11.7607 -11.7607 -7.9052 -7.9052 0.5232 0.5232 1.8432 1.8432 3.8528 3.8528 5.0578 5.0578 7.5884 7.5884 9.2003 9.2003 10.1403 10.1403 11.7022 11.7022 13.7298 13.7298 17.9325 17.9325 19.7729 19.7729 20.3088 20.3088 22.4067 22.4067 k = 0.0000 0.0000 0.3513 ( 1234 PWs) bands (ev): -11.8063 -11.8063 -7.8600 -7.8600 0.5149 0.5149 1.8823 1.8823 3.8353 3.8353 5.0307 5.0307 7.5667 7.5667 9.2707 9.2707 10.2229 10.2229 11.6716 11.6716 13.7652 13.7652 18.0168 18.0168 19.8531 19.8531 20.1894 20.1894 22.3619 22.3619 k = 0.0000 0.0000 0.3403 ( 1226 PWs) bands (ev): -11.8517 -11.8517 -7.8154 -7.8154 0.5065 0.5065 1.9218 1.9218 3.8194 3.8194 5.0038 5.0038 7.5451 7.5451 9.3425 9.3425 10.3065 10.3065 11.6408 11.6408 13.8017 13.8017 18.1036 18.1036 19.9337 19.9337 20.0557 20.0557 22.3321 22.3321 k = 0.0000 0.0000 0.3294 ( 1226 PWs) bands (ev): -11.8967 -11.8967 -7.7713 -7.7713 0.4979 0.4979 1.9616 1.9616 3.8055 3.8055 4.9774 4.9774 7.5236 7.5236 9.4156 9.4156 10.3910 10.3910 11.6098 11.6098 13.8391 13.8391 18.1926 18.1926 19.8994 19.8994 20.0246 20.0246 22.3159 22.3159 k = 0.0000 0.0000 0.3184 ( 1226 PWs) bands (ev): -11.9413 -11.9413 -7.7279 -7.7279 0.4892 0.4892 2.0013 2.0013 3.7939 3.7939 4.9514 4.9514 7.5021 7.5021 9.4899 9.4899 10.4760 10.4760 11.5788 11.5788 13.8774 13.8774 18.2835 18.2835 19.7400 19.7400 20.1083 20.1083 22.3116 22.3116 k = 0.0000 0.0000 0.3074 ( 1231 PWs) bands (ev): -11.9852 -11.9852 -7.6854 -7.6854 0.4804 0.4804 2.0405 2.0405 3.7849 3.7849 4.9261 4.9261 7.4806 7.4806 9.5651 9.5651 10.5613 10.5613 11.5479 11.5479 13.9164 13.9164 18.3761 18.3761 19.5694 19.5694 20.1948 20.1948 22.3174 22.3174 k = 0.0000 0.0000 0.2964 ( 1231 PWs) bands (ev): -12.0284 -12.0284 -7.6439 -7.6439 0.4716 0.4716 2.0788 2.0788 3.7790 3.7790 4.9016 4.9016 7.4592 7.4592 9.6412 9.6412 10.6465 10.6465 11.5172 11.5172 13.9559 13.9559 18.4700 18.4700 19.3912 19.3912 20.2824 20.2824 22.3316 22.3316 k = 0.0000 0.0000 0.2855 ( 1231 PWs) bands (ev): -12.0707 -12.0707 -7.6035 -7.6035 0.4628 0.4628 2.1158 2.1158 3.7765 3.7765 4.8780 4.8780 7.4378 7.4378 9.7180 9.7180 10.7316 10.7316 11.4869 11.4869 13.9959 13.9959 18.5649 18.5649 19.2074 19.2074 20.3708 20.3708 22.3527 22.3527 k = 0.0000 0.0000 0.2745 ( 1231 PWs) bands (ev): -12.1121 -12.1121 -7.5642 -7.5642 0.4540 0.4540 2.1510 2.1510 3.7776 3.7776 4.8554 4.8554 7.4164 7.4164 9.7951 9.7951 10.8160 10.8160 11.4569 11.4569 14.0362 14.0362 18.6605 18.6605 19.0199 19.0199 20.4595 20.4595 22.3792 22.3792 k = 0.0000 0.0000 0.2635 ( 1231 PWs) bands (ev): -12.1525 -12.1525 -7.5263 -7.5263 0.4453 0.4453 2.1842 2.1842 3.7827 3.7827 4.8340 4.8340 7.3951 7.3951 9.8725 9.8725 10.8998 10.8998 11.4274 11.4274 14.0766 14.0766 18.7560 18.7560 18.8304 18.8304 20.5482 20.5482 22.4100 22.4100 k = 0.0000 0.0000 0.2525 ( 1235 PWs) bands (ev): -12.1917 -12.1917 -7.4897 -7.4897 0.4367 0.4367 2.2149 2.2149 3.7917 3.7917 4.8139 4.8139 7.3738 7.3738 9.9499 9.9499 10.9824 10.9824 11.3986 11.3986 14.1171 14.1171 18.6389 18.6389 18.8526 18.8526 20.6367 20.6367 22.4442 22.4442 k = 0.0000 0.0000 0.2415 ( 1239 PWs) bands (ev): -12.2297 -12.2297 -7.4544 -7.4544 0.4282 0.4282 2.2428 2.2428 3.8048 3.8048 4.7952 4.7952 7.3525 7.3525 10.0270 10.0270 11.0639 11.0639 11.3704 11.3704 14.1574 14.1574 18.4484 18.4484 18.9480 18.9480 20.7246 20.7246 22.4808 22.4808 k = 0.0000 0.0000 0.2306 ( 1235 PWs) bands (ev): -12.2665 -12.2665 -7.4207 -7.4207 0.4198 0.4198 2.2678 2.2678 3.8219 3.8219 4.7782 4.7782 7.3313 7.3313 10.1036 10.1036 11.1437 11.1437 11.3429 11.3429 14.1974 14.1974 18.2591 18.2591 19.0429 19.0429 20.8117 20.8117 22.5190 22.5190 k = 0.0000 0.0000 0.2196 ( 1247 PWs) bands (ev): -12.3019 -12.3019 -7.3884 -7.3884 0.4116 0.4116 2.2897 2.2897 3.8428 3.8428 4.7631 4.7631 7.3101 7.3101 10.1794 10.1794 11.2219 11.2219 11.3164 11.3164 14.2368 14.2368 18.0720 18.0720 19.1366 19.1366 20.8976 20.8976 22.5581 22.5581 k = 0.0000 0.0000 0.2086 ( 1253 PWs) bands (ev): -12.3359 -12.3359 -7.3576 -7.3576 0.4037 0.4037 2.3086 2.3086 3.8670 3.8670 4.7501 4.7501 7.2891 7.2891 10.2543 10.2543 11.2897 11.2897 11.2989 11.2989 14.2757 14.2757 17.8880 17.8880 19.2288 19.2288 20.9820 20.9820 22.5976 22.5976 k = 0.0000 0.0000 0.1976 ( 1257 PWs) bands (ev): -12.3685 -12.3685 -7.3284 -7.3284 0.3959 0.3959 2.3244 2.3244 3.8940 3.8940 4.7394 4.7394 7.2681 7.2681 10.3278 10.3278 11.2657 11.2657 11.3721 11.3721 14.3138 14.3138 17.7079 17.7079 19.3193 19.3193 21.0646 21.0646 22.6368 22.6368 k = 0.0000 0.0000 0.1866 ( 1259 PWs) bands (ev): -12.3995 -12.3995 -7.3008 -7.3008 0.3884 0.3884 2.3373 2.3373 3.9232 3.9232 4.7314 4.7314 7.2472 7.2472 10.3997 10.3997 11.2420 11.2420 11.4436 11.4436 14.3509 14.3509 17.5324 17.5324 19.4075 19.4075 21.1452 21.1452 22.6751 22.6751 k = 0.0000 0.0000 0.1757 ( 1259 PWs) bands (ev): -12.4290 -12.4290 -7.2747 -7.2747 0.3813 0.3813 2.3475 2.3475 3.9537 3.9537 4.7263 4.7263 7.2266 7.2266 10.4698 10.4698 11.2194 11.2194 11.5124 11.5124 14.3870 14.3870 17.3624 17.3624 19.4931 19.4931 21.2232 21.2232 22.7122 22.7122 k = 0.0000 0.0000 0.1647 ( 1259 PWs) bands (ev): -12.4569 -12.4569 -7.2503 -7.2503 0.3744 0.3744 2.3553 2.3553 3.9847 3.9847 4.7244 4.7244 7.2061 7.2061 10.5378 10.5378 11.1979 11.1979 11.5784 11.5784 14.4219 14.4219 17.1984 17.1984 19.5756 19.5756 21.2986 21.2986 22.7473 22.7473 k = 0.0000 0.0000 0.1537 ( 1259 PWs) bands (ev): -12.4832 -12.4832 -7.2274 -7.2274 0.3678 0.3678 2.3610 2.3610 4.0152 4.0152 4.7260 4.7260 7.1859 7.1859 10.6032 10.6032 11.1775 11.1775 11.6413 11.6413 14.4553 14.4553 17.0412 17.0412 19.6548 19.6548 21.3709 21.3709 22.7802 22.7802 k = 0.0000 0.0000 0.1427 ( 1263 PWs) bands (ev): -12.5078 -12.5078 -7.2062 -7.2062 0.3616 0.3616 2.3649 2.3649 4.0444 4.0444 4.7313 4.7313 7.1661 7.1661 10.6659 10.6659 11.1584 11.1584 11.7009 11.7009 14.4872 14.4872 16.8913 16.8913 19.7303 19.7303 21.4398 21.4398 22.8102 22.8102 k = 0.0000 0.0000 0.1317 ( 1259 PWs) bands (ev): -12.5307 -12.5307 -7.1866 -7.1866 0.3558 0.3558 2.3672 2.3672 4.0715 4.0715 4.7404 4.7404 7.1468 7.1468 10.7255 10.7255 11.1405 11.1405 11.7570 11.7570 14.5174 14.5174 16.7495 16.7495 19.8017 19.8017 21.5052 21.5052 22.8372 22.8372 k = 0.0000 0.0000 0.1208 ( 1259 PWs) bands (ev): -12.5519 -12.5519 -7.1685 -7.1685 0.3504 0.3504 2.3683 2.3683 4.0959 4.0959 4.7530 4.7530 7.1280 7.1280 10.7817 10.7817 11.1240 11.1240 11.8095 11.8095 14.5458 14.5458 16.6164 16.6164 19.8686 19.8686 21.5665 21.5665 22.8607 22.8607 k = 0.0000 0.0000 0.1098 ( 1259 PWs) bands (ev): -12.5713 -12.5713 -7.1521 -7.1521 0.3454 0.3454 2.3684 2.3684 4.1172 4.1172 4.7688 4.7688 7.1099 7.1099 10.8342 10.8342 11.1087 11.1087 11.8581 11.8581 14.5722 14.5722 16.4924 16.4924 19.9308 19.9308 21.6235 21.6235 22.8805 22.8805 k = 0.0000 0.0000 0.0988 ( 1257 PWs) bands (ev): -12.5889 -12.5889 -7.1373 -7.1373 0.3408 0.3408 2.3678 2.3678 4.1353 4.1353 4.7873 4.7873 7.0926 7.0926 10.8828 10.8828 11.0948 11.0948 11.9026 11.9026 14.5965 14.5965 16.3783 16.3783 19.9881 19.9881 21.6761 21.6761 22.8965 22.8965 k = 0.0000 0.0000 0.0878 ( 1257 PWs) bands (ev): -12.6047 -12.6047 -7.1240 -7.1240 0.3367 0.3367 2.3667 2.3667 4.1502 4.1502 4.8075 4.8075 7.0764 7.0764 10.9271 10.9271 11.0824 11.0824 11.9430 11.9430 14.6185 14.6185 16.2745 16.2745 20.0400 20.0400 21.7239 21.7239 22.9088 22.9088 k = 0.0000 0.0000 0.0769 ( 1259 PWs) bands (ev): -12.6187 -12.6187 -7.1124 -7.1124 0.3330 0.3330 2.3653 2.3653 4.1622 4.1622 4.8285 4.8285 7.0614 7.0614 10.9669 10.9669 11.0713 11.0713 11.9790 11.9790 14.6383 14.6383 16.1816 16.1816 20.0864 20.0864 21.7667 21.7667 22.9175 22.9175 k = 0.0000 0.0000 0.0659 ( 1259 PWs) bands (ev): -12.6309 -12.6309 -7.1023 -7.1023 0.3298 0.3298 2.3638 2.3638 4.1717 4.1717 4.8494 4.8494 7.0478 7.0478 11.0019 11.0019 11.0617 11.0617 12.0105 12.0105 14.6556 14.6556 16.1000 16.1000 20.1270 20.1270 21.8042 21.8042 22.9232 22.9232 k = 0.0000 0.0000 0.0549 ( 1259 PWs) bands (ev): -12.6412 -12.6412 -7.0937 -7.0937 0.3270 0.3270 2.3622 2.3622 4.1790 4.1790 4.8690 4.8690 7.0358 7.0358 11.0320 11.0320 11.0535 11.0535 12.0374 12.0374 14.6704 14.6704 16.0302 16.0302 20.1617 20.1617 21.8363 21.8363 22.9264 22.9264 k = 0.0000 0.0000 0.0439 ( 1259 PWs) bands (ev): -12.6497 -12.6497 -7.0868 -7.0868 0.3248 0.3248 2.3608 2.3608 4.1844 4.1844 4.8865 4.8865 7.0256 7.0256 11.0468 11.0468 11.0569 11.0569 12.0596 12.0596 14.6827 14.6827 15.9725 15.9725 20.1903 20.1903 21.8628 21.8628 22.9277 22.9277 k = 0.0000 0.0000 0.0329 ( 1263 PWs) bands (ev): -12.6563 -12.6563 -7.0814 -7.0814 0.3230 0.3230 2.3596 2.3596 4.1882 4.1882 4.9010 4.9010 7.0175 7.0175 11.0415 11.0415 11.0764 11.0764 12.0770 12.0770 14.6922 14.6922 15.9273 15.9273 20.2127 20.2127 21.8835 21.8835 22.9278 22.9278 k = 0.0000 0.0000 0.0220 ( 1267 PWs) bands (ev): -12.6610 -12.6610 -7.0775 -7.0775 0.3217 0.3217 2.3587 2.3587 4.1908 4.1908 4.9119 4.9119 7.0116 7.0116 11.0378 11.0378 11.0904 11.0904 12.0894 12.0894 14.6991 14.6991 15.8948 15.8948 20.2288 20.2288 21.8984 21.8984 22.9273 22.9273 k = 0.0000 0.0000 0.0110 ( 1275 PWs) bands (ev): -12.6638 -12.6638 -7.0752 -7.0752 0.3210 0.3210 2.3581 2.3581 4.1923 4.1923 4.9186 4.9186 7.0080 7.0080 11.0355 11.0355 11.0989 11.0989 12.0969 12.0969 14.7033 14.7033 15.8752 15.8752 20.2384 20.2384 21.9074 21.9074 22.9268 22.9268 k = 0.0000 0.0000 0.0000 ( 1275 PWs) bands (ev): -12.6648 -12.6648 -7.0744 -7.0744 0.3207 0.3207 2.3580 2.3580 4.1928 4.1928 4.9209 4.9209 7.0067 7.0067 11.0348 11.0348 11.1017 11.1017 12.0994 12.0994 14.7046 14.7046 15.8687 15.8687 20.2416 20.2416 21.9104 21.9104 22.9266 22.9266 k = 0.0000 0.0000 0.0000 ( 1275 PWs) bands (ev): -12.6648 -12.6648 -7.0744 -7.0744 0.3207 0.3207 2.3580 2.3580 4.1928 4.1928 4.9209 4.9209 7.0067 7.0067 11.0348 11.0348 11.1017 11.1017 12.0994 12.0994 14.7046 14.7046 15.8687 15.8687 20.2416 20.2416 21.9104 21.9104 22.9266 22.9266 k =-0.0091 0.0061 0.0000 ( 1273 PWs) bands (ev): -12.6641 -12.6641 -7.0748 -7.0748 0.3200 0.3200 2.3564 2.3564 4.1896 4.1896 4.9171 4.9171 7.0161 7.0161 11.0340 11.0340 11.1030 11.1030 12.1004 12.1004 14.7043 14.7043 15.8706 15.8706 20.2363 20.2363 21.9119 21.9119 22.9225 22.9225 k =-0.0182 0.0123 0.0000 ( 1269 PWs) bands (ev): -12.6622 -12.6622 -7.0761 -7.0761 0.3179 0.3179 2.3516 2.3516 4.1798 4.1798 4.9062 4.9062 7.0438 7.0438 11.0316 11.0316 11.1068 11.1068 12.1036 12.1036 14.7031 14.7031 15.8764 15.8764 20.2204 20.2204 21.9166 21.9166 22.9102 22.9102 k =-0.0273 0.0184 0.0000 ( 1265 PWs) bands (ev): -12.6589 -12.6589 -7.0781 -7.0781 0.3143 0.3143 2.3437 2.3437 4.1634 4.1634 4.8897 4.8897 7.0885 7.0885 11.0278 11.0278 11.1131 11.1131 12.1089 12.1089 14.7011 14.7011 15.8861 15.8861 20.1945 20.1945 21.9243 21.9243 22.8898 22.8898 k =-0.0364 0.0246 0.0000 ( 1265 PWs) bands (ev): -12.6544 -12.6544 -7.0810 -7.0810 0.3090 0.3090 2.3327 2.3327 4.1402 4.1402 4.8696 4.8696 7.1483 7.1483 11.0225 11.0225 11.1215 11.1215 12.1166 12.1166 14.6983 14.6983 15.8995 15.8995 20.1592 20.1592 21.9351 21.9351 22.8618 22.8618 k =-0.0455 0.0307 0.0000 ( 1261 PWs) bands (ev): -12.6485 -12.6485 -7.0846 -7.0846 0.3018 0.3018 2.3189 2.3189 4.1103 4.1103 4.8480 4.8480 7.2212 7.2212 11.0158 11.0158 11.1318 11.1318 12.1269 12.1269 14.6945 14.6945 15.9165 15.9165 20.1156 20.1156 21.9490 21.9490 22.8264 22.8264 k =-0.0545 0.0369 0.0000 ( 1261 PWs) bands (ev): -12.6414 -12.6414 -7.0890 -7.0890 0.2924 0.2924 2.3024 2.3024 4.0740 4.0740 4.8270 4.8270 7.3048 7.3048 11.0079 11.0079 11.1436 11.1436 12.1400 12.1400 14.6897 14.6897 15.9370 15.9370 20.0647 20.0647 21.9659 21.9659 22.7842 22.7842 k =-0.0636 0.0430 0.0000 ( 1259 PWs) bands (ev): -12.6331 -12.6331 -7.0942 -7.0942 0.2804 0.2804 2.2835 2.2835 4.0319 4.0319 4.8081 4.8081 7.3971 7.3971 10.9986 10.9986 11.1567 11.1567 12.1561 12.1561 14.6839 14.6839 15.9607 15.9607 20.0079 20.0079 21.9858 21.9858 22.7359 22.7359 k =-0.0727 0.0492 0.0000 ( 1256 PWs) bands (ev): -12.6235 -12.6235 -7.1000 -7.1000 0.2653 0.2653 2.2624 2.2624 3.9851 3.9851 4.7922 4.7922 7.4961 7.4961 10.9882 10.9882 11.1705 11.1705 12.1755 12.1755 14.6769 14.6769 15.9875 15.9875 19.9465 19.9465 22.0087 22.0087 22.6822 22.6822 k =-0.0818 0.0553 0.0000 ( 1256 PWs) bands (ev): -12.6126 -12.6126 -7.1065 -7.1065 0.2469 0.2469 2.2396 2.2396 3.9347 3.9347 4.7799 4.7799 7.6001 7.6001 10.9766 10.9766 11.1848 11.1848 12.1987 12.1987 14.6686 14.6686 16.0171 16.0171 19.8818 19.8818 22.0345 22.0345 22.6240 22.6240 k =-0.0909 0.0615 0.0000 ( 1256 PWs) bands (ev): -12.6006 -12.6006 -7.1137 -7.1137 0.2244 0.2244 2.2155 2.2155 3.8821 3.8821 4.7712 4.7712 7.7076 7.7076 10.9640 10.9640 11.1990 11.1990 12.2258 12.2258 14.6589 14.6589 16.0492 16.0492 19.8153 19.8153 22.0630 22.0630 22.5619 22.5619 k =-0.1000 0.0676 0.0000 ( 1260 PWs) bands (ev): -12.5874 -12.5874 -7.1214 -7.1214 0.1975 0.1975 2.1905 2.1905 3.8287 3.8287 4.7660 4.7660 7.8173 7.8173 10.9503 10.9503 11.2128 11.2128 12.2572 12.2572 14.6475 14.6475 16.0833 16.0833 19.7482 19.7482 22.0938 22.0938 22.4972 22.4972 k =-0.1091 0.0738 0.0000 ( 1252 PWs) bands (ev): -12.5731 -12.5731 -7.1296 -7.1296 0.1657 0.1657 2.1652 2.1652 3.7757 3.7757 4.7642 4.7642 7.9281 7.9281 10.9358 10.9358 11.2258 11.2258 12.2932 12.2932 14.6347 14.6347 16.1191 16.1191 19.6819 19.6819 22.1262 22.1262 22.4314 22.4314 k =-0.1182 0.0799 0.0000 ( 1252 PWs) bands (ev): -12.5576 -12.5576 -7.1384 -7.1384 0.1286 0.1286 2.1401 2.1401 3.7243 3.7243 4.7654 4.7654 8.0390 8.0390 10.9204 10.9204 11.2377 11.2377 12.3338 12.3338 14.6201 14.6201 16.1560 16.1560 19.6178 19.6178 22.1573 22.1573 22.3677 22.3677 k =-0.1273 0.0861 0.0000 ( 1252 PWs) bands (ev): -12.5411 -12.5411 -7.1476 -7.1476 0.0857 0.0857 2.1156 2.1156 3.6752 3.6752 4.7692 4.7692 8.1492 8.1492 10.9043 10.9043 11.2482 11.2482 12.3791 12.3791 14.6036 14.6036 16.1937 16.1937 19.5569 19.5569 22.1766 22.1766 22.3172 22.3172 k =-0.1364 0.0922 0.0000 ( 1252 PWs) bands (ev): -12.5235 -12.5235 -7.1571 -7.1571 0.0367 0.0367 2.0921 2.0921 3.6294 3.6294 4.7756 4.7756 8.2577 8.2577 10.8876 10.8876 11.2571 11.2571 12.4292 12.4292 14.5851 14.5851 16.2315 16.2315 19.5007 19.5007 22.1567 22.1567 22.3082 22.3082 k =-0.1455 0.0984 0.0000 ( 1250 PWs) bands (ev): -12.5049 -12.5049 -7.1670 -7.1670 -0.0183 -0.0183 2.0700 2.0700 3.5874 3.5874 4.7842 4.7842 8.3639 8.3639 10.8704 10.8704 11.2644 11.2644 12.4839 12.4839 14.5646 14.5646 16.2689 16.2689 19.4501 19.4501 22.0999 22.0999 22.3383 22.3383 k =-0.1545 0.1045 0.0000 ( 1250 PWs) bands (ev): -12.4854 -12.4854 -7.1772 -7.1772 -0.0796 -0.0796 2.0495 2.0495 3.5496 3.5496 4.7948 4.7948 8.4673 8.4673 10.8527 10.8527 11.2700 11.2700 12.5432 12.5432 14.5420 14.5420 16.3053 16.3053 19.4063 19.4063 22.0310 22.0310 22.3835 22.3835 k =-0.1636 0.1107 0.0000 ( 1250 PWs) bands (ev): -12.4649 -12.4649 -7.1875 -7.1875 -0.1468 -0.1468 2.0306 2.0306 3.5166 3.5166 4.8074 4.8074 8.5671 8.5671 10.8347 10.8347 11.2740 11.2740 12.6067 12.6067 14.5171 14.5171 16.3403 16.3403 19.3702 19.3702 21.9585 21.9585 22.4356 22.4356 k =-0.1727 0.1168 0.0000 ( 1246 PWs) bands (ev): -12.4436 -12.4436 -7.1981 -7.1981 -0.2199 -0.2199 2.0133 2.0133 3.4886 3.4886 4.8217 4.8217 8.6629 8.6629 10.8166 10.8166 11.2763 11.2763 12.6742 12.6742 14.4900 14.4900 16.3733 16.3733 19.3427 19.3427 21.8848 21.8848 22.4924 22.4924 k =-0.1818 0.1230 0.0000 ( 1250 PWs) bands (ev): -12.4215 -12.4215 -7.2087 -7.2087 -0.2984 -0.2984 1.9974 1.9974 3.4657 3.4657 4.8376 4.8376 8.7542 8.7542 10.7982 10.7982 11.2771 11.2771 12.7454 12.7454 14.4607 14.4607 16.4040 16.4040 19.3242 19.3242 21.8109 21.8109 22.5533 22.5533 k =-0.1909 0.1291 0.0000 ( 1246 PWs) bands (ev): -12.3986 -12.3986 -7.2193 -7.2193 -0.3818 -0.3818 1.9827 1.9827 3.4483 3.4483 4.8549 4.8549 8.8405 8.8405 10.7799 10.7799 11.2765 11.2765 12.8200 12.8200 14.4291 14.4291 16.4323 16.4323 19.3154 19.3154 21.7375 21.7375 22.6179 22.6179 k =-0.2000 0.1353 0.0000 ( 1246 PWs) bands (ev): -12.3750 -12.3750 -7.2300 -7.2300 -0.4697 -0.4697 1.9690 1.9690 3.4364 3.4364 4.8737 4.8737 8.9215 8.9215 10.7616 10.7616 11.2747 11.2747 12.8975 12.8975 14.3952 14.3952 16.4579 16.4579 19.3163 19.3163 21.6648 21.6648 22.6862 22.6862 k =-0.2091 0.1414 0.0000 ( 1246 PWs) bands (ev): -12.3508 -12.3508 -7.2405 -7.2405 -0.5615 -0.5615 1.9558 1.9558 3.4301 3.4301 4.8938 4.8938 8.9968 8.9968 10.7435 10.7435 11.2717 11.2717 12.9776 12.9776 14.3591 14.3591 16.4811 16.4811 19.3268 19.3268 21.5931 21.5931 22.7581 22.7581 k =-0.2182 0.1476 0.0000 ( 1244 PWs) bands (ev): -12.3261 -12.3261 -7.2509 -7.2509 -0.6565 -0.6565 1.9429 1.9429 3.4293 3.4293 4.9151 4.9151 9.0661 9.0661 10.7256 10.7256 11.2677 11.2677 13.0600 13.0600 14.3208 14.3208 16.5022 16.5022 19.3465 19.3465 21.5227 21.5227 22.8336 22.8336 k =-0.2273 0.1537 0.0000 ( 1244 PWs) bands (ev): -12.3008 -12.3008 -7.2612 -7.2612 -0.7543 -0.7543 1.9300 1.9300 3.4339 3.4339 4.9375 4.9375 9.1292 9.1292 10.7080 10.7080 11.2628 11.2628 13.1442 13.1442 14.2804 14.2804 16.5215 16.5215 19.3749 19.3749 21.4536 21.4536 22.9127 22.9127 k =-0.2364 0.1599 0.0000 ( 1244 PWs) bands (ev): -12.2751 -12.2751 -7.2711 -7.2711 -0.8541 -0.8541 1.9168 1.9168 3.4440 3.4440 4.9609 4.9609 9.1858 9.1858 10.6908 10.6908 11.2571 11.2571 13.2299 13.2299 14.2380 14.2380 16.5397 16.5397 19.4109 19.4109 21.3859 21.3859 22.9954 22.9954 k =-0.2455 0.1660 0.0000 ( 1240 PWs) bands (ev): -12.2490 -12.2490 -7.2809 -7.2809 -0.9555 -0.9555 1.9032 1.9032 3.4592 3.4592 4.9853 4.9853 9.2359 9.2359 10.6740 10.6740 11.2507 11.2507 13.3168 13.3168 14.1938 14.1938 16.5574 16.5574 19.4536 19.4536 21.3199 21.3199 23.0818 23.0818 k =-0.2545 0.1722 0.0000 ( 1242 PWs) bands (ev): -12.2227 -12.2227 -7.2902 -7.2902 -1.0579 -1.0579 1.8890 1.8890 3.4792 3.4792 5.0106 5.0106 9.2792 9.2792 10.6577 10.6577 11.2438 11.2438 13.4044 13.4044 14.1478 14.1478 16.5753 16.5753 19.5016 19.5016 21.2555 21.2555 23.1718 23.1718 k =-0.2636 0.1783 0.0000 ( 1246 PWs) bands (ev): -12.1962 -12.1962 -7.2993 -7.2993 -1.1608 -1.1608 1.8743 1.8743 3.5038 3.5038 5.0367 5.0367 9.3159 9.3159 10.6419 10.6419 11.2364 11.2364 13.4924 13.4924 14.1003 14.1003 16.5942 16.5942 19.5536 19.5536 21.1927 21.1927 23.2656 23.2656 k =-0.2727 0.1844 0.0000 ( 1248 PWs) bands (ev): -12.1696 -12.1696 -7.3079 -7.3079 -1.2637 -1.2637 1.8589 1.8589 3.5326 3.5326 5.0635 5.0635 9.3459 9.3459 10.6268 10.6268 11.2285 11.2285 13.5804 13.5804 14.0515 14.0515 16.6147 16.6147 19.6081 19.6081 21.1316 21.1316 23.3629 23.3629 k =-0.2818 0.1906 0.0000 ( 1248 PWs) bands (ev): -12.1430 -12.1430 -7.3161 -7.3161 -1.3662 -1.3662 1.8429 1.8429 3.5653 3.5653 5.0909 5.0909 9.3693 9.3693 10.6123 10.6123 11.2204 11.2204 13.6680 13.6680 14.0016 14.0016 16.6376 16.6376 19.6638 19.6638 21.0720 21.0720 23.4638 23.4638 k =-0.2909 0.1967 0.0000 ( 1244 PWs) bands (ev): -12.1164 -12.1164 -7.3237 -7.3237 -1.4677 -1.4677 1.8265 1.8265 3.6012 3.6012 5.1190 5.1190 9.3862 9.3862 10.5985 10.5985 11.2120 11.2120 13.7545 13.7545 13.9511 13.9511 16.6633 16.6633 19.7191 19.7191 21.0140 21.0140 23.5678 23.5678 k =-0.3000 0.2029 0.0000 ( 1248 PWs) bands (ev): -12.0900 -12.0900 -7.3310 -7.3310 -1.5680 -1.5680 1.8096 1.8096 3.6401 3.6401 5.1475 5.1475 9.3969 9.3969 10.5855 10.5855 11.2034 11.2034 13.8370 13.8370 13.9031 13.9031 16.6923 16.6923 19.7726 19.7726 20.9574 20.9574 23.6724 23.6724 k =-0.3091 0.2090 0.0000 ( 1248 PWs) bands (ev): -12.0639 -12.0639 -7.3376 -7.3376 -1.6666 -1.6666 1.7925 1.7925 3.6814 3.6814 5.1764 5.1764 9.4015 9.4015 10.5734 10.5734 11.1947 11.1947 13.8410 13.8410 13.9316 13.9316 16.7249 16.7249 19.8230 19.8230 20.9019 20.9019 23.7548 23.7548 k =-0.3182 0.2152 0.0000 ( 1240 PWs) bands (ev): -12.0381 -12.0381 -7.3438 -7.3438 -1.7632 -1.7632 1.7752 1.7752 3.7248 3.7248 5.2057 5.2057 9.4005 9.4005 10.5621 10.5621 11.1860 11.1860 13.7907 13.7907 14.0128 14.0128 16.7615 16.7615 19.8693 19.8693 20.8476 20.8476 23.7503 23.7503 k =-0.3273 0.2213 0.0000 ( 1236 PWs) bands (ev): -12.0128 -12.0128 -7.3494 -7.3494 -1.8574 -1.8574 1.7580 1.7580 3.7696 3.7696 5.2352 5.2352 9.3940 9.3940 10.5517 10.5517 11.1773 11.1773 13.7385 13.7385 14.0938 14.0938 16.8021 16.8021 19.9106 19.9106 20.7940 20.7940 23.7209 23.7209 k =-0.3364 0.2275 0.0000 ( 1244 PWs) bands (ev): -11.9880 -11.9880 -7.3545 -7.3545 -1.9490 -1.9490 1.7408 1.7408 3.8155 3.8155 5.2648 5.2648 9.3826 9.3826 10.5423 10.5423 11.1686 11.1686 13.6863 13.6863 14.1730 14.1730 16.8468 16.8468 19.9459 19.9459 20.7408 20.7408 23.6896 23.6896 k =-0.3455 0.2336 0.0000 ( 1248 PWs) bands (ev): -11.9638 -11.9638 -7.3591 -7.3591 -2.0375 -2.0375 1.7238 1.7238 3.8620 3.8620 5.2945 5.2945 9.3667 9.3667 10.5338 10.5338 11.1602 11.1602 13.6345 13.6345 14.2498 14.2498 16.8954 16.8954 19.9749 19.9749 20.6879 20.6879 23.6588 23.6588 k =-0.3545 0.2398 0.0000 ( 1248 PWs) bands (ev): -11.9404 -11.9404 -7.3631 -7.3631 -2.1228 -2.1228 1.7072 1.7072 3.9086 3.9086 5.3242 5.3242 9.3468 9.3468 10.5264 10.5264 11.1519 11.1519 13.5834 13.5834 14.3239 14.3239 16.9479 16.9479 19.9974 19.9974 20.6351 20.6351 23.6293 23.6293 k =-0.3636 0.2459 0.0000 ( 1248 PWs) bands (ev): -11.9178 -11.9178 -7.3667 -7.3667 -2.2044 -2.2044 1.6911 1.6911 3.9549 3.9549 5.3536 5.3536 9.3234 9.3234 10.5200 10.5200 11.1439 11.1439 13.5335 13.5335 14.3950 14.3950 17.0040 17.0040 20.0133 20.0133 20.5823 20.5823 23.6012 23.6012 k =-0.3727 0.2521 0.0000 ( 1248 PWs) bands (ev): -11.8962 -11.8962 -7.3697 -7.3697 -2.2822 -2.2822 1.6756 1.6756 4.0005 4.0005 5.3828 5.3828 9.2972 9.2972 10.5145 10.5145 11.1361 11.1361 13.4849 13.4849 14.4629 14.4629 17.0632 17.0632 20.0225 20.0225 20.5296 20.5296 23.5746 23.5746 k =-0.3818 0.2582 0.0000 ( 1250 PWs) bands (ev): -11.8756 -11.8756 -7.3723 -7.3723 -2.3559 -2.3559 1.6608 1.6608 4.0448 4.0448 5.4115 5.4115 9.2687 9.2687 10.5099 10.5099 11.1288 11.1288 13.4381 13.4381 14.5272 14.5272 17.1252 17.1252 20.0250 20.0250 20.4775 20.4775 23.5496 23.5496 k =-0.3909 0.2644 0.0000 ( 1248 PWs) bands (ev): -11.8560 -11.8560 -7.3745 -7.3745 -2.4253 -2.4253 1.6467 1.6467 4.0877 4.0877 5.4395 5.4395 9.2386 9.2386 10.5062 10.5062 11.1218 11.1218 13.3932 13.3932 14.5878 14.5878 17.1895 17.1895 20.0208 20.0208 20.4268 20.4268 23.5264 23.5264 k =-0.4000 0.2705 0.0000 ( 1248 PWs) bands (ev): -11.8377 -11.8377 -7.3762 -7.3762 -2.4901 -2.4901 1.6335 1.6335 4.1286 4.1286 5.4667 5.4667 9.2075 9.2075 10.5034 10.5034 11.1152 11.1152 13.3506 13.3506 14.6443 14.6443 17.2553 17.2553 20.0095 20.0095 20.3785 20.3785 23.5048 23.5048 k =-0.4091 0.2767 0.0000 ( 1246 PWs) bands (ev): -11.8207 -11.8207 -7.3776 -7.3776 -2.5500 -2.5500 1.6212 1.6212 4.1671 4.1671 5.4929 5.4929 9.1762 9.1762 10.5012 10.5012 11.1091 11.1091 13.3105 13.3105 14.6968 14.6968 17.3220 17.3220 19.9910 19.9910 20.3340 20.3340 23.4850 23.4850 k =-0.4182 0.2828 0.0000 ( 1248 PWs) bands (ev): -11.8050 -11.8050 -7.3787 -7.3787 -2.6049 -2.6049 1.6099 1.6099 4.2030 4.2030 5.5178 5.5178 9.1452 9.1452 10.4997 10.4997 11.1035 11.1035 13.2733 13.2733 14.7448 14.7448 17.3886 17.3886 19.9650 19.9650 20.2949 20.2949 23.4670 23.4670 k =-0.4273 0.2890 0.0000 ( 1244 PWs) bands (ev): -11.7908 -11.7908 -7.3796 -7.3796 -2.6547 -2.6547 1.5996 1.5996 4.2360 4.2360 5.5411 5.5411 9.1153 9.1153 10.4987 10.4987 11.0985 11.0985 13.2392 13.2392 14.7882 14.7882 17.4541 17.4541 19.9323 19.9323 20.2619 20.2619 23.4509 23.4509 k =-0.4364 0.2951 0.0000 ( 1246 PWs) bands (ev): -11.7781 -11.7781 -7.3802 -7.3802 -2.6990 -2.6990 1.5904 1.5904 4.2657 4.2657 5.5626 5.5626 9.0871 9.0871 10.4981 10.4981 11.0939 11.0939 13.2084 13.2084 14.8269 14.8269 17.5175 17.5175 19.8943 19.8943 20.2351 20.2351 23.4366 23.4366 k =-0.4455 0.3013 0.0000 ( 1246 PWs) bands (ev): -11.7670 -11.7670 -7.3806 -7.3806 -2.7377 -2.7377 1.5824 1.5824 4.2920 4.2920 5.5820 5.5820 9.0612 9.0612 10.4979 10.4979 11.0900 11.0900 13.1812 13.1812 14.8608 14.8608 17.5772 17.5772 19.8534 19.8534 20.2140 20.2140 23.4241 23.4241 k =-0.4545 0.3074 0.0000 ( 1246 PWs) bands (ev): -11.7574 -11.7574 -7.3809 -7.3809 -2.7708 -2.7708 1.5755 1.5755 4.3146 4.3146 5.5990 5.5990 9.0382 9.0382 10.4979 10.4979 11.0866 11.0866 13.1578 13.1578 14.8896 14.8896 17.6319 17.6319 19.8124 19.8124 20.1977 20.1977 23.4136 23.4136 k =-0.4636 0.3136 0.0000 ( 1242 PWs) bands (ev): -11.7496 -11.7496 -7.3810 -7.3810 -2.7980 -2.7980 1.5699 1.5699 4.3333 4.3333 5.6133 5.6133 9.0186 9.0186 10.4980 10.4980 11.0838 11.0838 13.1384 13.1384 14.9134 14.9134 17.6799 17.6799 19.7740 19.7740 20.1854 20.1854 23.4049 23.4049 k =-0.4727 0.3197 0.0000 ( 1240 PWs) bands (ev): -11.7434 -11.7434 -7.3811 -7.3811 -2.8193 -2.8193 1.5654 1.5654 4.3480 4.3480 5.6248 5.6248 9.0028 9.0028 10.4982 10.4982 11.0817 11.0817 13.1231 13.1231 14.9320 14.9320 17.7196 17.7196 19.7410 19.7410 20.1763 20.1763 23.3982 23.3982 k =-0.4818 0.3259 0.0000 ( 1240 PWs) bands (ev): -11.7390 -11.7390 -7.3812 -7.3812 -2.8346 -2.8346 1.5623 1.5623 4.3585 4.3585 5.6331 5.6331 8.9913 8.9913 10.4984 10.4984 11.0801 11.0801 13.1121 13.1121 14.9453 14.9453 17.7494 17.7494 19.7156 19.7156 20.1701 20.1701 23.3933 23.3933 k =-0.4909 0.3320 0.0000 ( 1236 PWs) bands (ev): -11.7363 -11.7363 -7.3812 -7.3812 -2.8437 -2.8437 1.5604 1.5604 4.3649 4.3649 5.6382 5.6382 8.9843 8.9843 10.4985 10.4985 11.0792 11.0792 13.1055 13.1055 14.9533 14.9533 17.7678 17.7678 19.6996 19.6996 20.1665 20.1665 23.3904 23.3904 k =-0.5000 0.3382 0.0000 ( 1232 PWs) bands (ev): -11.7354 -11.7354 -7.3812 -7.3812 -2.8468 -2.8468 1.5597 1.5597 4.3670 4.3670 5.6399 5.6399 8.9819 8.9819 10.4986 10.4986 11.0788 11.0788 13.1033 13.1033 14.9560 14.9560 17.7741 17.7741 19.6942 19.6942 20.1653 20.1653 23.3895 23.3895 k =-0.5000 0.3382 0.0000 ( 1232 PWs) bands (ev): -11.7354 -11.7354 -7.3812 -7.3812 -2.8468 -2.8468 1.5597 1.5597 4.3670 4.3670 5.6399 5.6399 8.9819 8.9819 10.4986 10.4986 11.0788 11.0788 13.1033 13.1033 14.9560 14.9560 17.7741 17.7741 19.6942 19.6942 20.1653 20.1653 23.3895 23.3895 k =-0.4938 0.3473-0.0000 ( 1238 PWs) bands (ev): -11.7350 -11.7350 -7.3830 -7.3830 -2.8458 -2.8458 1.5623 1.5623 4.3670 4.3670 5.6401 5.6401 8.9810 8.9810 10.4969 10.4969 11.0763 11.0763 13.1039 13.1039 14.9556 14.9556 17.7755 17.7755 19.6947 19.6947 20.1684 20.1684 23.3934 23.3934 k =-0.4877 0.3564-0.0000 ( 1242 PWs) bands (ev): -11.7339 -11.7339 -7.3883 -7.3883 -2.8429 -2.8429 1.5701 1.5701 4.3670 4.3670 5.6407 5.6407 8.9782 8.9782 10.4921 10.4921 11.0685 11.0685 13.1057 13.1057 14.9544 14.9544 17.7797 17.7797 19.6965 19.6965 20.1778 20.1778 23.4050 23.4050 k =-0.4815 0.3655-0.0000 ( 1242 PWs) bands (ev): -11.7320 -11.7320 -7.3971 -7.3971 -2.8380 -2.8380 1.5829 1.5829 4.3669 4.3669 5.6417 5.6417 8.9735 8.9735 10.4842 10.4842 11.0558 11.0558 13.1087 13.1087 14.9525 14.9525 17.7867 17.7867 19.6996 19.6996 20.1933 20.1933 23.4244 23.4244 k =-0.4753 0.3746-0.0000 ( 1244 PWs) bands (ev): -11.7294 -11.7294 -7.4093 -7.4093 -2.8312 -2.8312 1.6008 1.6008 4.3667 4.3667 5.6432 5.6432 8.9669 8.9669 10.4731 10.4731 11.0381 11.0381 13.1129 13.1129 14.9499 14.9499 17.7964 17.7964 19.7038 19.7038 20.2148 20.2148 23.4514 23.4514 k =-0.4692 0.3837-0.0000 ( 1244 PWs) bands (ev): -11.7261 -11.7261 -7.4249 -7.4249 -2.8224 -2.8224 1.6236 1.6236 4.3666 4.3666 5.6450 5.6450 8.9584 8.9584 10.4591 10.4591 11.0157 11.0157 13.1183 13.1183 14.9465 14.9465 17.8088 17.8088 19.7093 19.7093 20.2421 20.2421 23.4859 23.4859 k =-0.4630 0.3929-0.0000 ( 1244 PWs) bands (ev): -11.7220 -11.7220 -7.4436 -7.4436 -2.8117 -2.8117 1.6511 1.6511 4.3664 4.3664 5.6472 5.6472 8.9480 8.9480 10.4421 10.4421 10.9887 10.9887 13.1249 13.1249 14.9423 14.9423 17.8239 17.8239 19.7158 19.7158 20.2751 20.2751 23.5278 23.5278 k =-0.4568 0.4020-0.0000 ( 1250 PWs) bands (ev): -11.7174 -11.7174 -7.4654 -7.4654 -2.7990 -2.7990 1.6831 1.6831 4.3663 4.3663 5.6498 5.6498 8.9356 8.9356 10.4225 10.4225 10.9575 10.9575 13.1326 13.1326 14.9374 14.9374 17.8414 17.8414 19.7234 19.7234 20.3135 20.3135 23.5769 23.5769 k =-0.4507 0.4111-0.0000 ( 1250 PWs) bands (ev): -11.7121 -11.7121 -7.4900 -7.4900 -2.7844 -2.7844 1.7196 1.7196 4.3662 4.3662 5.6528 5.6528 8.9212 8.9212 10.4002 10.4002 10.9223 10.9223 13.1415 13.1415 14.9318 14.9318 17.8613 17.8613 19.7320 19.7320 20.3569 20.3569 23.6331 23.6331 k =-0.4445 0.4202-0.0000 ( 1250 PWs) bands (ev): -11.7062 -11.7062 -7.5173 -7.5173 -2.7679 -2.7679 1.7601 1.7601 4.3661 4.3661 5.6561 5.6561 8.9048 8.9048 10.3756 10.3756 10.8835 10.8835 13.1516 13.1516 14.9255 14.9255 17.8835 17.8835 19.7416 19.7416 20.4051 20.4051 23.6961 23.6961 k =-0.4383 0.4293-0.0000 ( 1250 PWs) bands (ev): -11.6998 -11.6998 -7.5471 -7.5471 -2.7495 -2.7495 1.8045 1.8045 4.3661 4.3661 5.6597 5.6597 8.8864 8.8864 10.3487 10.3487 10.8414 10.8414 13.1628 13.1628 14.9185 14.9185 17.9079 17.9079 19.7520 19.7520 20.4578 20.4578 23.7657 23.7657 k =-0.4322 0.4384-0.0000 ( 1250 PWs) bands (ev): -11.6930 -11.6930 -7.5791 -7.5791 -2.7293 -2.7293 1.8524 1.8524 4.3662 4.3662 5.6636 5.6636 8.8658 8.8658 10.3199 10.3199 10.7964 10.7964 13.1752 13.1752 14.9109 14.9109 17.9343 17.9343 19.7632 19.7632 20.5144 20.5144 23.8416 23.8416 k =-0.4260 0.4476-0.0000 ( 1246 PWs) bands (ev): -11.6858 -11.6858 -7.6131 -7.6131 -2.7071 -2.7071 1.9035 1.9035 4.3665 4.3665 5.6679 5.6679 8.8432 8.8432 10.2893 10.2893 10.7489 10.7489 13.1886 13.1886 14.9025 14.9025 17.9626 17.9626 19.7751 19.7751 20.5747 20.5747 23.9235 23.9235 k =-0.4198 0.4567-0.0000 ( 1252 PWs) bands (ev): -11.6782 -11.6782 -7.6488 -7.6488 -2.6831 -2.6831 1.9575 1.9575 4.3671 4.3671 5.6723 5.6723 8.8184 8.8184 10.2572 10.2572 10.6993 10.6993 13.2031 13.2031 14.8935 14.8935 17.9927 17.9927 19.7875 19.7875 20.6381 20.6381 24.0111 24.0111 k =-0.4137 0.4658-0.0000 ( 1252 PWs) bands (ev): -11.6704 -11.6704 -7.6860 -7.6860 -2.6572 -2.6572 2.0140 2.0140 4.3679 4.3679 5.6770 5.6770 8.7914 8.7914 10.2238 10.2238 10.6480 10.6480 13.2187 13.2187 14.8838 14.8838 18.0242 18.0242 19.8004 19.8004 20.7044 20.7044 24.1039 24.1039 k =-0.4075 0.4749-0.0000 ( 1248 PWs) bands (ev): -11.6625 -11.6625 -7.7244 -7.7244 -2.6296 -2.6296 2.0726 2.0726 4.3690 4.3690 5.6818 5.6818 8.7622 8.7622 10.1894 10.1894 10.5955 10.5955 13.2354 13.2354 14.8734 14.8734 18.0572 18.0572 19.8136 19.8136 20.7730 20.7730 24.2014 24.2014 k =-0.4013 0.4840-0.0000 ( 1252 PWs) bands (ev): -11.6545 -11.6545 -7.7637 -7.7637 -2.6001 -2.6001 2.1329 2.1329 4.3706 4.3706 5.6867 5.6867 8.7308 8.7308 10.1542 10.1542 10.5421 10.5421 13.2531 13.2531 14.8621 14.8621 18.0912 18.0912 19.8270 19.8270 20.8436 20.8436 24.2774 24.2774 k =-0.3952 0.4931-0.0000 ( 1252 PWs) bands (ev): -11.6466 -11.6466 -7.8036 -7.8036 -2.5689 -2.5689 2.1946 2.1946 4.3728 4.3728 5.6917 5.6917 8.6971 8.6971 10.1185 10.1185 10.4882 10.4882 13.2717 13.2717 14.8502 14.8502 18.1262 18.1262 19.8404 19.8404 20.9158 20.9158 24.1256 24.1256 k =-0.3890 0.5023-0.0000 ( 1252 PWs) bands (ev): -11.6388 -11.6388 -7.8439 -7.8439 -2.5359 -2.5359 2.2570 2.2570 4.3756 4.3756 5.6967 5.6967 8.6613 8.6613 10.0826 10.0826 10.4344 10.4344 13.2914 13.2914 14.8375 14.8375 18.1618 18.1618 19.8538 19.8538 20.9892 20.9892 23.9653 23.9653 k =-0.3828 0.5114-0.0000 ( 1252 PWs) bands (ev): -11.6313 -11.6313 -7.8842 -7.8842 -2.5011 -2.5011 2.3199 2.3199 4.3792 4.3792 5.7016 5.7016 8.6233 8.6233 10.0467 10.0467 10.3809 10.3809 13.3120 13.3120 14.8240 14.8240 18.1978 18.1978 19.8670 19.8670 21.0634 21.0634 23.8069 23.8069 k =-0.3767 0.5205-0.0000 ( 1250 PWs) bands (ev): -11.6242 -11.6242 -7.9243 -7.9243 -2.4647 -2.4647 2.3827 2.3827 4.3836 4.3836 5.7064 5.7064 8.5831 8.5831 10.0111 10.0111 10.3281 10.3281 13.3335 13.3335 14.8096 14.8096 18.2339 18.2339 19.8798 19.8798 21.1383 21.1383 23.6511 23.6511 k =-0.3705 0.5296-0.0000 ( 1250 PWs) bands (ev): -11.6176 -11.6176 -7.9638 -7.9638 -2.4266 -2.4266 2.4449 2.4449 4.3891 4.3891 5.7110 5.7110 8.5408 8.5408 9.9761 9.9761 10.2764 10.2764 13.3559 13.3559 14.7942 14.7942 18.2698 18.2698 19.8920 19.8920 21.2134 21.2134 23.4982 23.4982 k =-0.3643 0.5387-0.0000 ( 1250 PWs) bands (ev): -11.6117 -11.6117 -8.0025 -8.0025 -2.3869 -2.3869 2.5061 2.5061 4.3957 4.3957 5.7153 5.7153 8.4966 8.4966 9.9419 9.9419 10.2262 10.2262 13.3791 13.3791 14.7778 14.7778 18.3050 18.3050 19.9034 19.9034 21.2887 21.2887 23.3486 23.3486 k =-0.3643 0.5387-0.0000 ( 1250 PWs) bands (ev): -11.6117 -11.6117 -8.0025 -8.0025 -2.3869 -2.3869 2.5061 2.5061 4.3957 4.3957 5.7153 5.7153 8.4966 8.4966 9.9419 9.9419 10.2262 10.2262 13.3791 13.3791 14.7778 14.7778 18.3050 18.3050 19.9034 19.9034 21.2887 21.2887 23.3486 23.3486 k =-0.3643 0.5387 0.0110 ( 1252 PWs) bands (ev): -11.6109 -11.6109 -8.0022 -8.0022 -2.3860 -2.3860 2.5052 2.5052 4.3941 4.3941 5.7094 5.7094 8.4988 8.4988 9.9255 9.9255 10.2423 10.2423 13.3779 13.3779 14.7786 14.7786 18.3118 18.3118 19.9026 19.9026 21.2900 21.2900 23.3497 23.3497 k =-0.3643 0.5387 0.0220 ( 1252 PWs) bands (ev): -11.6088 -11.6088 -8.0014 -8.0014 -2.3835 -2.3835 2.5024 2.5024 4.3892 4.3892 5.6918 5.6918 8.5053 8.5053 9.8844 9.8844 10.2827 10.2827 13.3744 13.3744 14.7809 14.7809 18.3324 18.3324 19.9001 19.9001 21.2942 21.2942 23.3530 23.3530 k =-0.3643 0.5387 0.0329 ( 1254 PWs) bands (ev): -11.6052 -11.6052 -8.0001 -8.0001 -2.3793 -2.3793 2.4977 2.4977 4.3811 4.3811 5.6630 5.6630 8.5157 8.5157 9.8306 9.8306 10.3352 10.3352 13.3686 13.3686 14.7848 14.7848 18.3666 18.3666 19.8959 19.8959 21.3012 21.3012 23.3586 23.3586 k =-0.3643 0.5387 0.0439 ( 1254 PWs) bands (ev): -11.6001 -11.6001 -7.9983 -7.9983 -2.3734 -2.3734 2.4910 2.4910 4.3697 4.3697 5.6236 5.6236 8.5299 8.5299 9.7712 9.7712 10.3928 10.3928 13.3608 13.3608 14.7900 14.7900 18.4144 18.4144 19.8900 19.8900 21.3108 21.3108 23.3664 23.3664 k =-0.3643 0.5387 0.0549 ( 1258 PWs) bands (ev): -11.5937 -11.5937 -7.9959 -7.9959 -2.3659 -2.3659 2.4824 2.4824 4.3549 4.3549 5.5744 5.5744 8.5472 8.5472 9.7092 9.7092 10.4521 10.4521 13.3509 13.3509 14.7964 14.7964 18.4755 18.4755 19.8824 19.8824 21.3232 21.3232 23.3763 23.3763 k =-0.3643 0.5387 0.0659 ( 1258 PWs) bands (ev): -11.5858 -11.5858 -7.9930 -7.9930 -2.3567 -2.3567 2.4717 2.4717 4.3368 4.3368 5.5164 5.5164 8.5671 8.5671 9.6466 9.6466 10.5114 10.5114 13.3394 13.3394 14.8038 14.8038 18.5497 18.5497 19.8730 19.8730 21.3383 21.3383 23.3885 23.3885 k =-0.3643 0.5387 0.0769 ( 1254 PWs) bands (ev): -11.5766 -11.5766 -7.9897 -7.9897 -2.3458 -2.3458 2.4588 2.4588 4.3152 4.3152 5.4507 5.4507 8.5891 8.5891 9.5841 9.5841 10.5696 10.5696 13.3264 13.3264 14.8121 14.8121 18.6368 18.6368 19.8617 19.8617 21.3561 21.3561 23.4028 23.4028 k =-0.3643 0.5387 0.0878 ( 1253 PWs) bands (ev): -11.5660 -11.5660 -7.9859 -7.9859 -2.3334 -2.3334 2.4438 2.4438 4.2900 4.2900 5.3784 5.3784 8.6125 8.6125 9.5226 9.5226 10.6259 10.6259 13.3123 13.3123 14.8210 14.8210 18.7365 18.7365 19.8485 19.8485 21.3764 21.3764 23.4192 23.4192 k =-0.3643 0.5387 0.0988 ( 1253 PWs) bands (ev): -11.5540 -11.5540 -7.9816 -7.9816 -2.3193 -2.3193 2.4265 2.4265 4.2612 4.2612 5.3008 5.3008 8.6369 8.6369 9.4624 9.4624 10.6797 10.6797 13.2972 13.2972 14.8303 14.8303 18.8483 18.8483 19.8335 19.8335 21.3992 21.3992 23.4378 23.4378 k =-0.3643 0.5387 0.1098 ( 1253 PWs) bands (ev): -11.5407 -11.5407 -7.9768 -7.9768 -2.3036 -2.3036 2.4067 2.4067 4.2286 4.2286 5.2189 5.2189 8.6616 8.6616 9.4040 9.4040 10.7306 10.7306 13.2814 13.2814 14.8397 14.8397 18.9720 18.9720 19.8165 19.8165 21.4246 21.4246 23.4583 23.4583 k =-0.3643 0.5387 0.1208 ( 1248 PWs) bands (ev): -11.5261 -11.5261 -7.9717 -7.9717 -2.2864 -2.2864 2.3844 2.3844 4.1921 4.1921 5.1341 5.1341 8.6862 8.6862 9.3478 9.3478 10.7782 10.7782 13.2654 13.2654 14.8491 14.8491 19.1071 19.1071 19.7975 19.7975 21.4523 21.4523 23.4807 23.4807 k =-0.3643 0.5387 0.1317 ( 1250 PWs) bands (ev): -11.5103 -11.5103 -7.9661 -7.9661 -2.2676 -2.2676 2.3594 2.3594 4.1516 4.1516 5.0474 5.0474 8.7102 8.7102 9.2943 9.2943 10.8222 10.8222 13.2493 13.2493 14.8581 14.8581 19.2531 19.2531 19.7767 19.7767 21.4824 21.4824 23.5051 23.5051 k =-0.3643 0.5387 0.1427 ( 1254 PWs) bands (ev): -11.4932 -11.4932 -7.9602 -7.9602 -2.2473 -2.2473 2.3315 2.3315 4.1069 4.1069 4.9599 4.9599 8.7330 8.7330 9.2439 9.2439 10.8623 10.8623 13.2333 13.2333 14.8666 14.8666 19.4092 19.4092 19.7540 19.7540 21.5147 21.5147 23.5311 23.5311 k =-0.3643 0.5387 0.1537 ( 1256 PWs) bands (ev): -11.4750 -11.4750 -7.9539 -7.9539 -2.2255 -2.2255 2.3006 2.3006 4.0581 4.0581 4.8727 4.8727 8.7539 8.7539 9.1972 9.1972 10.8982 10.8982 13.2179 13.2179 14.8744 14.8744 19.5741 19.5741 19.7305 19.7305 21.5493 21.5493 23.5588 23.5588 k =-0.3643 0.5387 0.1647 ( 1258 PWs) bands (ev): -11.4556 -11.4556 -7.9473 -7.9473 -2.2022 -2.2022 2.2666 2.2666 4.0051 4.0051 4.7865 4.7865 8.7722 8.7722 9.1551 9.1551 10.9297 10.9297 13.2031 13.2031 14.8814 14.8814 19.6931 19.6931 19.7601 19.7601 21.5860 21.5860 23.5879 23.5879 k =-0.3643 0.5387 0.1757 ( 1258 PWs) bands (ev): -11.4351 -11.4351 -7.9405 -7.9405 -2.1775 -2.1775 2.2293 2.2293 3.9481 3.9481 4.7022 4.7022 8.7869 8.7869 9.1185 9.1185 10.9567 10.9567 13.1893 13.1893 14.8873 14.8873 19.6699 19.6699 19.9386 19.9386 21.6250 21.6250 23.6182 23.6182 k =-0.3643 0.5387 0.1866 ( 1256 PWs) bands (ev): -11.4136 -11.4136 -7.9333 -7.9333 -2.1514 -2.1514 2.1886 2.1886 3.8873 3.8873 4.6204 4.6204 8.7967 8.7967 9.0889 9.0889 10.9792 10.9792 13.1766 13.1766 14.8919 14.8919 19.6399 19.6399 20.1301 20.1301 21.6661 21.6661 23.6496 23.6496 k =-0.3643 0.5387 0.1976 ( 1256 PWs) bands (ev): -11.3911 -11.3911 -7.9259 -7.9259 -2.1240 -2.1240 2.1443 2.1443 3.8232 3.8232 4.5412 4.5412 8.8004 8.8004 9.0674 9.0674 10.9969 10.9969 13.1652 13.1652 14.8952 14.8952 19.6077 19.6077 20.3289 20.3289 21.7096 21.7096 23.6818 23.6818 k =-0.3643 0.5387 0.2086 ( 1258 PWs) bands (ev): -11.3676 -11.3676 -7.9184 -7.9184 -2.0953 -2.0953 2.0964 2.0964 3.7563 3.7563 4.4650 4.4650 8.7973 8.7973 9.0549 9.0549 11.0099 11.0099 13.1552 13.1552 14.8971 14.8971 19.5737 19.5737 20.5338 20.5338 21.7556 21.7556 23.7144 23.7144 k =-0.3643 0.5387 0.2196 ( 1260 PWs) bands (ev): -11.3433 -11.3433 -7.9106 -7.9106 -2.0654 -2.0654 2.0448 2.0448 3.6872 3.6872 4.3916 4.3916 8.7881 8.7881 9.0507 9.0507 11.0181 11.0181 13.1469 13.1469 14.8973 14.8973 19.5383 19.5383 20.7434 20.7434 21.8047 21.8047 23.7472 23.7472 k =-0.3643 0.5387 0.2306 ( 1263 PWs) bands (ev): -11.3182 -11.3182 -7.9028 -7.9028 -2.0343 -2.0343 1.9895 1.9895 3.6168 3.6168 4.3210 4.3210 8.7744 8.7744 9.0534 9.0534 11.0216 11.0216 13.1403 13.1403 14.8958 14.8958 19.5016 19.5016 20.9557 20.9557 21.8578 21.8578 23.7797 23.7797 k =-0.3643 0.5387 0.2415 ( 1263 PWs) bands (ev): -11.2924 -11.2924 -7.8948 -7.8948 -2.0020 -2.0020 1.9306 1.9306 3.5457 3.5457 4.2528 4.2528 8.7584 8.7584 9.0609 9.0609 11.0204 11.0204 13.1357 13.1357 14.8925 14.8925 19.4637 19.4637 21.1679 21.1679 21.9169 21.9169 23.8114 23.8114 k =-0.3643 0.5387 0.2525 ( 1263 PWs) bands (ev): -11.2659 -11.2659 -7.8868 -7.8868 -1.9687 -1.9687 1.8682 1.8682 3.4746 3.4746 4.1869 4.1869 8.7417 8.7417 9.0715 9.0715 11.0147 11.0147 13.1330 13.1330 14.8873 14.8873 19.4249 19.4249 21.3750 21.3750 21.9857 21.9857 23.8418 23.8418 k =-0.3643 0.5387 0.2635 ( 1263 PWs) bands (ev): -11.2388 -11.2388 -7.8788 -7.8788 -1.9344 -1.9344 1.8025 1.8025 3.4042 3.4042 4.1229 4.1229 8.7257 8.7257 9.0841 9.0841 11.0045 11.0045 13.1323 13.1323 14.8802 14.8802 19.3853 19.3853 21.5682 21.5682 22.0718 22.0718 23.8699 23.8699 k =-0.3643 0.5387 0.2745 ( 1261 PWs) bands (ev): -11.2112 -11.2112 -7.8708 -7.8708 -1.8992 -1.8992 1.7338 1.7338 3.3349 3.3349 4.0606 4.0606 8.7114 8.7114 9.0976 9.0976 10.9899 10.9899 13.1338 13.1338 14.8711 14.8711 19.3452 19.3452 21.7341 21.7341 22.1873 22.1873 23.8947 23.8947 k =-0.3643 0.5387 0.2855 ( 1258 PWs) bands (ev): -11.1832 -11.1832 -7.8629 -7.8629 -1.8632 -1.8632 1.6624 1.6624 3.2672 3.2672 3.9999 3.9999 8.6992 8.6992 9.1117 9.1117 10.9712 10.9712 13.1375 13.1375 14.8599 14.8599 19.3049 19.3049 21.8625 21.8625 22.3407 22.3407 23.9147 23.9147 k =-0.3643 0.5387 0.2964 ( 1258 PWs) bands (ev): -11.1549 -11.1549 -7.8550 -7.8550 -1.8264 -1.8264 1.5888 1.5888 3.2013 3.2013 3.9405 3.9405 8.6895 8.6895 9.1261 9.1261 10.9484 10.9484 13.1434 13.1434 14.8465 14.8465 19.2644 19.2644 21.9581 21.9581 22.5249 22.5249 23.9299 23.9299 k =-0.3643 0.5387 0.3074 ( 1258 PWs) bands (ev): -11.1264 -11.1264 -7.8473 -7.8473 -1.7890 -1.7890 1.5133 1.5133 3.1373 3.1373 3.8824 3.8824 8.6825 8.6825 9.1404 9.1404 10.9218 10.9218 13.1516 13.1516 14.8311 14.8311 19.2240 19.2240 22.0336 22.0336 22.7243 22.7243 23.9429 23.9429 k =-0.3643 0.5387 0.3184 ( 1256 PWs) bands (ev): -11.0978 -11.0978 -7.8397 -7.8397 -1.7510 -1.7510 1.4364 1.4364 3.0755 3.0755 3.8256 3.8256 8.6785 8.6785 9.1546 9.1546 10.8915 10.8915 13.1620 13.1620 14.8135 14.8135 19.1840 19.1840 22.0983 22.0983 22.9255 22.9255 23.9590 23.9590 k =-0.3643 0.5387 0.3294 ( 1254 PWs) bands (ev): -11.0691 -11.0691 -7.8323 -7.8323 -1.7126 -1.7126 1.3587 1.3587 3.0157 3.0157 3.7701 3.7701 8.6775 8.6775 9.1685 9.1685 10.8579 10.8579 13.1746 13.1746 14.7938 14.7938 19.1444 19.1444 22.1570 22.1570 23.1172 23.1172 23.9834 23.9834 k =-0.3643 0.5387 0.3403 ( 1254 PWs) bands (ev): -11.0406 -11.0406 -7.8252 -7.8252 -1.6739 -1.6739 1.2807 1.2807 2.9581 2.9581 3.7159 3.7159 8.6795 8.6795 9.1822 9.1822 10.8210 10.8210 13.1896 13.1896 14.7719 14.7719 19.1055 19.1055 22.2122 22.2122 23.2880 23.2880 24.0182 24.0183 k =-0.3643 0.5387 0.3513 ( 1254 PWs) bands (ev): -11.0122 -11.0122 -7.8183 -7.8183 -1.6349 -1.6349 1.2027 1.2027 2.9026 2.9026 3.6631 3.6631 8.6845 8.6845 9.1955 9.1955 10.7812 10.7812 13.2068 13.2068 14.7479 14.7479 19.0675 19.0675 22.2652 22.2652 23.4262 23.4262 24.0546 24.0546 k =-0.3643 0.5387 0.3623 ( 1260 PWs) bands (ev): -10.9842 -10.9842 -7.8116 -7.8116 -1.5960 -1.5960 1.1254 1.1254 2.8491 2.8491 3.6117 3.6117 8.6924 8.6924 9.2085 9.2085 10.7387 10.7387 13.2262 13.2262 14.7218 14.7218 19.0305 19.0305 22.3166 22.3166 23.5254 23.5254 24.0797 24.0797 k =-0.3643 0.5387 0.3733 ( 1254 PWs) bands (ev): -10.9566 -10.9566 -7.8053 -7.8053 -1.5571 -1.5571 1.0493 1.0493 2.7977 2.7977 3.5620 3.5620 8.7032 8.7032 9.2212 9.2212 10.6937 10.6937 13.2477 13.2477 14.6937 14.6937 18.9948 18.9948 22.3669 22.3669 23.5897 23.5897 24.0964 24.0964 k =-0.3643 0.5387 0.3843 ( 1252 PWs) bands (ev): -10.9295 -10.9295 -7.7992 -7.7992 -1.5185 -1.5185 0.9746 0.9746 2.7482 2.7482 3.5139 3.5139 8.7167 8.7167 9.2336 9.2336 10.6466 10.6466 13.2714 13.2714 14.6636 14.6636 18.9604 18.9604 22.4161 22.4161 23.6293 23.6293 24.1089 24.1089 k =-0.3643 0.5387 0.3952 ( 1251 PWs) bands (ev): -10.9031 -10.9031 -7.7935 -7.7935 -1.4803 -1.4803 0.9019 0.9019 2.7008 2.7008 3.4677 3.4677 8.7329 8.7329 9.2457 9.2457 10.5975 10.5975 13.2972 13.2972 14.6316 14.6316 18.9275 18.9275 22.4644 22.4644 23.6534 23.6534 24.1189 24.1189 k =-0.3643 0.5387 0.4062 ( 1251 PWs) bands (ev): -10.8775 -10.8775 -7.7882 -7.7882 -1.4427 -1.4427 0.8316 0.8316 2.6553 2.6553 3.4235 3.4235 8.7514 8.7514 9.2577 9.2577 10.5467 10.5467 13.3250 13.3250 14.5977 14.5977 18.8961 18.8961 22.5119 22.5119 23.6680 23.6680 24.1272 24.1272 k =-0.3643 0.5387 0.4172 ( 1247 PWs) bands (ev): -10.8529 -10.8529 -7.7832 -7.7832 -1.4059 -1.4059 0.7641 0.7641 2.6119 2.6119 3.3814 3.3814 8.7721 8.7721 9.2694 9.2694 10.4947 10.4947 13.3547 13.3547 14.5621 14.5621 18.8665 18.8665 22.5584 22.5584 23.6764 23.6764 24.1342 24.1342 k =-0.3643 0.5387 0.4282 ( 1247 PWs) bands (ev): -10.8292 -10.8292 -7.7786 -7.7786 -1.3701 -1.3701 0.6995 0.6995 2.5706 2.5706 3.3415 3.3415 8.7948 8.7948 9.2811 9.2811 10.4416 10.4416 13.3862 13.3862 14.5249 14.5249 18.8386 18.8386 22.6039 22.6039 23.6805 23.6805 24.1402 24.1402 k =-0.3643 0.5387 0.4392 ( 1247 PWs) bands (ev): -10.8068 -10.8068 -7.7743 -7.7743 -1.3356 -1.3356 0.6384 0.6384 2.5315 2.5315 3.3041 3.3041 8.8190 8.8190 9.2929 9.2929 10.3878 10.3878 13.4195 13.4195 14.4862 14.4862 18.8126 18.8126 22.6482 22.6482 23.6816 23.6816 24.1453 24.1453 k =-0.3643 0.5387 0.4501 ( 1253 PWs) bands (ev): -10.7856 -10.7856 -7.7704 -7.7704 -1.3024 -1.3024 0.5810 0.5810 2.4947 2.4947 3.2692 3.2692 8.8445 8.8445 9.3047 9.3047 10.3336 10.3336 13.4544 13.4544 14.4461 14.4461 18.7884 18.7884 22.6912 22.6912 23.6802 23.6802 24.1496 24.1496 k =-0.3643 0.5387 0.4611 ( 1259 PWs) bands (ev): -10.7658 -10.7658 -7.7669 -7.7669 -1.2710 -1.2710 0.5275 0.5275 2.4603 2.4603 3.2369 3.2369 8.8708 8.8708 9.3169 9.3169 10.2795 10.2795 13.4909 13.4909 14.4048 14.4048 18.7663 18.7663 22.7326 22.7326 23.6768 23.6768 24.1533 24.1533 k =-0.3643 0.5387 0.4721 ( 1257 PWs) bands (ev): -10.7475 -10.7475 -7.7637 -7.7637 -1.2415 -1.2415 0.4782 0.4782 2.4285 2.4285 3.2074 3.2074 8.8973 8.8973 9.3295 9.3295 10.2259 10.2259 13.5288 13.5288 14.3624 14.3624 18.7461 18.7461 22.7723 22.7723 23.6718 23.6718 24.1566 24.1566 k =-0.3643 0.5387 0.4831 ( 1260 PWs) bands (ev): -10.7309 -10.7309 -7.7609 -7.7609 -1.2141 -1.2141 0.4333 0.4333 2.3994 2.3994 3.1807 3.1807 8.9236 8.9236 9.3427 9.3427 10.1733 10.1733 13.5679 13.5679 14.3192 14.3192 18.7280 18.7280 22.8098 22.8098 23.6656 23.6656 24.1593 24.1593 k =-0.3643 0.5387 0.4941 ( 1260 PWs) bands (ev): -10.7159 -10.7159 -7.7585 -7.7585 -1.1892 -1.1892 0.3931 0.3931 2.3733 2.3733 3.1570 3.1570 8.9490 8.9490 9.3567 9.3567 10.1223 10.1223 13.6080 13.6080 14.2753 14.2753 18.7120 18.7120 22.8448 22.8448 23.6585 23.6585 24.1617 24.1617 k =-0.3643 0.5387 0.5050 ( 1258 PWs) bands (ev): -10.7027 -10.7027 -7.7564 -7.7564 -1.1670 -1.1670 0.3578 0.3578 2.3502 2.3502 3.1363 3.1363 8.9728 8.9728 9.3713 9.3713 10.0737 10.0737 13.6490 13.6490 14.2311 14.2311 18.6982 18.6982 22.8767 22.8767 23.6508 23.6508 24.1637 24.1637 k =-0.3643 0.5387 0.5160 ( 1258 PWs) bands (ev): -10.6915 -10.6915 -7.7546 -7.7546 -1.1476 -1.1476 0.3275 0.3275 2.3303 2.3303 3.1186 3.1186 8.9943 8.9943 9.3864 9.3864 10.0283 10.0283 13.6904 13.6904 14.1868 14.1868 18.6864 18.6864 22.9052 22.9052 23.6431 23.6431 24.1653 24.1653 k =-0.3643 0.5387 0.5270 ( 1260 PWs) bands (ev): -10.6821 -10.6821 -7.7532 -7.7532 -1.1315 -1.1315 0.3025 0.3025 2.3138 2.3138 3.1041 3.1041 9.0127 9.0127 9.4015 9.4015 9.9875 9.9875 13.7317 13.7317 14.1431 14.1431 18.6767 18.6767 22.9296 22.9296 23.6357 23.6357 24.1666 24.1666 k =-0.3643 0.5387 0.5380 ( 1262 PWs) bands (ev): -10.6748 -10.6748 -7.7521 -7.7521 -1.1187 -1.1187 0.2829 0.2829 2.3009 2.3009 3.0928 3.0928 9.0277 9.0277 9.4158 9.4158 9.9526 9.9526 13.7720 13.7720 14.1010 14.1010 18.6692 18.6692 22.9494 22.9494 23.6293 23.6293 24.1676 24.1676 k =-0.3643 0.5387 0.5489 ( 1266 PWs) bands (ev): -10.6696 -10.6696 -7.7513 -7.7513 -1.1094 -1.1094 0.2688 0.2688 2.2915 2.2915 3.0847 3.0847 9.0386 9.0386 9.4278 9.4278 9.9255 9.9255 13.8092 13.8092 14.0624 14.0624 18.6638 18.6638 22.9641 22.9641 23.6242 23.6242 24.1683 24.1683 k =-0.3643 0.5387 0.5599 ( 1266 PWs) bands (ev): -10.6664 -10.6664 -7.7508 -7.7508 -1.1037 -1.1037 0.2603 0.2603 2.2859 2.2859 3.0798 3.0798 9.0453 9.0453 9.4359 9.4359 9.9082 9.9082 13.8387 13.8387 14.0321 14.0321 18.6606 18.6606 22.9731 22.9731 23.6210 23.6210 24.1687 24.1687 k =-0.3643 0.5387 0.5709 ( 1272 PWs) bands (ev): -10.6653 -10.6653 -7.7507 -7.7507 -1.1019 -1.1019 0.2574 0.2574 2.2840 2.2840 3.0782 3.0782 9.0476 9.0476 9.4388 9.4388 9.9023 9.9023 13.8509 13.8509 14.0196 14.0196 18.6595 18.6595 22.9761 22.9761 23.6198 23.6198 24.1688 24.1688 k =-0.3643 0.5387 0.5709 ( 1272 PWs) bands (ev): -10.6653 -10.6653 -7.7507 -7.7507 -1.1019 -1.1019 0.2574 0.2574 2.2840 2.2840 3.0782 3.0782 9.0476 9.0476 9.4388 9.4388 9.9023 9.9023 13.8509 13.8509 14.0196 14.0196 18.6595 18.6595 22.9761 22.9761 23.6198 23.6198 24.1688 24.1688 k =-0.3705 0.5296 0.5709 ( 1264 PWs) bands (ev): -10.6620 -10.6620 -7.7475 -7.7475 -1.1281 -1.1281 0.2947 0.2947 2.2960 2.2960 3.0916 3.0916 8.9556 8.9556 9.4260 9.4260 9.7900 9.7900 13.8925 13.8925 14.0946 14.0946 18.6183 18.6183 23.1195 23.1195 23.6282 23.6282 24.1302 24.1302 k =-0.3767 0.5205 0.5709 ( 1260 PWs) bands (ev): -10.6590 -10.6590 -7.7449 -7.7449 -1.1534 -1.1534 0.3329 0.3329 2.3056 2.3056 3.1117 3.1117 8.8488 8.8488 9.4253 9.4253 9.6794 9.6794 13.9333 13.9333 14.1698 14.1698 18.5748 18.5748 23.2618 23.2618 23.6349 23.6349 24.0927 24.0927 k =-0.3828 0.5114 0.5709 ( 1260 PWs) bands (ev): -10.6563 -10.6563 -7.7427 -7.7427 -1.1776 -1.1776 0.3718 0.3718 2.3132 2.3132 3.1380 3.1380 8.7350 8.7350 9.4225 9.4225 9.5777 9.5777 13.9733 13.9733 14.2449 14.2449 18.5294 18.5294 23.4016 23.4016 23.6413 23.6413 24.0563 24.0563 k =-0.3890 0.5023 0.5709 ( 1260 PWs) bands (ev): -10.6539 -10.6539 -7.7409 -7.7409 -1.2006 -1.2006 0.4111 0.4111 2.3187 2.3187 3.1701 3.1701 8.6185 8.6185 9.3844 9.3844 9.5147 9.5147 14.0122 14.0122 14.3198 14.3198 18.4821 18.4821 23.5324 23.5324 23.6534 23.6534 24.0214 24.0214 k =-0.3952 0.4931 0.5709 ( 1260 PWs) bands (ev): -10.6518 -10.6518 -7.7395 -7.7395 -1.2226 -1.2226 0.4504 0.4504 2.3227 2.3227 3.2075 3.2075 8.5017 8.5017 9.2936 9.2936 9.5064 9.5064 14.0500 14.0500 14.3942 14.3942 18.4334 18.4334 23.6119 23.6119 23.7129 23.7129 23.9886 23.9886 k =-0.4013 0.4840 0.5709 ( 1256 PWs) bands (ev): -10.6498 -10.6498 -7.7384 -7.7384 -1.2434 -1.2434 0.4895 0.4895 2.3256 2.3256 3.2493 3.2493 8.3861 8.3861 9.1863 9.1863 9.5164 9.5164 14.0864 14.0864 14.4680 14.4680 18.3835 18.3835 23.6269 23.6269 23.8302 23.8302 23.9603 23.9603 k =-0.4075 0.4749 0.5709 ( 1260 PWs) bands (ev): -10.6482 -10.6482 -7.7376 -7.7376 -1.2631 -1.2631 0.5280 0.5280 2.3276 2.3276 3.2947 3.2947 8.2728 8.2728 9.0761 9.0761 9.5308 9.5308 14.1215 14.1215 14.5407 14.5407 18.3327 18.3327 23.6301 23.6301 23.9065 23.9065 23.9822 23.9822 k =-0.4137 0.4658 0.5709 ( 1260 PWs) bands (ev): -10.6467 -10.6467 -7.7371 -7.7371 -1.2816 -1.2816 0.5655 0.5655 2.3293 2.3293 3.3431 3.3431 8.1626 8.1626 8.9667 8.9667 9.5464 9.5464 14.1549 14.1549 14.6122 14.6122 18.2815 18.2815 23.6309 23.6309 23.8881 23.8881 24.0986 24.0986 k =-0.4198 0.4567 0.5709 ( 1260 PWs) bands (ev): -10.6454 -10.6454 -7.7368 -7.7368 -1.2989 -1.2989 0.6019 0.6019 2.3309 2.3309 3.3934 3.3934 8.0564 8.0564 8.8594 8.8594 9.5620 9.5620 14.1866 14.1866 14.6821 14.6821 18.2302 18.2302 23.6306 23.6306 23.8624 23.8624 24.2197 24.2197 k =-0.4260 0.4476 0.5709 ( 1256 PWs) bands (ev): -10.6443 -10.6443 -7.7367 -7.7367 -1.3150 -1.3150 0.6367 0.6367 2.3326 2.3326 3.4450 3.4450 7.9546 7.9546 8.7553 8.7553 9.5772 9.5772 14.2166 14.2166 14.7499 14.7499 18.1793 18.1793 23.6298 23.6298 23.8375 23.8375 24.3369 24.3369 k =-0.4322 0.4384 0.5709 ( 1256 PWs) bands (ev): -10.6433 -10.6433 -7.7367 -7.7367 -1.3299 -1.3299 0.6697 0.6697 2.3347 2.3347 3.4969 3.4969 7.8580 7.8580 8.6553 8.6553 9.5916 9.5916 14.2446 14.2446 14.8153 14.8153 18.1291 18.1291 23.6288 23.6288 23.8141 23.8141 24.4484 24.4484 k =-0.4383 0.4293 0.5709 ( 1256 PWs) bands (ev): -10.6425 -10.6425 -7.7368 -7.7368 -1.3435 -1.3435 0.7006 0.7006 2.3371 2.3371 3.5484 3.5484 7.7672 7.7672 8.5601 8.5601 9.6052 9.6052 14.2706 14.2706 14.8778 14.8778 18.0803 18.0803 23.6277 23.6277 23.7925 23.7925 24.5533 24.5533 k =-0.4445 0.4202 0.5709 ( 1256 PWs) bands (ev): -10.6418 -10.6418 -7.7371 -7.7371 -1.3559 -1.3559 0.7292 0.7292 2.3400 2.3400 3.5986 3.5986 7.6828 7.6828 8.4706 8.4706 9.6177 9.6177 14.2944 14.2944 14.9370 14.9370 18.0334 18.0334 23.6265 23.6265 23.7728 23.7728 24.6508 24.6508 k =-0.4507 0.4111 0.5709 ( 1248 PWs) bands (ev): -10.6412 -10.6412 -7.7373 -7.7373 -1.3669 -1.3669 0.7553 0.7553 2.3432 2.3432 3.6466 3.6466 7.6053 7.6053 8.3876 8.3876 9.6290 9.6290 14.3159 14.3159 14.9923 14.9923 17.9890 17.9890 23.6254 23.6254 23.7550 23.7550 24.7403 24.7403 k =-0.4568 0.4020 0.5709 ( 1244 PWs) bands (ev): -10.6407 -10.6407 -7.7376 -7.7376 -1.3767 -1.3767 0.7786 0.7786 2.3467 2.3467 3.6917 3.6917 7.5352 7.5352 8.3119 8.3119 9.6392 9.6392 14.3352 14.3352 15.0430 15.0430 17.9477 17.9477 23.6243 23.6243 23.7393 23.7393 24.8210 24.8210 k =-0.4630 0.3929 0.5709 ( 1244 PWs) bands (ev): -10.6403 -10.6403 -7.7380 -7.7380 -1.3853 -1.3853 0.7990 0.7990 2.3503 2.3503 3.7329 3.7329 7.4732 7.4732 8.2443 8.2443 9.6481 9.6481 14.3520 14.3520 15.0887 15.0887 17.9102 17.9102 23.6233 23.6233 23.7257 23.7257 24.8924 24.8924 k =-0.4692 0.3837 0.5709 ( 1244 PWs) bands (ev): -10.6400 -10.6400 -7.7383 -7.7383 -1.3925 -1.3925 0.8165 0.8165 2.3538 2.3538 3.7694 3.7694 7.4198 7.4198 8.1856 8.1856 9.6557 9.6557 14.3664 14.3664 15.1286 15.1286 17.8770 17.8770 23.6224 23.6224 23.7141 23.7141 24.9538 24.9538 k =-0.4753 0.3746 0.5709 ( 1244 PWs) bands (ev): -10.6397 -10.6397 -7.7385 -7.7385 -1.3984 -1.3984 0.8309 0.8309 2.3570 2.3570 3.8005 3.8005 7.3753 7.3753 8.1364 8.1364 9.6620 9.6620 14.3783 14.3783 15.1623 15.1623 17.8488 17.8488 23.6216 23.6216 23.7046 23.7046 25.0048 25.0048 k =-0.4815 0.3655 0.5709 ( 1244 PWs) bands (ev): -10.6395 -10.6395 -7.7388 -7.7388 -1.4030 -1.4030 0.8421 0.8421 2.3597 2.3597 3.8255 3.8255 7.3402 7.3402 8.0974 8.0974 9.6669 9.6669 14.3875 14.3875 15.1891 15.1891 17.8262 17.8262 23.6210 23.6210 23.6972 23.6972 25.0450 25.0450 k =-0.4877 0.3564 0.5709 ( 1240 PWs) bands (ev): -10.6394 -10.6394 -7.7389 -7.7389 -1.4063 -1.4063 0.8502 0.8502 2.3618 2.3618 3.8438 3.8438 7.3149 7.3149 8.0692 8.0692 9.6704 9.6704 14.3942 14.3942 15.2087 15.2087 17.8097 17.8097 23.6205 23.6205 23.6920 23.6920 25.0740 25.0740 k =-0.4938 0.3473 0.5709 ( 1240 PWs) bands (ev): -10.6393 -10.6393 -7.7390 -7.7390 -1.4083 -1.4083 0.8550 0.8550 2.3631 2.3631 3.8550 3.8550 7.2996 7.2996 8.0520 8.0520 9.6725 9.6725 14.3982 14.3982 15.2206 15.2206 17.7996 17.7996 23.6202 23.6202 23.6888 23.6888 25.0915 25.0915 k =-0.5000 0.3382 0.5709 ( 1236 PWs) bands (ev): -10.6393 -10.6393 -7.7391 -7.7391 -1.4090 -1.4090 0.8566 0.8566 2.3635 2.3635 3.8588 3.8588 7.2945 7.2945 8.0463 8.0463 9.6732 9.6732 14.3995 14.3995 15.2246 15.2246 17.7962 17.7962 23.6202 23.6202 23.6878 23.6878 25.0973 25.0973 k =-0.5000 0.3382 0.5709 ( 1236 PWs) bands (ev): -10.6393 -10.6393 -7.7391 -7.7391 -1.4090 -1.4090 0.8566 0.8566 2.3635 2.3635 3.8588 3.8588 7.2945 7.2945 8.0463 8.0463 9.6732 9.6732 14.3995 14.3995 15.2246 15.2246 17.7962 17.7962 23.6202 23.6202 23.6878 23.6878 25.0973 25.0973 k =-0.5000 0.3382 0.5599 ( 1236 PWs) bands (ev): -10.6407 -10.6407 -7.7384 -7.7384 -1.4112 -1.4112 0.8591 0.8591 2.3662 2.3662 3.8561 3.8561 7.2990 7.2990 8.0481 8.0481 9.6730 9.6730 14.3975 14.3975 15.2243 15.2243 17.7990 17.7990 23.6158 23.6158 23.6883 23.6883 25.0954 25.0954 k =-0.5000 0.3382 0.5489 ( 1240 PWs) bands (ev): -10.6447 -10.6447 -7.7364 -7.7364 -1.4177 -1.4177 0.8666 0.8666 2.3744 2.3744 3.8483 3.8483 7.3125 7.3125 8.0535 8.0535 9.6722 9.6722 14.3915 14.3915 15.2236 15.2236 17.8074 17.8074 23.6028 23.6028 23.6900 23.6900 25.0897 25.0897 k =-0.5000 0.3382 0.5380 ( 1240 PWs) bands (ev): -10.6514 -10.6514 -7.7330 -7.7330 -1.4286 -1.4286 0.8789 0.8789 2.3879 2.3879 3.8354 3.8354 7.3347 7.3347 8.0624 8.0624 9.6709 9.6709 14.3816 14.3816 15.2223 15.2223 17.8212 17.8212 23.5810 23.5810 23.6930 23.6930 25.0803 25.0803 k =-0.5000 0.3382 0.5270 ( 1244 PWs) bands (ev): -10.6606 -10.6606 -7.7284 -7.7284 -1.4436 -1.4436 0.8959 0.8959 2.4067 2.4067 3.8177 3.8177 7.3654 7.3654 8.0748 8.0748 9.6690 9.6690 14.3679 14.3679 15.2205 15.2205 17.8403 17.8403 23.5504 23.5504 23.6973 23.6973 25.0673 25.0673 k =-0.5000 0.3382 0.5160 ( 1244 PWs) bands (ev): -10.6724 -10.6724 -7.7226 -7.7226 -1.4625 -1.4625 0.9176 0.9176 2.4305 2.4305 3.7957 3.7957 7.4043 7.4043 8.0908 8.0908 9.6666 9.6666 14.3507 14.3507 15.2182 15.2182 17.8646 17.8646 23.5112 23.5112 23.7030 23.7030 25.0507 25.0507 k =-0.5000 0.3382 0.5050 ( 1244 PWs) bands (ev): -10.6866 -10.6866 -7.7156 -7.7156 -1.4850 -1.4850 0.9437 0.9437 2.4593 2.4593 3.7698 3.7698 7.4509 7.4509 8.1102 8.1102 9.6637 9.6637 14.3301 14.3301 15.2155 15.2155 17.8937 17.8937 23.4634 23.4634 23.7102 23.7102 25.0306 25.0306 k =-0.5000 0.3382 0.4941 ( 1240 PWs) bands (ev): -10.7031 -10.7031 -7.7076 -7.7076 -1.5110 -1.5110 0.9740 0.9740 2.4929 2.4929 3.7406 3.7406 7.5048 7.5048 8.1332 8.1332 9.6603 9.6603 14.3063 14.3063 15.2122 15.2122 17.9274 17.9274 23.4073 23.4073 23.7188 23.7188 25.0072 25.0072 k =-0.5000 0.3382 0.4831 ( 1248 PWs) bands (ev): -10.7218 -10.7218 -7.6986 -7.6986 -1.5400 -1.5400 1.0082 1.0082 2.5308 2.5308 3.7086 3.7086 7.5654 7.5654 8.1595 8.1595 9.6563 9.6563 14.2796 14.2796 15.2085 15.2085 17.9653 17.9653 23.3429 23.3429 23.7289 23.7289 24.9806 24.9806 k =-0.5000 0.3382 0.4721 ( 1252 PWs) bands (ev): -10.7426 -10.7426 -7.6888 -7.6888 -1.5718 -1.5718 1.0460 1.0460 2.5730 2.5730 3.6745 3.6745 7.6321 7.6321 8.1892 8.1892 9.6519 9.6519 14.2504 14.2504 15.2043 15.2043 18.0070 18.0070 23.2705 23.2705 23.7405 23.7405 24.9511 24.9511 k =-0.5000 0.3382 0.4611 ( 1256 PWs) bands (ev): -10.7652 -10.7652 -7.6783 -7.6783 -1.6060 -1.6060 1.0872 1.0872 2.6190 2.6190 3.6389 3.6389 7.7046 7.7046 8.2222 8.2222 9.6469 9.6469 14.2189 14.2189 15.1997 15.1997 18.0524 18.0524 23.1904 23.1904 23.7536 23.7536 24.9186 24.9186 k =-0.5000 0.3382 0.4501 ( 1256 PWs) bands (ev): -10.7896 -10.7896 -7.6671 -7.6671 -1.6424 -1.6424 1.1314 1.1314 2.6685 2.6685 3.6026 3.6026 7.7821 7.7821 8.2585 8.2585 9.6414 9.6414 14.1854 14.1854 15.1947 15.1947 18.1009 18.1009 23.1027 23.1027 23.7683 23.7683 24.8836 24.8836 k =-0.5000 0.3382 0.4392 ( 1256 PWs) bands (ev): -10.8155 -10.8155 -7.6554 -7.6554 -1.6806 -1.6806 1.1783 1.1783 2.7210 2.7210 3.5664 3.5664 7.8643 7.8643 8.2980 8.2980 9.6353 9.6353 14.1501 14.1501 15.1894 15.1894 18.1522 18.1522 23.0078 23.0078 23.7847 23.7847 24.8462 24.8462 k =-0.5000 0.3382 0.4282 ( 1256 PWs) bands (ev): -10.8429 -10.8429 -7.6433 -7.6433 -1.7204 -1.7204 1.2274 1.2274 2.7762 2.7762 3.5311 3.5311 7.9505 7.9505 8.3407 8.3407 9.6288 9.6288 14.1134 14.1134 15.1836 15.1836 18.2060 18.2060 22.9057 22.9057 23.8029 23.8029 24.8064 24.8064 k =-0.5000 0.3382 0.4172 ( 1252 PWs) bands (ev): -10.8716 -10.8716 -7.6309 -7.6309 -1.7614 -1.7614 1.2783 1.2783 2.8333 2.8333 3.4977 3.4977 8.0403 8.0403 8.3866 8.3866 9.6217 9.6217 14.0755 14.0755 15.1775 15.1775 18.2618 18.2618 22.7969 22.7969 23.8228 23.8228 24.7645 24.7645 k =-0.5000 0.3382 0.4062 ( 1252 PWs) bands (ev): -10.9013 -10.9013 -7.6183 -7.6183 -1.8035 -1.8035 1.3304 1.3304 2.8916 2.8916 3.4674 3.4674 8.1331 8.1331 8.4356 8.4356 9.6142 9.6142 14.0366 14.0366 15.1711 15.1711 18.3194 18.3194 22.6814 22.6814 23.8445 23.8445 24.7207 24.7207 k =-0.5000 0.3382 0.3952 ( 1258 PWs) bands (ev): -10.9320 -10.9320 -7.6056 -7.6056 -1.8463 -1.8463 1.3834 1.3834 2.9499 2.9499 3.4420 3.4420 8.2283 8.2283 8.4877 8.4877 9.6061 9.6061 13.9970 13.9970 15.1644 15.1644 18.3782 18.3782 22.5596 22.5596 23.8681 23.8681 24.6749 24.6749 k =-0.5000 0.3382 0.3843 ( 1258 PWs) bands (ev): -10.9635 -10.9635 -7.5929 -7.5929 -1.8897 -1.8897 1.4364 1.4364 3.0063 3.0063 3.4237 3.4237 8.3252 8.3252 8.5433 8.5433 9.5976 9.5976 13.9570 13.9570 15.1574 15.1574 18.4382 18.4382 22.4317 22.4317 23.8936 23.8936 24.6273 24.6273 k =-0.5000 0.3382 0.3733 ( 1258 PWs) bands (ev): -10.9956 -10.9956 -7.5803 -7.5803 -1.9334 -1.9334 1.4888 1.4888 3.0583 3.0583 3.4156 3.4156 8.4230 8.4230 8.6025 8.6025 9.5886 9.5886 13.9167 13.9167 15.1502 15.1502 18.4989 18.4989 22.2980 22.2980 23.9210 23.9210 24.5774 24.5774 k =-0.5000 0.3382 0.3623 ( 1258 PWs) bands (ev): -11.0282 -11.0282 -7.5678 -7.5678 -1.9773 -1.9773 1.5398 1.5398 3.1024 3.1024 3.4218 3.4218 8.5203 8.5203 8.6664 8.6664 9.5792 9.5792 13.8763 13.8763 15.1427 15.1427 18.5599 18.5599 22.1586 22.1586 23.9501 23.9501 24.5245 24.5245 k =-0.5000 0.3382 0.3513 ( 1256 PWs) bands (ev): -11.0612 -11.0612 -7.5556 -7.5556 -2.0212 -2.0212 1.5886 1.5886 3.1360 3.1360 3.4455 3.4455 8.6147 8.6147 8.7365 8.7365 9.5695 9.5695 13.8360 13.8360 15.1351 15.1351 18.6211 18.6211 22.0140 22.0140 23.9808 23.9808 24.4653 24.4653 k =-0.5000 0.3382 0.3403 ( 1256 PWs) bands (ev): -11.0943 -11.0943 -7.5436 -7.5436 -2.0648 -2.0648 1.6343 1.6343 3.1597 3.1597 3.4869 3.4869 8.7035 8.7035 8.8152 8.8152 9.5594 9.5594 13.7960 13.7960 15.1273 15.1273 18.6821 18.6821 21.8642 21.8642 24.0117 24.0117 24.3869 24.3869 k =-0.5000 0.3382 0.3294 ( 1256 PWs) bands (ev): -11.1275 -11.1275 -7.5320 -7.5320 -2.1082 -2.1082 1.6759 1.6759 3.1777 3.1777 3.5422 3.5422 8.7849 8.7849 8.9036 8.9036 9.5493 9.5493 13.7563 13.7563 15.1194 15.1194 18.7426 18.7426 21.7097 21.7097 24.0358 24.0358 24.2501 24.2501 k =-0.5000 0.3382 0.3184 ( 1260 PWs) bands (ev): -11.1607 -11.1607 -7.5207 -7.5207 -2.1510 -2.1510 1.7127 1.7127 3.1947 3.1947 3.6073 3.6073 8.8603 8.8603 8.9997 8.9997 9.5392 9.5392 13.7172 13.7172 15.1114 15.1114 18.8024 18.8024 21.5506 21.5506 23.9730 23.9730 24.1354 24.1354 k =-0.5000 0.3382 0.3074 ( 1256 PWs) bands (ev): -11.1937 -11.1937 -7.5099 -7.5099 -2.1933 -2.1933 1.7440 1.7440 3.2145 3.2145 3.6789 3.6789 8.9320 8.9320 9.1001 9.1001 9.5296 9.5296 13.6788 13.6788 15.1033 15.1033 18.8613 18.8613 21.3874 21.3874 23.7645 23.7645 24.1516 24.1516 k =-0.5000 0.3382 0.2964 ( 1256 PWs) bands (ev): -11.2265 -11.2265 -7.4994 -7.4994 -2.2348 -2.2348 1.7693 1.7693 3.2391 3.2391 3.7550 3.7550 9.0015 9.0015 9.2021 9.2021 9.5213 9.5213 13.6410 13.6410 15.0952 15.0952 18.9190 18.9190 21.2203 21.2203 23.5365 23.5365 24.1872 24.1872 k =-0.5000 0.3382 0.2855 ( 1254 PWs) bands (ev): -11.2588 -11.2588 -7.4895 -7.4895 -2.2756 -2.2756 1.7885 1.7885 3.2698 3.2698 3.8343 3.8343 9.0690 9.0690 9.3031 9.3031 9.5162 9.5162 13.6042 13.6042 15.0872 15.0872 18.9753 18.9753 21.0499 21.0499 23.3094 23.3094 24.1956 24.1956 k =-0.5000 0.3382 0.2745 ( 1246 PWs) bands (ev): -11.2907 -11.2907 -7.4800 -7.4800 -2.3154 -2.3154 1.8015 1.8015 3.3069 3.3069 3.9160 3.9160 9.1338 9.1338 9.3970 9.3970 9.5209 9.5209 13.5683 13.5683 15.0791 15.0791 19.0302 19.0302 20.8766 20.8766 23.0872 23.0872 24.1513 24.1513 k =-0.5000 0.3382 0.2635 ( 1246 PWs) bands (ev): -11.3219 -11.3219 -7.4710 -7.4710 -2.3542 -2.3542 1.8086 1.8086 3.3501 3.3501 3.9995 3.9995 9.1934 9.1934 9.4599 9.4599 9.5606 9.5606 13.5334 13.5334 15.0710 15.0710 19.0832 19.0832 20.7009 20.7009 22.8711 22.8711 24.1023 24.1023 k =-0.5000 0.3382 0.2525 ( 1248 PWs) bands (ev): -11.3525 -11.3525 -7.4625 -7.4625 -2.3920 -2.3920 1.8105 1.8105 3.3990 3.3990 4.0846 4.0846 9.2438 9.2438 9.4860 9.4860 9.6451 9.6451 13.4996 13.4996 15.0631 15.0631 19.1343 19.1343 20.5235 20.5235 22.6620 22.6620 24.0534 24.0534 k =-0.5000 0.3382 0.2415 ( 1252 PWs) bands (ev): -11.3824 -11.3824 -7.4546 -7.4546 -2.4285 -2.4285 1.8078 1.8078 3.4525 3.4525 4.1710 4.1710 9.2793 9.2793 9.5126 9.5126 9.7421 9.7421 13.4669 13.4669 15.0552 15.0552 19.1834 19.1834 20.3451 20.3451 22.4602 22.4602 24.0052 24.0052 k =-0.5000 0.3382 0.2306 ( 1252 PWs) bands (ev): -11.4114 -11.4114 -7.4471 -7.4471 -2.4639 -2.4639 1.8012 1.8012 3.5098 3.5098 4.2584 4.2584 9.2970 9.2970 9.5528 9.5528 9.8410 9.8410 13.4355 13.4355 15.0475 15.0475 19.2304 19.2304 20.1663 20.1663 22.2661 22.2661 23.9580 23.9580 k =-0.5000 0.3382 0.2196 ( 1252 PWs) bands (ev): -11.4395 -11.4395 -7.4401 -7.4401 -2.4979 -2.4979 1.7913 1.7913 3.5699 3.5699 4.3467 4.3467 9.2999 9.2999 9.6055 9.6055 9.9391 9.9391 13.4054 13.4054 15.0400 15.0400 19.2750 19.2750 19.9881 19.9881 22.0799 22.0799 23.9118 23.9118 k =-0.5000 0.3382 0.2086 ( 1252 PWs) bands (ev): -11.4667 -11.4667 -7.4335 -7.4335 -2.5307 -2.5307 1.7790 1.7790 3.6318 3.6318 4.4356 4.4356 9.2933 9.2933 9.6658 9.6658 10.0355 10.0355 13.3765 13.3765 15.0326 15.0326 19.3171 19.3171 19.8115 19.8115 21.9016 21.9016 23.8668 23.8668 k =-0.5000 0.3382 0.1976 ( 1246 PWs) bands (ev): -11.4928 -11.4928 -7.4275 -7.4275 -2.5620 -2.5620 1.7647 1.7647 3.6945 3.6945 4.5250 4.5250 9.2811 9.2811 9.7301 9.7301 10.1297 10.1297 13.3490 13.3490 15.0255 15.0255 19.3562 19.3562 19.6377 19.6377 21.7314 21.7314 23.8231 23.8231 k =-0.5000 0.3382 0.1866 ( 1246 PWs) bands (ev): -11.5178 -11.5178 -7.4219 -7.4219 -2.5918 -2.5918 1.7492 1.7492 3.7572 3.7572 4.6144 4.6144 9.2653 9.2653 9.7958 9.7958 10.2213 10.2213 13.3228 13.3228 15.0185 15.0185 19.3868 19.3868 19.4730 19.4730 21.5693 21.5693 23.7808 23.7808 k =-0.5000 0.3382 0.1757 ( 1246 PWs) bands (ev): -11.5416 -11.5416 -7.4167 -7.4167 -2.6202 -2.6202 1.7327 1.7327 3.8190 3.8190 4.7037 4.7037 9.2472 9.2472 9.8618 9.8618 10.3098 10.3098 13.2981 13.2981 15.0119 15.0119 19.2895 19.2895 19.4377 19.4377 21.4154 21.4154 23.7400 23.7400 k =-0.5000 0.3382 0.1647 ( 1238 PWs) bands (ev): -11.5643 -11.5643 -7.4119 -7.4119 -2.6470 -2.6470 1.7159 1.7159 3.8794 3.8794 4.7924 4.7924 9.2275 9.2275 9.9271 9.9271 10.3950 10.3950 13.2748 13.2748 15.0056 15.0056 19.1294 19.1294 19.4678 19.4678 21.2698 21.2698 23.7009 23.7009 k =-0.5000 0.3382 0.1537 ( 1234 PWs) bands (ev): -11.5857 -11.5857 -7.4076 -7.4076 -2.6723 -2.6723 1.6989 1.6989 3.9377 3.9377 4.8802 4.8802 9.2066 9.2066 9.9909 9.9909 10.4764 10.4764 13.2529 13.2529 14.9995 14.9995 18.9726 18.9726 19.4976 19.4976 21.1325 21.1325 23.6636 23.6636 k =-0.5000 0.3382 0.1427 ( 1242 PWs) bands (ev): -11.6058 -11.6058 -7.4037 -7.4037 -2.6959 -2.6959 1.6822 1.6822 3.9934 3.9934 4.9663 4.9663 9.1849 9.1849 10.0528 10.0528 10.5539 10.5539 13.2324 13.2324 14.9938 14.9938 18.8220 18.8220 19.5256 19.5256 21.0036 21.0036 23.6282 23.6282 k =-0.5000 0.3382 0.1317 ( 1234 PWs) bands (ev): -11.6245 -11.6245 -7.4001 -7.4001 -2.7179 -2.7179 1.6659 1.6659 4.0461 4.0461 5.0504 5.0504 9.1628 9.1628 10.1122 10.1122 10.6271 10.6271 13.2135 13.2135 14.9885 14.9885 18.6785 18.6785 19.5513 19.5513 20.8832 20.8832 23.5948 23.5948 k =-0.5000 0.3382 0.1208 ( 1234 PWs) bands (ev): -11.6419 -11.6419 -7.3969 -7.3969 -2.7383 -2.7383 1.6503 1.6503 4.0956 4.0956 5.1318 5.1318 9.1405 9.1405 10.1688 10.1688 10.6957 10.6957 13.1960 13.1960 14.9834 14.9834 18.5431 18.5431 19.5748 19.5748 20.7716 20.7716 23.5635 23.5635 k =-0.5000 0.3382 0.1098 ( 1234 PWs) bands (ev): -11.6579 -11.6579 -7.3940 -7.3940 -2.7569 -2.7569 1.6356 1.6356 4.1414 4.1414 5.2097 5.2097 9.1183 9.1183 10.2220 10.2220 10.7595 10.7595 13.1800 13.1800 14.9788 14.9788 18.4166 18.4166 19.5961 19.5961 20.6687 20.6687 23.5344 23.5344 k =-0.5000 0.3382 0.0988 ( 1234 PWs) bands (ev): -11.6725 -11.6725 -7.3915 -7.3915 -2.7739 -2.7739 1.6219 1.6219 4.1833 4.1833 5.2835 5.2835 9.0966 9.0966 10.2716 10.2716 10.8181 10.8181 13.1655 13.1655 14.9746 14.9746 18.2997 18.2997 19.6151 19.6151 20.5749 20.5749 23.5078 23.5078 k =-0.5000 0.3382 0.0878 ( 1230 PWs) bands (ev): -11.6856 -11.6856 -7.3893 -7.3893 -2.7891 -2.7891 1.6093 1.6093 4.2213 4.2213 5.3524 5.3524 9.0758 9.0758 10.3171 10.3171 10.8714 10.8714 13.1525 13.1525 14.9708 14.9708 18.1931 18.1931 19.6320 19.6320 20.4903 20.4903 23.4836 23.4836 k =-0.5000 0.3382 0.0769 ( 1234 PWs) bands (ev): -11.6972 -11.6972 -7.3873 -7.3873 -2.8026 -2.8026 1.5980 1.5980 4.2550 4.2550 5.4156 5.4156 9.0561 9.0561 10.3581 10.3581 10.9190 10.9190 13.1410 13.1410 14.9673 14.9673 18.0975 18.0975 19.6468 19.6468 20.4151 20.4151 23.4620 23.4620 k =-0.5000 0.3382 0.0659 ( 1236 PWs) bands (ev): -11.7073 -11.7073 -7.3857 -7.3857 -2.8143 -2.8143 1.5881 1.5881 4.2845 4.2845 5.4723 5.4723 9.0380 9.0380 10.3944 10.3944 10.9607 10.9607 13.1310 13.1310 14.9644 14.9644 18.0133 18.0133 19.6595 19.6595 20.3495 20.3495 23.4430 23.4430 k =-0.5000 0.3382 0.0549 ( 1240 PWs) bands (ev): -11.7158 -11.7158 -7.3843 -7.3843 -2.8242 -2.8242 1.5795 1.5795 4.3096 4.3096 5.5218 5.5218 9.0218 9.0218 10.4256 10.4256 10.9964 10.9964 13.1225 13.1225 14.9618 14.9618 17.9412 17.9412 19.6701 19.6701 20.2936 20.2936 23.4268 23.4268 k =-0.5000 0.3382 0.0439 ( 1240 PWs) bands (ev): -11.7229 -11.7229 -7.3832 -7.3832 -2.8323 -2.8323 1.5725 1.5725 4.3302 4.3302 5.5634 5.5634 9.0080 9.0080 10.4516 10.4516 11.0259 11.0259 13.1156 13.1156 14.9597 14.9597 17.8815 17.8815 19.6788 19.6788 20.2476 20.2476 23.4135 23.4135 k =-0.5000 0.3382 0.0329 ( 1240 PWs) bands (ev): -11.7284 -11.7284 -7.3823 -7.3823 -2.8387 -2.8387 1.5669 1.5669 4.3463 4.3463 5.5964 5.5964 8.9968 8.9968 10.4720 10.4720 11.0490 11.0490 13.1102 13.1102 14.9581 14.9581 17.8348 17.8348 19.6855 19.6855 20.2117 20.2117 23.4030 23.4030 k =-0.5000 0.3382 0.0220 ( 1240 PWs) bands (ev): -11.7323 -11.7323 -7.3817 -7.3817 -2.8432 -2.8432 1.5629 1.5629 4.3578 4.3578 5.6204 5.6204 8.9886 8.9886 10.4867 10.4867 11.0655 11.0655 13.1064 13.1064 14.9569 14.9569 17.8011 17.8011 19.6903 19.6903 20.1860 20.1860 23.3955 23.3955 k =-0.5000 0.3382 0.0110 ( 1236 PWs) bands (ev): -11.7346 -11.7346 -7.3813 -7.3813 -2.8459 -2.8459 1.5605 1.5605 4.3647 4.3647 5.6350 5.6350 8.9836 8.9836 10.4956 10.4956 11.0755 11.0755 13.1041 13.1041 14.9562 14.9562 17.7809 17.7809 19.6931 19.6931 20.1705 20.1705 23.3910 23.3910 k =-0.5000 0.3382 0.0000 ( 1232 PWs) bands (ev): -11.7354 -11.7354 -7.3812 -7.3812 -2.8468 -2.8468 1.5597 1.5597 4.3670 4.3670 5.6399 5.6399 8.9819 8.9819 10.4986 10.4986 11.0788 11.0788 13.1033 13.1033 14.9560 14.9560 17.7741 17.7741 19.6942 19.6942 20.1653 20.1653 23.3895 23.3895 k = 0.0000 0.0000 0.5709 ( 1228 PWs) bands (ev): -11.1698 -11.1698 -8.5043 -8.5043 0.6128 0.6128 1.4350 1.4350 4.1279 4.1279 5.4163 5.4163 7.9472 7.9472 8.3498 8.3498 9.1973 9.1973 12.0560 12.0560 13.3695 13.3695 17.0679 17.0679 18.9187 18.9187 20.7023 20.7023 24.0138 24.0138 k =-0.0091 0.0061 0.5709 ( 1228 PWs) bands (ev): -11.1694 -11.1694 -8.5037 -8.5037 0.6060 0.6060 1.4408 1.4408 4.1269 4.1269 5.4131 5.4131 7.9451 7.9451 8.3532 8.3532 9.1942 9.1942 12.0601 12.0601 13.3665 13.3665 17.0735 17.0735 18.9222 18.9222 20.7088 20.7088 24.0142 24.0142 k =-0.0182 0.0123 0.5709 ( 1236 PWs) bands (ev): -11.1682 -11.1682 -8.5021 -8.5021 0.5865 0.5865 1.4574 1.4574 4.1242 4.1242 5.4035 5.4035 7.9389 7.9389 8.3634 8.3634 9.1850 9.1850 12.0721 12.0721 13.3573 13.3573 17.0901 17.0901 18.9325 18.9325 20.7281 20.7281 24.0154 24.0154 k =-0.0273 0.0184 0.5709 ( 1236 PWs) bands (ev): -11.1663 -11.1663 -8.4993 -8.4993 0.5557 0.5557 1.4833 1.4833 4.1196 4.1196 5.3877 5.3877 7.9289 7.9289 8.3799 8.3799 9.1700 9.1700 12.0918 12.0918 13.3423 13.3423 17.1178 17.1178 18.9497 18.9497 20.7602 20.7602 24.0175 24.0175 k =-0.0364 0.0246 0.5709 ( 1232 PWs) bands (ev): -11.1635 -11.1635 -8.4955 -8.4955 0.5158 0.5158 1.5163 1.5163 4.1132 4.1132 5.3661 5.3661 7.9152 7.9152 8.4023 8.4023 9.1492 9.1492 12.1192 12.1192 13.3218 13.3218 17.1562 17.1562 18.9737 18.9737 20.8046 20.8046 24.0204 24.0204 k =-0.0455 0.0307 0.5709 ( 1232 PWs) bands (ev): -11.1599 -11.1599 -8.4906 -8.4906 0.4687 0.4687 1.5542 1.5542 4.1049 4.1049 5.3392 5.3392 7.8985 7.8985 8.4300 8.4300 9.1232 9.1232 12.1536 12.1536 13.2963 13.2963 17.2052 17.2052 19.0046 19.0046 20.8609 20.8609 24.0242 24.0242 k =-0.0545 0.0369 0.5709 ( 1232 PWs) bands (ev): -11.1556 -11.1556 -8.4846 -8.4846 0.4163 0.4163 1.5952 1.5952 4.0949 4.0949 5.3074 5.3074 7.8790 7.8790 8.4621 8.4621 9.0924 9.0924 12.1947 12.1947 13.2665 13.2665 17.2644 17.2644 19.0422 19.0422 20.9285 20.9285 24.0287 24.0287 k =-0.0636 0.0430 0.5709 ( 1240 PWs) bands (ev): -11.1505 -11.1505 -8.4776 -8.4776 0.3599 0.3599 1.6376 1.6376 4.0830 4.0830 5.2713 5.2713 7.8574 7.8574 8.4980 8.4980 9.0572 9.0572 12.2420 12.2420 13.2331 13.2331 17.3335 17.3335 19.0866 19.0866 21.0069 21.0069 24.0340 24.0340 k =-0.0727 0.0492 0.5709 ( 1240 PWs) bands (ev): -11.1446 -11.1446 -8.4695 -8.4695 0.3006 0.3006 1.6801 1.6801 4.0694 4.0694 5.2315 5.2315 7.8343 7.8343 8.5368 8.5368 9.0180 9.0180 12.2950 12.2950 13.1969 13.1969 17.4121 17.4121 19.1376 19.1376 21.0953 21.0953 24.0402 24.0402 k =-0.0818 0.0553 0.5709 ( 1246 PWs) bands (ev): -11.1381 -11.1381 -8.4605 -8.4605 0.2395 0.2395 1.7216 1.7216 4.0539 4.0539 5.1887 5.1887 7.8101 7.8101 8.5775 8.5775 8.9754 8.9754 12.3532 12.3532 13.1587 13.1587 17.4996 17.4996 19.1953 19.1953 21.1930 21.1930 24.0470 24.0470 k =-0.0909 0.0615 0.5709 ( 1252 PWs) bands (ev): -11.1308 -11.1308 -8.4504 -8.4504 0.1770 0.1770 1.7613 1.7613 4.0366 4.0366 5.1435 5.1435 7.7856 7.7856 8.6195 8.6195 8.9299 8.9299 12.4160 12.4160 13.1196 13.1196 17.5957 17.5957 19.2595 19.2595 21.2991 21.2991 24.0546 24.0546 k =-0.1000 0.0676 0.5709 ( 1252 PWs) bands (ev): -11.1228 -11.1228 -8.4393 -8.4393 0.1138 0.1138 1.7984 1.7984 4.0175 4.0175 5.0965 5.0965 7.7614 7.7614 8.6617 8.6617 8.8819 8.8819 12.4829 12.4829 13.0804 13.0804 17.6997 17.6997 19.3303 19.3303 21.4130 21.4130 24.0619 24.0619 k =-0.1091 0.0738 0.5709 ( 1260 PWs) bands (ev): -11.1141 -11.1141 -8.4273 -8.4273 0.0503 0.0503 1.8322 1.8322 3.9964 3.9964 5.0481 5.0481 7.7382 7.7382 8.7033 8.7033 8.8318 8.8318 12.5535 12.5535 13.0421 13.0421 17.8111 17.8111 19.4074 19.4074 21.5337 21.5337 24.0184 24.0184 k =-0.1182 0.0799 0.5709 ( 1260 PWs) bands (ev): -11.1048 -11.1048 -8.4143 -8.4143 -0.0133 -0.0133 1.8623 1.8623 3.9734 3.9734 4.9990 4.9990 7.7167 7.7167 8.7434 8.7434 8.7802 8.7802 12.6274 12.6274 13.0057 13.0057 17.9295 17.9295 19.4909 19.4909 21.6604 21.6604 23.8847 23.8847 k =-0.1273 0.0861 0.5709 ( 1256 PWs) bands (ev): -11.0948 -11.0948 -8.4005 -8.4005 -0.0765 -0.0765 1.8881 1.8881 3.9483 3.9483 4.9496 4.9496 7.6977 7.6977 8.7266 8.7266 8.7819 8.7819 12.7040 12.7040 12.9721 12.9721 18.0541 18.0541 19.5806 19.5806 21.7922 21.7922 23.7423 23.7423 k =-0.1364 0.0922 0.5709 ( 1254 PWs) bands (ev): -11.0843 -11.0843 -8.3858 -8.3858 -0.1393 -0.1393 1.9094 1.9094 3.9211 3.9211 4.9003 4.9003 7.6817 7.6817 8.6726 8.6726 8.8169 8.8169 12.7829 12.7829 12.9423 12.9423 18.1845 18.1845 19.6765 19.6765 21.9283 21.9283 23.5942 23.5942 k =-0.1455 0.0984 0.5709 ( 1254 PWs) bands (ev): -11.0732 -11.0732 -8.3702 -8.3702 -0.2013 -0.2013 1.9258 1.9258 3.8916 3.8916 4.8515 4.8515 7.6693 7.6693 8.6179 8.6179 8.8483 8.8483 12.8628 12.8628 12.9180 12.9180 18.3197 18.3197 19.7784 19.7784 22.0677 22.0677 23.4414 23.4414 k =-0.1545 0.1045 0.5709 ( 1252 PWs) bands (ev): -11.0615 -11.0615 -8.3539 -8.3539 -0.2625 -0.2625 1.9372 1.9372 3.8599 3.8599 4.8035 4.8035 7.6613 7.6613 8.5626 8.5626 8.8754 8.8754 12.8936 12.8936 12.9498 12.9498 18.4594 18.4594 19.8863 19.8863 22.2094 22.2094 23.2849 23.2849 k =-0.1636 0.1107 0.5709 ( 1252 PWs) bands (ev): -11.0493 -11.0493 -8.3369 -8.3369 -0.3227 -0.3227 1.9435 1.9435 3.8257 3.8257 4.7564 4.7564 7.6582 7.6582 8.5072 8.5072 8.8978 8.8978 12.8803 12.8803 13.0328 13.0328 18.6026 18.6026 20.0001 20.0001 22.3523 22.3523 23.1256 23.1256 k =-0.1727 0.1168 0.5709 ( 1252 PWs) bands (ev): -11.0367 -11.0367 -8.3191 -8.3191 -0.3818 -0.3818 1.9445 1.9445 3.7890 3.7890 4.7106 4.7106 7.6603 7.6603 8.4517 8.4517 8.9149 8.9149 12.8722 12.8722 13.1181 13.1181 18.7487 18.7487 20.1196 20.1196 22.4949 22.4949 22.9647 22.9647 k =-0.1818 0.1230 0.5709 ( 1252 PWs) bands (ev): -11.0236 -11.0236 -8.3007 -8.3007 -0.4396 -0.4396 1.9405 1.9405 3.7498 3.7498 4.6662 4.6662 7.6682 7.6682 8.3965 8.3965 8.9265 8.9265 12.8707 12.8707 13.2043 13.2043 18.8967 18.8967 20.2448 20.2448 22.6333 22.6333 22.8058 22.8058 k =-0.1909 0.1291 0.5709 ( 1252 PWs) bands (ev): -11.0101 -11.0101 -8.2817 -8.2817 -0.4961 -0.4961 1.9314 1.9314 3.7082 3.7082 4.6230 4.6230 7.6820 7.6820 8.3417 8.3417 8.9323 8.9323 12.8761 12.8761 13.2911 13.2911 19.0457 19.0457 20.3754 20.3754 22.6293 22.6293 22.7866 22.7866 k =-0.2000 0.1353 0.5709 ( 1252 PWs) bands (ev): -10.9963 -10.9963 -8.2621 -8.2621 -0.5511 -0.5511 1.9175 1.9175 3.6642 3.6642 4.5813 4.5813 7.7021 7.7021 8.2874 8.2874 8.9325 8.9325 12.8885 12.8885 13.3783 13.3783 19.1943 19.1943 20.5115 20.5115 22.4721 22.4721 22.9175 22.9175 k =-0.2091 0.1414 0.5709 ( 1252 PWs) bands (ev): -10.9821 -10.9821 -8.2420 -8.2420 -0.6047 -0.6047 1.8990 1.8990 3.6179 3.6179 4.5410 4.5410 7.7285 7.7285 8.2338 8.2338 8.9269 8.9269 12.9078 12.9078 13.4656 13.4656 19.3412 19.3412 20.6528 20.6528 22.3139 22.3139 23.0458 23.0458 k =-0.2182 0.1476 0.5709 ( 1248 PWs) bands (ev): -10.9676 -10.9676 -8.2215 -8.2215 -0.6568 -0.6568 1.8763 1.8763 3.5695 3.5695 4.5020 4.5020 7.7612 7.7612 8.1810 8.1810 8.9159 8.9159 12.9340 12.9340 13.5528 13.5528 19.4843 19.4843 20.7993 20.7993 22.1599 22.1599 23.1661 23.1661 k =-0.2273 0.1537 0.5709 ( 1248 PWs) bands (ev): -10.9530 -10.9530 -8.2005 -8.2005 -0.7072 -0.7072 1.8496 1.8496 3.5193 3.5193 4.4642 4.4642 7.8001 7.8001 8.1291 8.1291 8.8998 8.8998 12.9665 12.9665 13.6396 13.6396 19.6208 19.6208 20.9507 20.9507 22.0131 22.0131 23.2755 23.2755 k =-0.2364 0.1599 0.5709 ( 1248 PWs) bands (ev): -10.9381 -10.9381 -8.1793 -8.1793 -0.7560 -0.7560 1.8192 1.8192 3.4673 3.4673 4.4275 4.4275 7.8452 7.8452 8.0783 8.0783 8.8788 8.8788 13.0052 13.0052 13.7259 13.7259 19.7470 19.7470 21.1068 21.1068 21.8776 21.8776 23.3721 23.3721 k =-0.2455 0.1660 0.5709 ( 1246 PWs) bands (ev): -10.9231 -10.9231 -8.1578 -8.1578 -0.8030 -0.8030 1.7857 1.7857 3.4140 3.4140 4.3920 4.3920 7.8960 7.8960 8.0285 8.0285 8.8536 8.8536 13.0494 13.0494 13.8114 13.8114 19.8578 19.8578 21.2671 21.2671 21.7588 21.7588 23.4546 23.4546 k =-0.2545 0.1722 0.5709 ( 1250 PWs) bands (ev): -10.9080 -10.9080 -8.1361 -8.1361 -0.8483 -0.8483 1.7492 1.7492 3.3596 3.3596 4.3575 4.3575 7.9523 7.9523 7.9800 7.9800 8.8245 8.8245 13.0986 13.0986 13.8959 13.8959 19.9462 19.9462 21.4297 21.4297 21.6655 21.6655 23.5226 23.5226 k =-0.2636 0.1783 0.5709 ( 1246 PWs) bands (ev): -10.8928 -10.8928 -8.1142 -8.1142 -0.8919 -0.8919 1.7103 1.7103 3.3044 3.3044 4.3240 4.3240 7.9327 7.9327 8.0139 8.0139 8.7921 8.7921 13.1523 13.1523 13.9793 13.9793 20.0042 20.0042 21.5605 21.5605 21.6397 21.6397 23.5771 23.5771 k =-0.2727 0.1844 0.5709 ( 1246 PWs) bands (ev): -10.8777 -10.8777 -8.0923 -8.0923 -0.9336 -0.9336 1.6692 1.6692 3.2487 3.2487 4.2915 4.2915 7.8868 7.8868 8.0802 8.0802 8.7570 8.7570 13.2098 13.2098 14.0614 14.0614 20.0245 20.0245 21.5589 21.5589 21.7889 21.7889 23.6197 23.6197 k =-0.2818 0.1906 0.5709 ( 1250 PWs) bands (ev): -10.8626 -10.8626 -8.0705 -8.0705 -0.9736 -0.9736 1.6265 1.6265 3.1927 3.1927 4.2600 4.2600 7.8423 7.8423 8.1506 8.1506 8.7196 8.7196 13.2705 13.2705 14.1419 14.1419 20.0040 20.0040 21.5755 21.5755 21.9653 21.9653 23.6522 23.6522 k =-0.2909 0.1967 0.5709 ( 1250 PWs) bands (ev): -10.8476 -10.8476 -8.0487 -8.0487 -1.0117 -1.0117 1.5823 1.5823 3.1368 3.1368 4.2294 4.2294 7.7993 7.7993 8.2249 8.2249 8.6805 8.6805 13.3338 13.3338 14.2207 14.2207 19.9465 19.9465 21.6278 21.6278 22.1476 22.1476 23.6764 23.6764 k =-0.3000 0.2029 0.5709 ( 1246 PWs) bands (ev): -10.8327 -10.8327 -8.0270 -8.0270 -1.0479 -1.0479 1.5371 1.5371 3.0813 3.0813 4.1998 4.1998 7.7578 7.7578 8.3024 8.3024 8.6402 8.6402 13.3991 13.3991 14.2977 14.2977 19.8595 19.8595 21.7095 21.7095 22.3344 22.3344 23.6942 23.6942 k =-0.3091 0.2090 0.5709 ( 1250 PWs) bands (ev): -10.8181 -10.8181 -8.0057 -8.0057 -1.0823 -1.0823 1.4913 1.4913 3.0264 3.0264 4.1712 4.1712 7.7179 7.7179 8.3823 8.3823 8.5994 8.5994 13.4658 13.4658 14.3726 14.3726 19.7516 19.7516 21.8123 21.8123 22.5250 22.5250 23.7067 23.7067 k =-0.3182 0.2152 0.5709 ( 1250 PWs) bands (ev): -10.8037 -10.8037 -7.9846 -7.9846 -1.1148 -1.1148 1.4451 1.4451 2.9724 2.9724 4.1437 4.1437 7.6796 7.6796 8.4631 8.4631 8.5596 8.5596 13.5333 13.5333 14.4453 14.4453 19.6298 19.6298 21.9290 21.9290 22.7190 22.7190 23.7151 23.7151 k =-0.3273 0.2213 0.5709 ( 1254 PWs) bands (ev): -10.7896 -10.7896 -7.9639 -7.9639 -1.1455 -1.1455 1.3988 1.3988 2.9196 2.9196 4.1172 4.1172 7.6429 7.6429 8.5076 8.5076 8.5578 8.5578 13.6011 13.6011 14.5156 14.5156 19.4997 19.4997 22.0543 22.0543 22.9159 22.9159 23.7206 23.7206 k =-0.3364 0.2275 0.5709 ( 1254 PWs) bands (ev): -10.7759 -10.7759 -7.9437 -7.9437 -1.1743 -1.1743 1.3529 1.3529 2.8681 2.8681 4.0918 4.0918 7.6080 7.6080 8.4715 8.4715 8.6380 8.6380 13.6687 13.6687 14.5834 14.5834 19.3651 19.3651 22.1842 22.1842 23.1150 23.1150 23.7246 23.7246 k =-0.3455 0.2336 0.5709 ( 1254 PWs) bands (ev): -10.7626 -10.7626 -7.9240 -7.9240 -1.2013 -1.2013 1.3075 1.3075 2.8182 2.8182 4.0676 4.0676 7.5747 7.5747 8.4317 8.4317 8.7231 8.7231 13.7356 13.7356 14.6485 14.6485 19.2287 19.2287 22.3159 22.3159 23.3141 23.3141 23.7293 23.7293 k =-0.3545 0.2398 0.5709 ( 1250 PWs) bands (ev): -10.7498 -10.7498 -7.9050 -7.9050 -1.2264 -1.2264 1.2630 1.2630 2.7701 2.7701 4.0445 4.0445 7.5432 7.5432 8.3924 8.3924 8.8086 8.8086 13.8012 13.8012 14.7108 14.7108 19.0927 19.0927 22.4474 22.4474 23.5048 23.5048 23.7433 23.7433 k =-0.3636 0.2459 0.5709 ( 1246 PWs) bands (ev): -10.7374 -10.7374 -7.8866 -7.8866 -1.2498 -1.2498 1.2197 1.2197 2.7240 2.7240 4.0227 4.0227 7.5135 7.5135 8.3542 8.3542 8.8936 8.8936 13.8652 13.8652 14.7701 14.7701 18.9585 18.9585 22.5769 22.5769 23.6393 23.6393 23.8145 23.8145 k =-0.3727 0.2521 0.5709 ( 1238 PWs) bands (ev): -10.7256 -10.7256 -7.8690 -7.8690 -1.2714 -1.2714 1.1778 1.1778 2.6800 2.6800 4.0021 4.0021 7.4856 7.4856 8.3175 8.3175 8.9774 8.9774 13.9271 13.9271 14.8263 14.8263 18.8277 18.8277 22.7033 22.7033 23.6733 23.6733 23.9872 23.9872 k =-0.3818 0.2582 0.5709 ( 1238 PWs) bands (ev): -10.7144 -10.7144 -7.8523 -7.8523 -1.2913 -1.2913 1.1375 1.1375 2.6384 2.6384 3.9827 3.9827 7.4596 7.4596 8.2824 8.2824 9.0593 9.0593 13.9866 13.9866 14.8792 14.8792 18.7011 18.7011 22.8252 22.8252 23.6772 23.6772 24.1907 24.1907 k =-0.3909 0.2644 0.5709 ( 1238 PWs) bands (ev): -10.7039 -10.7039 -7.8365 -7.8365 -1.3095 -1.3095 1.0991 1.0991 2.5994 2.5994 3.9647 3.9647 7.4354 7.4354 8.2493 8.2493 9.1386 9.1386 14.0432 14.0432 14.9287 14.9287 18.5797 18.5797 22.9418 22.9418 23.6745 23.6745 24.4011 24.4011 k =-0.4000 0.2705 0.5709 ( 1238 PWs) bands (ev): -10.6940 -10.6940 -7.8217 -7.8217 -1.3260 -1.3260 1.0629 1.0629 2.5629 2.5629 3.9480 3.9480 7.4130 7.4130 8.2182 8.2182 9.2147 9.2147 14.0966 14.0966 14.9748 14.9748 18.4645 18.4645 23.0523 23.0523 23.6695 23.6695 24.6132 24.6132 k =-0.4091 0.2767 0.5709 ( 1238 PWs) bands (ev): -10.6848 -10.6848 -7.8079 -7.8079 -1.3409 -1.3409 1.0290 1.0290 2.5292 2.5292 3.9327 3.9327 7.3926 7.3926 8.1894 8.1894 9.2871 9.2871 14.1466 14.1466 15.0172 15.0172 18.3562 18.3562 23.1558 23.1558 23.6636 23.6636 24.8231 24.8231 k =-0.4182 0.2828 0.5709 ( 1238 PWs) bands (ev): -10.6764 -10.6764 -7.7952 -7.7952 -1.3542 -1.3542 0.9976 0.9976 2.4984 2.4984 3.9188 3.9188 7.3740 7.3740 8.1629 8.1629 9.3549 9.3549 14.1927 14.1927 15.0559 15.0559 18.2556 18.2556 23.2517 23.2517 23.6573 23.6573 25.0078 25.0078 k =-0.4273 0.2890 0.5709 ( 1238 PWs) bands (ev): -10.6688 -10.6688 -7.7837 -7.7837 -1.3660 -1.3660 0.9691 0.9691 2.4706 2.4706 3.9063 3.9063 7.3574 7.3574 8.1390 8.1390 9.4177 9.4177 14.2347 14.2347 15.0909 15.0909 18.1635 18.1635 23.3394 23.3394 23.6510 23.6510 25.0603 25.0603 k =-0.4364 0.2951 0.5709 ( 1250 PWs) bands (ev): -10.6620 -10.6620 -7.7735 -7.7735 -1.3763 -1.3763 0.9434 0.9434 2.4458 2.4458 3.8952 3.8952 7.3427 7.3427 8.1176 8.1176 9.4747 9.4747 14.2724 14.2724 15.1219 15.1219 18.0802 18.0802 23.4180 23.4180 23.6450 23.6450 25.0721 25.0721 k =-0.4455 0.3013 0.5709 ( 1244 PWs) bands (ev): -10.6561 -10.6561 -7.7645 -7.7645 -1.3851 -1.3851 0.9208 0.9208 2.4242 2.4242 3.8856 3.8856 7.3300 7.3300 8.0989 8.0989 9.5255 9.5255 14.3055 14.3055 15.1489 15.1489 18.0068 18.0068 23.4873 23.4873 23.6396 23.6396 25.0796 25.0796 k =-0.4545 0.3074 0.5709 ( 1244 PWs) bands (ev): -10.6510 -10.6510 -7.7568 -7.7568 -1.3924 -1.3924 0.9015 0.9015 2.4057 2.4057 3.8774 3.8774 7.3191 7.3191 8.0829 8.0829 9.5695 9.5695 14.3339 14.3339 15.1719 15.1719 17.9436 17.9436 23.5465 23.5465 23.6351 23.6351 25.0852 25.0852 k =-0.4636 0.3136 0.5709 ( 1244 PWs) bands (ev): -10.6468 -10.6468 -7.7505 -7.7505 -1.3984 -1.3984 0.8855 0.8855 2.3906 2.3906 3.8707 3.8707 7.3103 7.3103 8.0698 8.0698 9.6063 9.6063 14.3573 14.3573 15.1908 15.1908 17.8912 17.8912 23.5942 23.5942 23.6325 23.6325 25.0897 25.0897 k =-0.4727 0.3197 0.5709 ( 1240 PWs) bands (ev): -10.6435 -10.6435 -7.7455 -7.7455 -1.4030 -1.4030 0.8729 0.8729 2.3788 2.3788 3.8655 3.8655 7.3034 7.3034 8.0596 8.0596 9.6353 9.6353 14.3757 14.3757 15.2056 15.2056 17.8499 17.8499 23.6199 23.6199 23.6422 23.6422 25.0930 25.0930 k =-0.4818 0.3259 0.5709 ( 1240 PWs) bands (ev): -10.6412 -10.6412 -7.7419 -7.7419 -1.4063 -1.4063 0.8639 0.8639 2.3703 2.3703 3.8617 3.8617 7.2985 7.2985 8.0522 8.0522 9.6563 9.6563 14.3889 14.3889 15.2161 15.2161 17.8202 17.8202 23.6213 23.6213 23.6661 23.6661 25.0954 25.0954 k =-0.4909 0.3320 0.5709 ( 1240 PWs) bands (ev): -10.6398 -10.6398 -7.7398 -7.7398 -1.4083 -1.4083 0.8584 0.8584 2.3652 2.3652 3.8595 3.8595 7.2955 7.2955 8.0478 8.0478 9.6690 9.6690 14.3968 14.3968 15.2225 15.2225 17.8022 17.8022 23.6205 23.6205 23.6823 23.6823 25.0968 25.0968 k =-0.5000 0.3382 0.5709 ( 1236 PWs) bands (ev): -10.6393 -10.6393 -7.7391 -7.7391 -1.4090 -1.4090 0.8566 0.8566 2.3635 2.3635 3.8588 3.8588 7.2945 7.2945 8.0463 8.0463 9.6732 9.6732 14.3995 14.3995 15.2246 15.2246 17.7962 17.7962 23.6202 23.6202 23.6878 23.6878 25.0973 25.0973 Writing output data file BaO2.save init_run : 0.34s CPU 0.46s WALL ( 1 calls) electrons : 70.20s CPU 72.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 70.20s CPU 72.21s 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 : 0.02s CPU 0.02s WALL ( 558 calls) cegterg : 65.47s CPU 67.03s WALL ( 559 calls) Called by sum_band: Called by *egterg: h_psi : 29.32s CPU 30.24s WALL ( 9623 calls) s_psi : 1.16s CPU 1.15s WALL ( 9623 calls) g_psi : 0.08s CPU 0.07s WALL ( 8506 calls) cdiaghg : 33.24s CPU 34.03s WALL ( 9064 calls) cegterg:over : 2.14s CPU 2.16s WALL ( 8506 calls) cegterg:upda : 1.46s CPU 1.42s WALL ( 8506 calls) cegterg:last : 0.68s CPU 0.73s WALL ( 1701 calls) cdiaghg:chol : 1.58s CPU 1.67s WALL ( 9064 calls) cdiaghg:inve : 0.80s CPU 0.92s WALL ( 9064 calls) cdiaghg:para : 2.04s CPU 1.92s WALL ( 18128 calls) Called by h_psi: h_psi:vloc : 26.66s CPU 27.40s WALL ( 9623 calls) h_psi:vnl : 2.61s CPU 2.79s WALL ( 9623 calls) add_vuspsi : 1.41s CPU 1.51s WALL ( 9623 calls) General routines calbec : 1.17s CPU 1.26s WALL ( 9623 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 25.31s CPU 26.03s WALL ( 701816 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.18s WALL ( 1116 calls) Parallel routines fft_scatter : 13.73s CPU 13.89s WALL ( 701839 calls) PWSCF : 1m21.71s CPU 1m41.70s WALL This run was terminated on: 14:12:51 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=