Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 5:42 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: ./Rb2O2.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 66 38 11 1644 718 113 Max 67 39 12 1647 735 115 Sum 2385 1375 403 59221 26109 4111 bravais-lattice index = 14 lattice parameter (alat) = 9.6126 a.u. unit-cell volume = 600.0185 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 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)= 9.612574 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.658969 celldm(5)= -0.308286 celldm(6)= -0.032744 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.032744 0.999464 0.000000 ) a(3) = ( -0.308286 -0.669423 0.675894 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.032762 0.488565 ) b(2) = ( 0.000000 1.000537 0.990957 ) b(3) = ( 0.000000 0.000000 1.479522 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Rb 9.00 85.46780 Rb( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( -0.0066303 0.0064166 0.0131406), wk = 0.0025773 k( 3) = ( -0.0132605 0.0128332 0.0262813), wk = 0.0025773 k( 4) = ( -0.0198908 0.0192498 0.0394219), wk = 0.0025773 k( 5) = ( -0.0265211 0.0256664 0.0525625), wk = 0.0025773 k( 6) = ( -0.0331514 0.0320830 0.0657032), wk = 0.0025773 k( 7) = ( -0.0397816 0.0384997 0.0788438), wk = 0.0025773 k( 8) = ( -0.0464119 0.0449163 0.0919844), wk = 0.0025773 k( 9) = ( -0.0530422 0.0513329 0.1051251), wk = 0.0025773 k( 10) = ( -0.0596725 0.0577495 0.1182657), wk = 0.0025773 k( 11) = ( -0.0663027 0.0641661 0.1314063), wk = 0.0025773 k( 12) = ( -0.0729330 0.0705827 0.1445470), wk = 0.0025773 k( 13) = ( -0.0795633 0.0769993 0.1576876), wk = 0.0025773 k( 14) = ( -0.0861935 0.0834159 0.1708282), wk = 0.0025773 k( 15) = ( -0.0928238 0.0898325 0.1839689), wk = 0.0025773 k( 16) = ( -0.0994541 0.0962491 0.1971095), wk = 0.0025773 k( 17) = ( -0.1060844 0.1026657 0.2102501), wk = 0.0025773 k( 18) = ( -0.1127146 0.1090824 0.2233908), wk = 0.0025773 k( 19) = ( -0.1193449 0.1154990 0.2365314), wk = 0.0025773 k( 20) = ( -0.1259752 0.1219156 0.2496721), wk = 0.0025773 k( 21) = ( -0.1326055 0.1283322 0.2628127), wk = 0.0025773 k( 22) = ( -0.1392357 0.1347488 0.2759533), wk = 0.0025773 k( 23) = ( -0.1458660 0.1411654 0.2890940), wk = 0.0025773 k( 24) = ( -0.1524963 0.1475820 0.3022346), wk = 0.0025773 k( 25) = ( -0.1591266 0.1539986 0.3153752), wk = 0.0025773 k( 26) = ( -0.1657568 0.1604152 0.3285159), wk = 0.0025773 k( 27) = ( -0.1723871 0.1668318 0.3416565), wk = 0.0025773 k( 28) = ( -0.1790174 0.1732485 0.3547971), wk = 0.0025773 k( 29) = ( -0.1856477 0.1796651 0.3679378), wk = 0.0025773 k( 30) = ( -0.1922779 0.1860817 0.3810784), wk = 0.0025773 k( 31) = ( -0.1989082 0.1924983 0.3942190), wk = 0.0025773 k( 32) = ( -0.2055385 0.1989149 0.4073597), wk = 0.0025773 k( 33) = ( -0.2121687 0.2053315 0.4205003), wk = 0.0025773 k( 34) = ( -0.2187990 0.2117481 0.4336409), wk = 0.0025773 k( 35) = ( -0.2254293 0.2181647 0.4467816), wk = 0.0025773 k( 36) = ( -0.2320596 0.2245813 0.4599222), wk = 0.0025773 k( 37) = ( -0.2386898 0.2309979 0.4730628), wk = 0.0025773 k( 38) = ( -0.2453201 0.2374146 0.4862035), wk = 0.0025773 k( 39) = ( -0.2519504 0.2438312 0.4993441), wk = 0.0025773 k( 40) = ( -0.2585807 0.2502478 0.5124847), wk = 0.0025773 k( 41) = ( -0.2652109 0.2566644 0.5256254), wk = 0.0025773 k( 42) = ( -0.2718412 0.2630810 0.5387660), wk = 0.0025773 k( 43) = ( -0.2784715 0.2694976 0.5519066), wk = 0.0025773 k( 44) = ( -0.2851018 0.2759142 0.5650473), wk = 0.0025773 k( 45) = ( -0.2917320 0.2823308 0.5781879), wk = 0.0025773 k( 46) = ( -0.2983623 0.2887474 0.5913285), wk = 0.0025773 k( 47) = ( -0.3049926 0.2951640 0.6044692), wk = 0.0025773 k( 48) = ( -0.3116229 0.3015806 0.6176098), wk = 0.0025773 k( 49) = ( -0.3182531 0.3079972 0.6307504), wk = 0.0025773 k( 50) = ( -0.3248834 0.3144139 0.6438911), wk = 0.0025773 k( 51) = ( -0.3315137 0.3208305 0.6570317), wk = 0.0025773 k( 52) = ( -0.3381439 0.3272471 0.6701723), wk = 0.0025773 k( 53) = ( -0.3381439 0.3272471 0.6701723), wk = 0.0025773 k( 54) = ( -0.3292418 0.3186318 0.6788709), wk = 0.0025773 k( 55) = ( -0.3203396 0.3100165 0.6875695), wk = 0.0025773 k( 56) = ( -0.3114374 0.3014012 0.6962681), wk = 0.0025773 k( 57) = ( -0.3025352 0.2927859 0.7049667), wk = 0.0025773 k( 58) = ( -0.2936330 0.2841706 0.7136653), wk = 0.0025773 k( 59) = ( -0.2847309 0.2755553 0.7223638), wk = 0.0025773 k( 60) = ( -0.2758287 0.2669400 0.7310624), wk = 0.0025773 k( 61) = ( -0.2669265 0.2583246 0.7397610), wk = 0.0025773 k( 62) = ( -0.2669265 0.2583246 0.7397610), wk = 0.0025773 k( 63) = ( -0.2553210 0.2470931 0.7397610), wk = 0.0025773 k( 64) = ( -0.2437155 0.2358616 0.7397610), wk = 0.0025773 k( 65) = ( -0.2321100 0.2246301 0.7397610), wk = 0.0025773 k( 66) = ( -0.2205045 0.2133986 0.7397610), wk = 0.0025773 k( 67) = ( -0.2088990 0.2021671 0.7397610), wk = 0.0025773 k( 68) = ( -0.1972935 0.1909356 0.7397610), wk = 0.0025773 k( 69) = ( -0.1856880 0.1797041 0.7397610), wk = 0.0025773 k( 70) = ( -0.1740825 0.1684726 0.7397610), wk = 0.0025773 k( 71) = ( -0.1624770 0.1572411 0.7397610), wk = 0.0025773 k( 72) = ( -0.1508715 0.1460096 0.7397610), wk = 0.0025773 k( 73) = ( -0.1392660 0.1347781 0.7397610), wk = 0.0025773 k( 74) = ( -0.1276605 0.1235466 0.7397610), wk = 0.0025773 k( 75) = ( -0.1160550 0.1123151 0.7397610), wk = 0.0025773 k( 76) = ( -0.1044495 0.1010836 0.7397610), wk = 0.0025773 k( 77) = ( -0.0928440 0.0898521 0.7397610), wk = 0.0025773 k( 78) = ( -0.0812385 0.0786205 0.7397610), wk = 0.0025773 k( 79) = ( -0.0696330 0.0673890 0.7397610), wk = 0.0025773 k( 80) = ( -0.0580275 0.0561575 0.7397610), wk = 0.0025773 k( 81) = ( -0.0464220 0.0449260 0.7397610), wk = 0.0025773 k( 82) = ( -0.0348165 0.0336945 0.7397610), wk = 0.0025773 k( 83) = ( -0.0232110 0.0224630 0.7397610), wk = 0.0025773 k( 84) = ( -0.0116055 0.0112315 0.7397610), wk = 0.0025773 k( 85) = ( 0.0000000 0.0000000 0.7397610), wk = 0.0025773 k( 86) = ( 0.0000000 0.0000000 0.7397610), wk = 0.0025773 k( 87) = ( 0.0108696 0.0112315 0.7397610), wk = 0.0025773 k( 88) = ( 0.0217391 0.0224630 0.7397610), wk = 0.0025773 k( 89) = ( 0.0326087 0.0336945 0.7397610), wk = 0.0025773 k( 90) = ( 0.0434783 0.0449260 0.7397610), wk = 0.0025773 k( 91) = ( 0.0543478 0.0561575 0.7397610), wk = 0.0025773 k( 92) = ( 0.0652174 0.0673890 0.7397610), wk = 0.0025773 k( 93) = ( 0.0760870 0.0786205 0.7397610), wk = 0.0025773 k( 94) = ( 0.0869565 0.0898520 0.7397610), wk = 0.0025773 k( 95) = ( 0.0978261 0.1010836 0.7397610), wk = 0.0025773 k( 96) = ( 0.1086957 0.1123151 0.7397610), wk = 0.0025773 k( 97) = ( 0.1195652 0.1235466 0.7397610), wk = 0.0025773 k( 98) = ( 0.1304348 0.1347781 0.7397610), wk = 0.0025773 k( 99) = ( 0.1413043 0.1460096 0.7397610), wk = 0.0025773 k( 100) = ( 0.1521739 0.1572411 0.7397610), wk = 0.0025773 k( 101) = ( 0.1630435 0.1684726 0.7397610), wk = 0.0025773 k( 102) = ( 0.1739130 0.1797041 0.7397610), wk = 0.0025773 k( 103) = ( 0.1847826 0.1909356 0.7397610), wk = 0.0025773 k( 104) = ( 0.1956522 0.2021671 0.7397610), wk = 0.0025773 k( 105) = ( 0.2065217 0.2133986 0.7397610), wk = 0.0025773 k( 106) = ( 0.2173913 0.2246301 0.7397610), wk = 0.0025773 k( 107) = ( 0.2282609 0.2358616 0.7397610), wk = 0.0025773 k( 108) = ( 0.2391304 0.2470931 0.7397610), wk = 0.0025773 k( 109) = ( 0.2500000 0.2583246 0.7397610), wk = 0.0025773 k( 110) = ( 0.2500000 0.2583246 0.7397610), wk = 0.0025773 k( 111) = ( 0.2407407 0.2672855 0.7307135), wk = 0.0025773 k( 112) = ( 0.2314815 0.2762464 0.7216660), wk = 0.0025773 k( 113) = ( 0.2222222 0.2852073 0.7126185), wk = 0.0025773 k( 114) = ( 0.2129630 0.2941681 0.7035710), wk = 0.0025773 k( 115) = ( 0.2037037 0.3031290 0.6945235), wk = 0.0025773 k( 116) = ( 0.1944444 0.3120899 0.6854760), wk = 0.0025773 k( 117) = ( 0.1851852 0.3210508 0.6764285), wk = 0.0025773 k( 118) = ( 0.1759259 0.3300116 0.6673810), wk = 0.0025773 k( 119) = ( 0.1666667 0.3389725 0.6583335), wk = 0.0025773 k( 120) = ( 0.1574074 0.3479334 0.6492860), wk = 0.0025773 k( 121) = ( 0.1481482 0.3568943 0.6402385), wk = 0.0025773 k( 122) = ( 0.1388889 0.3658551 0.6311910), wk = 0.0025773 k( 123) = ( 0.1296296 0.3748160 0.6221435), wk = 0.0025773 k( 124) = ( 0.1203704 0.3837769 0.6130960), wk = 0.0025773 k( 125) = ( 0.1111111 0.3927378 0.6040486), wk = 0.0025773 k( 126) = ( 0.1018518 0.4016986 0.5950011), wk = 0.0025773 k( 127) = ( 0.0925926 0.4106595 0.5859536), wk = 0.0025773 k( 128) = ( 0.0833333 0.4196204 0.5769061), wk = 0.0025773 k( 129) = ( 0.0740741 0.4285813 0.5678586), wk = 0.0025773 k( 130) = ( 0.0648148 0.4375421 0.5588111), wk = 0.0025773 k( 131) = ( 0.0555556 0.4465030 0.5497636), wk = 0.0025773 k( 132) = ( 0.0462963 0.4554639 0.5407161), wk = 0.0025773 k( 133) = ( 0.0370370 0.4644248 0.5316686), wk = 0.0025773 k( 134) = ( 0.0277778 0.4733856 0.5226211), wk = 0.0025773 k( 135) = ( 0.0185185 0.4823465 0.5135736), wk = 0.0025773 k( 136) = ( 0.0092593 0.4913074 0.5045261), wk = 0.0025773 k( 137) = ( 0.0000000 0.5002683 0.4954786), wk = 0.0025773 k( 138) = ( 0.0000000 0.5002683 0.4954786), wk = 0.0025773 k( 139) = ( 0.0130055 0.5069229 0.4887596), wk = 0.0025773 k( 140) = ( 0.0260111 0.5135776 0.4820406), wk = 0.0025773 k( 141) = ( 0.0390166 0.5202323 0.4753216), wk = 0.0025773 k( 142) = ( 0.0520222 0.5268869 0.4686026), wk = 0.0025773 k( 143) = ( 0.0650277 0.5335416 0.4618836), wk = 0.0025773 k( 144) = ( 0.0780332 0.5401962 0.4551646), wk = 0.0025773 k( 145) = ( 0.0910388 0.5468509 0.4484457), wk = 0.0025773 k( 146) = ( 0.1040443 0.5535056 0.4417267), wk = 0.0025773 k( 147) = ( 0.1170498 0.5601602 0.4350077), wk = 0.0025773 k( 148) = ( 0.1300554 0.5668149 0.4282887), wk = 0.0025773 k( 149) = ( 0.1430609 0.5734695 0.4215697), wk = 0.0025773 k( 150) = ( 0.1560664 0.5801242 0.4148507), wk = 0.0025773 k( 151) = ( 0.1690720 0.5867789 0.4081317), wk = 0.0025773 k( 152) = ( 0.1820775 0.5934335 0.4014127), wk = 0.0025773 k( 153) = ( 0.1950831 0.6000882 0.3946937), wk = 0.0025773 k( 154) = ( 0.2080886 0.6067428 0.3879747), wk = 0.0025773 k( 155) = ( 0.2210941 0.6133975 0.3812557), wk = 0.0025773 k( 156) = ( 0.2340996 0.6200522 0.3745368), wk = 0.0025773 k( 157) = ( 0.2471052 0.6267068 0.3678178), wk = 0.0025773 k( 158) = ( 0.2601107 0.6333615 0.3610988), wk = 0.0025773 k( 159) = ( 0.2731163 0.6400161 0.3543798), wk = 0.0025773 k( 160) = ( 0.2861218 0.6466708 0.3476608), wk = 0.0025773 k( 161) = ( 0.2991273 0.6533255 0.3409418), wk = 0.0025773 k( 162) = ( 0.3121329 0.6599801 0.3342228), wk = 0.0025773 k( 163) = ( 0.3251384 0.6666348 0.3275038), wk = 0.0025773 k( 164) = ( 0.3381439 0.6732895 0.3207848), wk = 0.0025773 k( 165) = ( 0.3381439 0.6732895 0.3207848), wk = 0.0025773 k( 166) = ( 0.3446182 0.6670238 0.3079534), wk = 0.0025773 k( 167) = ( 0.3510924 0.6607582 0.2951220), wk = 0.0025773 k( 168) = ( 0.3575667 0.6544926 0.2822907), wk = 0.0025773 k( 169) = ( 0.3640409 0.6482270 0.2694593), wk = 0.0025773 k( 170) = ( 0.3705152 0.6419614 0.2566279), wk = 0.0025773 k( 171) = ( 0.3769894 0.6356958 0.2437965), wk = 0.0025773 k( 172) = ( 0.3834636 0.6294302 0.2309651), wk = 0.0025773 k( 173) = ( 0.3899379 0.6231646 0.2181337), wk = 0.0025773 k( 174) = ( 0.3964121 0.6168990 0.2053023), wk = 0.0025773 k( 175) = ( 0.4028864 0.6106334 0.1924709), wk = 0.0025773 k( 176) = ( 0.4093606 0.6043678 0.1796395), wk = 0.0025773 k( 177) = ( 0.4158348 0.5981022 0.1668081), wk = 0.0025773 k( 178) = ( 0.4223091 0.5918366 0.1539767), wk = 0.0025773 k( 179) = ( 0.4287833 0.5855710 0.1411453), wk = 0.0025773 k( 180) = ( 0.4352576 0.5793054 0.1283139), wk = 0.0025773 k( 181) = ( 0.4417318 0.5730398 0.1154825), wk = 0.0025773 k( 182) = ( 0.4482061 0.5667741 0.1026512), wk = 0.0025773 k( 183) = ( 0.4546803 0.5605085 0.0898198), wk = 0.0025773 k( 184) = ( 0.4611545 0.5542429 0.0769884), wk = 0.0025773 k( 185) = ( 0.4676288 0.5479773 0.0641570), wk = 0.0025773 k( 186) = ( 0.4741030 0.5417117 0.0513256), wk = 0.0025773 k( 187) = ( 0.4805773 0.5354461 0.0384942), wk = 0.0025773 k( 188) = ( 0.4870515 0.5291805 0.0256628), wk = 0.0025773 k( 189) = ( 0.4935258 0.5229149 0.0128314), wk = 0.0025773 k( 190) = ( 0.5000000 0.5166493 -0.0000000), wk = 0.0025773 k( 191) = ( 0.5000000 0.5166493 -0.0000000), wk = 0.0025773 k( 192) = ( 0.4888889 0.5051682 -0.0000000), wk = 0.0025773 k( 193) = ( 0.4777778 0.4936871 -0.0000000), wk = 0.0025773 k( 194) = ( 0.4666667 0.4822060 -0.0000000), wk = 0.0025773 k( 195) = ( 0.4555556 0.4707249 -0.0000000), wk = 0.0025773 k( 196) = ( 0.4444444 0.4592438 -0.0000000), wk = 0.0025773 k( 197) = ( 0.4333333 0.4477627 -0.0000000), wk = 0.0025773 k( 198) = ( 0.4222222 0.4362816 -0.0000000), wk = 0.0025773 k( 199) = ( 0.4111111 0.4248005 -0.0000000), wk = 0.0025773 k( 200) = ( 0.4000000 0.4133194 -0.0000000), wk = 0.0025773 k( 201) = ( 0.3888889 0.4018383 -0.0000000), wk = 0.0025773 k( 202) = ( 0.3777778 0.3903572 -0.0000000), wk = 0.0025773 k( 203) = ( 0.3666667 0.3788762 -0.0000000), wk = 0.0025773 k( 204) = ( 0.3555556 0.3673951 -0.0000000), wk = 0.0025773 k( 205) = ( 0.3444444 0.3559140 -0.0000000), wk = 0.0025773 k( 206) = ( 0.3333333 0.3444329 -0.0000000), wk = 0.0025773 k( 207) = ( 0.3222222 0.3329518 -0.0000000), wk = 0.0025773 k( 208) = ( 0.3111111 0.3214707 -0.0000000), wk = 0.0025773 k( 209) = ( 0.3000000 0.3099896 -0.0000000), wk = 0.0025773 k( 210) = ( 0.2888889 0.2985085 -0.0000000), wk = 0.0025773 k( 211) = ( 0.2777778 0.2870274 -0.0000000), wk = 0.0025773 k( 212) = ( 0.2666667 0.2755463 -0.0000000), wk = 0.0025773 k( 213) = ( 0.2555556 0.2640652 -0.0000000), wk = 0.0025773 k( 214) = ( 0.2444444 0.2525841 -0.0000000), wk = 0.0025773 k( 215) = ( 0.2333333 0.2411030 -0.0000000), wk = 0.0025773 k( 216) = ( 0.2222222 0.2296219 -0.0000000), wk = 0.0025773 k( 217) = ( 0.2111111 0.2181408 -0.0000000), wk = 0.0025773 k( 218) = ( 0.2000000 0.2066597 -0.0000000), wk = 0.0025773 k( 219) = ( 0.1888889 0.1951786 -0.0000000), wk = 0.0025773 k( 220) = ( 0.1777778 0.1836975 -0.0000000), wk = 0.0025773 k( 221) = ( 0.1666667 0.1722164 -0.0000000), wk = 0.0025773 k( 222) = ( 0.1555556 0.1607353 -0.0000000), wk = 0.0025773 k( 223) = ( 0.1444444 0.1492542 -0.0000000), wk = 0.0025773 k( 224) = ( 0.1333333 0.1377731 -0.0000000), wk = 0.0025773 k( 225) = ( 0.1222222 0.1262920 -0.0000000), wk = 0.0025773 k( 226) = ( 0.1111111 0.1148110 -0.0000000), wk = 0.0025773 k( 227) = ( 0.1000000 0.1033299 -0.0000000), wk = 0.0025773 k( 228) = ( 0.0888889 0.0918488 -0.0000000), wk = 0.0025773 k( 229) = ( 0.0777778 0.0803677 -0.0000000), wk = 0.0025773 k( 230) = ( 0.0666667 0.0688866 -0.0000000), wk = 0.0025773 k( 231) = ( 0.0555556 0.0574055 -0.0000000), wk = 0.0025773 k( 232) = ( 0.0444444 0.0459244 -0.0000000), wk = 0.0025773 k( 233) = ( 0.0333333 0.0344433 -0.0000000), wk = 0.0025773 k( 234) = ( 0.0222222 0.0229622 -0.0000000), wk = 0.0025773 k( 235) = ( 0.0111111 0.0114811 -0.0000000), wk = 0.0025773 k( 236) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 237) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 238) = ( 0.0093214 -0.0090210 0.0091082), wk = 0.0025773 k( 239) = ( 0.0186427 -0.0180419 0.0182164), wk = 0.0025773 k( 240) = ( 0.0279641 -0.0270629 0.0273245), wk = 0.0025773 k( 241) = ( 0.0372854 -0.0360839 0.0364327), wk = 0.0025773 k( 242) = ( 0.0466068 -0.0451049 0.0455409), wk = 0.0025773 k( 243) = ( 0.0559282 -0.0541258 0.0546491), wk = 0.0025773 k( 244) = ( 0.0652495 -0.0631468 0.0637572), wk = 0.0025773 k( 245) = ( 0.0745709 -0.0721678 0.0728654), wk = 0.0025773 k( 246) = ( 0.0838922 -0.0811888 0.0819736), wk = 0.0025773 k( 247) = ( 0.0932136 -0.0902097 0.0910818), wk = 0.0025773 k( 248) = ( 0.1025350 -0.0992307 0.1001900), wk = 0.0025773 k( 249) = ( 0.1118563 -0.1082517 0.1092981), wk = 0.0025773 k( 250) = ( 0.1211777 -0.1172727 0.1184063), wk = 0.0025773 k( 251) = ( 0.1304990 -0.1262936 0.1275145), wk = 0.0025773 k( 252) = ( 0.1398204 -0.1353146 0.1366227), wk = 0.0025773 k( 253) = ( 0.1491418 -0.1443356 0.1457308), wk = 0.0025773 k( 254) = ( 0.1584631 -0.1533566 0.1548390), wk = 0.0025773 k( 255) = ( 0.1677845 -0.1623775 0.1639472), wk = 0.0025773 k( 256) = ( 0.1771058 -0.1713985 0.1730554), wk = 0.0025773 k( 257) = ( 0.1864272 -0.1804195 0.1821636), wk = 0.0025773 k( 258) = ( 0.1957486 -0.1894405 0.1912717), wk = 0.0025773 k( 259) = ( 0.2050699 -0.1984614 0.2003799), wk = 0.0025773 k( 260) = ( 0.2143913 -0.2074824 0.2094881), wk = 0.0025773 k( 261) = ( 0.2237126 -0.2165034 0.2185963), wk = 0.0025773 k( 262) = ( 0.2330340 -0.2255243 0.2277044), wk = 0.0025773 k( 263) = ( 0.2423553 -0.2345453 0.2368126), wk = 0.0025773 k( 264) = ( 0.2516767 -0.2435663 0.2459208), wk = 0.0025773 k( 265) = ( 0.2609981 -0.2525873 0.2550290), wk = 0.0025773 k( 266) = ( 0.2703194 -0.2616082 0.2641372), wk = 0.0025773 k( 267) = ( 0.2796408 -0.2706292 0.2732453), wk = 0.0025773 k( 268) = ( 0.2889621 -0.2796502 0.2823535), wk = 0.0025773 k( 269) = ( 0.2982835 -0.2886712 0.2914617), wk = 0.0025773 k( 270) = ( 0.3076049 -0.2976921 0.3005699), wk = 0.0025773 k( 271) = ( 0.3169262 -0.3067131 0.3096780), wk = 0.0025773 k( 272) = ( 0.3262476 -0.3157341 0.3187862), wk = 0.0025773 k( 273) = ( 0.3355689 -0.3247551 0.3278944), wk = 0.0025773 k( 274) = ( 0.3448903 -0.3337760 0.3370026), wk = 0.0025773 k( 275) = ( 0.3542117 -0.3427970 0.3461108), wk = 0.0025773 k( 276) = ( 0.3635330 -0.3518180 0.3552189), wk = 0.0025773 k( 277) = ( 0.3728544 -0.3608390 0.3643271), wk = 0.0025773 k( 278) = ( 0.3821757 -0.3698599 0.3734353), wk = 0.0025773 k( 279) = ( 0.3914971 -0.3788809 0.3825435), wk = 0.0025773 k( 280) = ( 0.4008185 -0.3879019 0.3916516), wk = 0.0025773 k( 281) = ( 0.4101398 -0.3969229 0.4007598), wk = 0.0025773 k( 282) = ( 0.4194612 -0.4059438 0.4098680), wk = 0.0025773 k( 283) = ( 0.4287825 -0.4149648 0.4189762), wk = 0.0025773 k( 284) = ( 0.4287825 -0.4149648 0.4189762), wk = 0.0025773 k( 285) = ( 0.4311565 -0.4005866 0.4131531), wk = 0.0025773 k( 286) = ( 0.4335304 -0.3862084 0.4073299), wk = 0.0025773 k( 287) = ( 0.4359043 -0.3718302 0.4015068), wk = 0.0025773 k( 288) = ( 0.4382782 -0.3574520 0.3956837), wk = 0.0025773 k( 289) = ( 0.4406521 -0.3430738 0.3898606), wk = 0.0025773 k( 290) = ( 0.4430260 -0.3286956 0.3840374), wk = 0.0025773 k( 291) = ( 0.4453999 -0.3143174 0.3782143), wk = 0.0025773 k( 292) = ( 0.4477739 -0.2999393 0.3723912), wk = 0.0025773 k( 293) = ( 0.4501478 -0.2855611 0.3665681), wk = 0.0025773 k( 294) = ( 0.4525217 -0.2711829 0.3607449), wk = 0.0025773 k( 295) = ( 0.4548956 -0.2568047 0.3549218), wk = 0.0025773 k( 296) = ( 0.4572695 -0.2424265 0.3490987), wk = 0.0025773 k( 297) = ( 0.4596434 -0.2280483 0.3432756), wk = 0.0025773 k( 298) = ( 0.4620174 -0.2136701 0.3374524), wk = 0.0025773 k( 299) = ( 0.4643913 -0.1992919 0.3316293), wk = 0.0025773 k( 300) = ( 0.4667652 -0.1849137 0.3258062), wk = 0.0025773 k( 301) = ( 0.4691391 -0.1705355 0.3199831), wk = 0.0025773 k( 302) = ( 0.4715130 -0.1561573 0.3141599), wk = 0.0025773 k( 303) = ( 0.4738869 -0.1417791 0.3083368), wk = 0.0025773 k( 304) = ( 0.4762609 -0.1274009 0.3025137), wk = 0.0025773 k( 305) = ( 0.4786348 -0.1130227 0.2966906), wk = 0.0025773 k( 306) = ( 0.4810087 -0.0986445 0.2908674), wk = 0.0025773 k( 307) = ( 0.4833826 -0.0842663 0.2850443), wk = 0.0025773 k( 308) = ( 0.4857565 -0.0698881 0.2792212), wk = 0.0025773 k( 309) = ( 0.4881304 -0.0555099 0.2733981), wk = 0.0025773 k( 310) = ( 0.4905043 -0.0411318 0.2675749), wk = 0.0025773 k( 311) = ( 0.4928783 -0.0267535 0.2617518), wk = 0.0025773 k( 312) = ( 0.4952522 -0.0123754 0.2559287), wk = 0.0025773 k( 313) = ( 0.4976261 0.0020028 0.2501056), wk = 0.0025773 k( 314) = ( 0.5000000 0.0163810 0.2442824), wk = 0.0025773 k( 315) = ( 0.5000000 0.0163810 0.2442824), wk = 0.0025773 k( 316) = ( 0.4934211 0.0227480 0.2573214), wk = 0.0025773 k( 317) = ( 0.4868421 0.0291149 0.2703602), wk = 0.0025773 k( 318) = ( 0.4802632 0.0354818 0.2833992), wk = 0.0025773 k( 319) = ( 0.4736842 0.0418488 0.2964381), wk = 0.0025773 k( 320) = ( 0.4671053 0.0482157 0.3094770), wk = 0.0025773 k( 321) = ( 0.4605263 0.0545826 0.3225159), wk = 0.0025773 k( 322) = ( 0.4539474 0.0609496 0.3355548), wk = 0.0025773 k( 323) = ( 0.4473684 0.0673165 0.3485937), wk = 0.0025773 k( 324) = ( 0.4407895 0.0736835 0.3616326), wk = 0.0025773 k( 325) = ( 0.4342105 0.0800504 0.3746715), wk = 0.0025773 k( 326) = ( 0.4276316 0.0864173 0.3877104), wk = 0.0025773 k( 327) = ( 0.4210526 0.0927843 0.4007494), wk = 0.0025773 k( 328) = ( 0.4144737 0.0991512 0.4137883), wk = 0.0025773 k( 329) = ( 0.4078947 0.1055181 0.4268272), wk = 0.0025773 k( 330) = ( 0.4013158 0.1118851 0.4398661), wk = 0.0025773 k( 331) = ( 0.3947368 0.1182520 0.4529050), wk = 0.0025773 k( 332) = ( 0.3881579 0.1246190 0.4659439), wk = 0.0025773 k( 333) = ( 0.3815789 0.1309859 0.4789828), wk = 0.0025773 k( 334) = ( 0.3750000 0.1373528 0.4920217), wk = 0.0025773 k( 335) = ( 0.3684211 0.1437198 0.5050606), wk = 0.0025773 k( 336) = ( 0.3618421 0.1500867 0.5180995), wk = 0.0025773 k( 337) = ( 0.3552632 0.1564536 0.5311385), wk = 0.0025773 k( 338) = ( 0.3486842 0.1628206 0.5441774), wk = 0.0025773 k( 339) = ( 0.3421053 0.1691875 0.5572163), wk = 0.0025773 k( 340) = ( 0.3355263 0.1755545 0.5702552), wk = 0.0025773 k( 341) = ( 0.3289474 0.1819214 0.5832941), wk = 0.0025773 k( 342) = ( 0.3223684 0.1882883 0.5963330), wk = 0.0025773 k( 343) = ( 0.3157895 0.1946553 0.6093719), wk = 0.0025773 k( 344) = ( 0.3092105 0.2010222 0.6224108), wk = 0.0025773 k( 345) = ( 0.3026316 0.2073891 0.6354497), wk = 0.0025773 k( 346) = ( 0.2960526 0.2137561 0.6484886), wk = 0.0025773 k( 347) = ( 0.2894737 0.2201230 0.6615276), wk = 0.0025773 k( 348) = ( 0.2828947 0.2264900 0.6745665), wk = 0.0025773 k( 349) = ( 0.2763158 0.2328569 0.6876054), wk = 0.0025773 k( 350) = ( 0.2697368 0.2392238 0.7006443), wk = 0.0025773 k( 351) = ( 0.2631579 0.2455908 0.7136832), wk = 0.0025773 k( 352) = ( 0.2565789 0.2519577 0.7267221), wk = 0.0025773 k( 353) = ( 0.2500000 0.2583246 0.7397610), wk = 0.0025773 k( 354) = ( 0.2669265 -0.2583246 0.7397610), wk = 0.0025773 k( 355) = ( 0.2734007 -0.2645903 0.7269296), wk = 0.0025773 k( 356) = ( 0.2798750 -0.2708559 0.7140982), wk = 0.0025773 k( 357) = ( 0.2863492 -0.2771215 0.7012668), wk = 0.0025773 k( 358) = ( 0.2928235 -0.2833871 0.6884355), wk = 0.0025773 k( 359) = ( 0.2992977 -0.2896527 0.6756040), wk = 0.0025773 k( 360) = ( 0.3057720 -0.2959183 0.6627727), wk = 0.0025773 k( 361) = ( 0.3122462 -0.3021839 0.6499413), wk = 0.0025773 k( 362) = ( 0.3187204 -0.3084495 0.6371099), wk = 0.0025773 k( 363) = ( 0.3251947 -0.3147151 0.6242785), wk = 0.0025773 k( 364) = ( 0.3316689 -0.3209807 0.6114471), wk = 0.0025773 k( 365) = ( 0.3381432 -0.3272463 0.5986157), wk = 0.0025773 k( 366) = ( 0.3446174 -0.3335119 0.5857843), wk = 0.0025773 k( 367) = ( 0.3510916 -0.3397775 0.5729529), wk = 0.0025773 k( 368) = ( 0.3575659 -0.3460431 0.5601215), wk = 0.0025773 k( 369) = ( 0.3640401 -0.3523087 0.5472901), wk = 0.0025773 k( 370) = ( 0.3705144 -0.3585743 0.5344587), wk = 0.0025773 k( 371) = ( 0.3769886 -0.3648400 0.5216273), wk = 0.0025773 k( 372) = ( 0.3834629 -0.3711056 0.5087959), wk = 0.0025773 k( 373) = ( 0.3899371 -0.3773712 0.4959645), wk = 0.0025773 k( 374) = ( 0.3964113 -0.3836368 0.4831331), wk = 0.0025773 k( 375) = ( 0.4028856 -0.3899024 0.4703018), wk = 0.0025773 k( 376) = ( 0.4093598 -0.3961680 0.4574704), wk = 0.0025773 k( 377) = ( 0.4158341 -0.4024336 0.4446390), wk = 0.0025773 k( 378) = ( 0.4223083 -0.4086992 0.4318076), wk = 0.0025773 k( 379) = ( 0.4287825 -0.4149648 0.4189762), wk = 0.0025773 k( 380) = ( 0.5712175 0.4477269 0.0695887), wk = 0.0025773 k( 381) = ( 0.5623153 0.4563422 0.0608901), wk = 0.0025773 k( 382) = ( 0.5534131 0.4649575 0.0521915), wk = 0.0025773 k( 383) = ( 0.5445109 0.4735728 0.0434929), wk = 0.0025773 k( 384) = ( 0.5356087 0.4821881 0.0347943), wk = 0.0025773 k( 385) = ( 0.5267065 0.4908034 0.0260958), wk = 0.0025773 k( 386) = ( 0.5178044 0.4994187 0.0173972), wk = 0.0025773 k( 387) = ( 0.5089022 0.5080340 0.0086986), wk = 0.0025773 k( 388) = ( 0.5000000 0.5166493 -0.0000000), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( -0.0066303 0.0066303 0.0066303), wk = 0.0025773 k( 3) = ( -0.0132605 0.0132605 0.0132605), wk = 0.0025773 k( 4) = ( -0.0198908 0.0198908 0.0198908), wk = 0.0025773 k( 5) = ( -0.0265211 0.0265211 0.0265211), wk = 0.0025773 k( 6) = ( -0.0331514 0.0331514 0.0331514), wk = 0.0025773 k( 7) = ( -0.0397816 0.0397816 0.0397816), wk = 0.0025773 k( 8) = ( -0.0464119 0.0464119 0.0464119), wk = 0.0025773 k( 9) = ( -0.0530422 0.0530422 0.0530422), wk = 0.0025773 k( 10) = ( -0.0596725 0.0596725 0.0596725), wk = 0.0025773 k( 11) = ( -0.0663027 0.0663027 0.0663027), wk = 0.0025773 k( 12) = ( -0.0729330 0.0729330 0.0729330), wk = 0.0025773 k( 13) = ( -0.0795633 0.0795633 0.0795633), wk = 0.0025773 k( 14) = ( -0.0861935 0.0861935 0.0861936), wk = 0.0025773 k( 15) = ( -0.0928238 0.0928238 0.0928238), wk = 0.0025773 k( 16) = ( -0.0994541 0.0994541 0.0994541), wk = 0.0025773 k( 17) = ( -0.1060844 0.1060844 0.1060844), wk = 0.0025773 k( 18) = ( -0.1127146 0.1127146 0.1127147), wk = 0.0025773 k( 19) = ( -0.1193449 0.1193449 0.1193449), wk = 0.0025773 k( 20) = ( -0.1259752 0.1259752 0.1259752), wk = 0.0025773 k( 21) = ( -0.1326055 0.1326055 0.1326055), wk = 0.0025773 k( 22) = ( -0.1392357 0.1392357 0.1392357), wk = 0.0025773 k( 23) = ( -0.1458660 0.1458660 0.1458660), wk = 0.0025773 k( 24) = ( -0.1524963 0.1524963 0.1524963), wk = 0.0025773 k( 25) = ( -0.1591266 0.1591266 0.1591266), wk = 0.0025773 k( 26) = ( -0.1657568 0.1657568 0.1657568), wk = 0.0025773 k( 27) = ( -0.1723871 0.1723871 0.1723871), wk = 0.0025773 k( 28) = ( -0.1790174 0.1790174 0.1790174), wk = 0.0025773 k( 29) = ( -0.1856477 0.1856477 0.1856477), wk = 0.0025773 k( 30) = ( -0.1922779 0.1922779 0.1922779), wk = 0.0025773 k( 31) = ( -0.1989082 0.1989082 0.1989082), wk = 0.0025773 k( 32) = ( -0.2055385 0.2055385 0.2055385), wk = 0.0025773 k( 33) = ( -0.2121687 0.2121687 0.2121687), wk = 0.0025773 k( 34) = ( -0.2187990 0.2187990 0.2187990), wk = 0.0025773 k( 35) = ( -0.2254293 0.2254293 0.2254293), wk = 0.0025773 k( 36) = ( -0.2320596 0.2320596 0.2320596), wk = 0.0025773 k( 37) = ( -0.2386898 0.2386898 0.2386898), wk = 0.0025773 k( 38) = ( -0.2453201 0.2453201 0.2453201), wk = 0.0025773 k( 39) = ( -0.2519504 0.2519504 0.2519504), wk = 0.0025773 k( 40) = ( -0.2585807 0.2585807 0.2585807), wk = 0.0025773 k( 41) = ( -0.2652109 0.2652109 0.2652109), wk = 0.0025773 k( 42) = ( -0.2718412 0.2718412 0.2718412), wk = 0.0025773 k( 43) = ( -0.2784715 0.2784715 0.2784715), wk = 0.0025773 k( 44) = ( -0.2851018 0.2851018 0.2851018), wk = 0.0025773 k( 45) = ( -0.2917320 0.2917320 0.2917320), wk = 0.0025773 k( 46) = ( -0.2983623 0.2983623 0.2983623), wk = 0.0025773 k( 47) = ( -0.3049926 0.3049926 0.3049926), wk = 0.0025773 k( 48) = ( -0.3116229 0.3116229 0.3116229), wk = 0.0025773 k( 49) = ( -0.3182531 0.3182531 0.3182531), wk = 0.0025773 k( 50) = ( -0.3248834 0.3248834 0.3248834), wk = 0.0025773 k( 51) = ( -0.3315137 0.3315137 0.3315137), wk = 0.0025773 k( 52) = ( -0.3381439 0.3381439 0.3381439), wk = 0.0025773 k( 53) = ( -0.3381439 0.3381439 0.3381439), wk = 0.0025773 k( 54) = ( -0.3292418 0.3292418 0.3470461), wk = 0.0025773 k( 55) = ( -0.3203396 0.3203396 0.3559483), wk = 0.0025773 k( 56) = ( -0.3114374 0.3114374 0.3648505), wk = 0.0025773 k( 57) = ( -0.3025352 0.3025352 0.3737527), wk = 0.0025773 k( 58) = ( -0.2936330 0.2936330 0.3826549), wk = 0.0025773 k( 59) = ( -0.2847309 0.2847309 0.3915570), wk = 0.0025773 k( 60) = ( -0.2758287 0.2758287 0.4004592), wk = 0.0025773 k( 61) = ( -0.2669265 0.2669265 0.4093614), wk = 0.0025773 k( 62) = ( -0.2669265 0.2669265 0.4093614), wk = 0.0025773 k( 63) = ( -0.2553210 0.2553210 0.4133022), wk = 0.0025773 k( 64) = ( -0.2437155 0.2437155 0.4172430), wk = 0.0025773 k( 65) = ( -0.2321100 0.2321100 0.4211838), wk = 0.0025773 k( 66) = ( -0.2205045 0.2205045 0.4251246), wk = 0.0025773 k( 67) = ( -0.2088990 0.2088990 0.4290654), wk = 0.0025773 k( 68) = ( -0.1972935 0.1972935 0.4330063), wk = 0.0025773 k( 69) = ( -0.1856880 0.1856880 0.4369471), wk = 0.0025773 k( 70) = ( -0.1740825 0.1740825 0.4408879), wk = 0.0025773 k( 71) = ( -0.1624770 0.1624770 0.4448287), wk = 0.0025773 k( 72) = ( -0.1508715 0.1508715 0.4487695), wk = 0.0025773 k( 73) = ( -0.1392660 0.1392660 0.4527103), wk = 0.0025773 k( 74) = ( -0.1276605 0.1276605 0.4566511), wk = 0.0025773 k( 75) = ( -0.1160550 0.1160550 0.4605919), wk = 0.0025773 k( 76) = ( -0.1044495 0.1044495 0.4645327), wk = 0.0025773 k( 77) = ( -0.0928440 0.0928440 0.4684735), wk = 0.0025773 k( 78) = ( -0.0812385 0.0812385 0.4724143), wk = 0.0025773 k( 79) = ( -0.0696330 0.0696330 0.4763552), wk = 0.0025773 k( 80) = ( -0.0580275 0.0580275 0.4802960), wk = 0.0025773 k( 81) = ( -0.0464220 0.0464220 0.4842368), wk = 0.0025773 k( 82) = ( -0.0348165 0.0348165 0.4881776), wk = 0.0025773 k( 83) = ( -0.0232110 0.0232110 0.4921184), wk = 0.0025773 k( 84) = ( -0.0116055 0.0116055 0.4960592), wk = 0.0025773 k( 85) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 86) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 87) = ( 0.0108696 0.0108696 0.4891304), wk = 0.0025773 k( 88) = ( 0.0217391 0.0217391 0.4782609), wk = 0.0025773 k( 89) = ( 0.0326087 0.0326087 0.4673913), wk = 0.0025773 k( 90) = ( 0.0434783 0.0434783 0.4565217), wk = 0.0025773 k( 91) = ( 0.0543478 0.0543478 0.4456522), wk = 0.0025773 k( 92) = ( 0.0652174 0.0652174 0.4347826), wk = 0.0025773 k( 93) = ( 0.0760870 0.0760870 0.4239130), wk = 0.0025773 k( 94) = ( 0.0869565 0.0869565 0.4130435), wk = 0.0025773 k( 95) = ( 0.0978261 0.0978261 0.4021739), wk = 0.0025773 k( 96) = ( 0.1086957 0.1086956 0.3913044), wk = 0.0025773 k( 97) = ( 0.1195652 0.1195652 0.3804348), wk = 0.0025773 k( 98) = ( 0.1304348 0.1304348 0.3695652), wk = 0.0025773 k( 99) = ( 0.1413043 0.1413043 0.3586956), wk = 0.0025773 k( 100) = ( 0.1521739 0.1521739 0.3478261), wk = 0.0025773 k( 101) = ( 0.1630435 0.1630435 0.3369565), wk = 0.0025773 k( 102) = ( 0.1739130 0.1739130 0.3260870), wk = 0.0025773 k( 103) = ( 0.1847826 0.1847826 0.3152174), wk = 0.0025773 k( 104) = ( 0.1956522 0.1956522 0.3043478), wk = 0.0025773 k( 105) = ( 0.2065217 0.2065217 0.2934783), wk = 0.0025773 k( 106) = ( 0.2173913 0.2173913 0.2826087), wk = 0.0025773 k( 107) = ( 0.2282609 0.2282609 0.2717391), wk = 0.0025773 k( 108) = ( 0.2391304 0.2391304 0.2608696), wk = 0.0025773 k( 109) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025773 k( 110) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025773 k( 111) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0025773 k( 112) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0025773 k( 113) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0025773 k( 114) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0025773 k( 115) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0025773 k( 116) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0025773 k( 117) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0025773 k( 118) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0025773 k( 119) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0025773 k( 120) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0025773 k( 121) = ( 0.1481482 0.3518519 0.1481482), wk = 0.0025773 k( 122) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0025773 k( 123) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0025773 k( 124) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0025773 k( 125) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0025773 k( 126) = ( 0.1018518 0.3981481 0.1018519), wk = 0.0025773 k( 127) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0025773 k( 128) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0025773 k( 129) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0025773 k( 130) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0025773 k( 131) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0025773 k( 132) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0025773 k( 133) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0025773 k( 134) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0025773 k( 135) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0025773 k( 136) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0025773 k( 137) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 138) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025773 k( 139) = ( 0.0130055 0.5062252 -0.0130055), wk = 0.0025773 k( 140) = ( 0.0260111 0.5124505 -0.0260111), wk = 0.0025773 k( 141) = ( 0.0390166 0.5186757 -0.0390166), wk = 0.0025773 k( 142) = ( 0.0520222 0.5249009 -0.0520222), wk = 0.0025773 k( 143) = ( 0.0650277 0.5311262 -0.0650277), wk = 0.0025773 k( 144) = ( 0.0780332 0.5373514 -0.0780332), wk = 0.0025773 k( 145) = ( 0.0910388 0.5435766 -0.0910388), wk = 0.0025773 k( 146) = ( 0.1040443 0.5498019 -0.1040443), wk = 0.0025773 k( 147) = ( 0.1170498 0.5560271 -0.1170498), wk = 0.0025773 k( 148) = ( 0.1300554 0.5622523 -0.1300554), wk = 0.0025773 k( 149) = ( 0.1430609 0.5684776 -0.1430609), wk = 0.0025773 k( 150) = ( 0.1560664 0.5747028 -0.1560664), wk = 0.0025773 k( 151) = ( 0.1690720 0.5809280 -0.1690720), wk = 0.0025773 k( 152) = ( 0.1820775 0.5871533 -0.1820775), wk = 0.0025773 k( 153) = ( 0.1950831 0.5933785 -0.1950831), wk = 0.0025773 k( 154) = ( 0.2080886 0.5996037 -0.2080886), wk = 0.0025773 k( 155) = ( 0.2210941 0.6058290 -0.2210941), wk = 0.0025773 k( 156) = ( 0.2340996 0.6120542 -0.2340997), wk = 0.0025773 k( 157) = ( 0.2471052 0.6182794 -0.2471052), wk = 0.0025773 k( 158) = ( 0.2601107 0.6245047 -0.2601107), wk = 0.0025773 k( 159) = ( 0.2731163 0.6307299 -0.2731163), wk = 0.0025773 k( 160) = ( 0.2861218 0.6369551 -0.2861218), wk = 0.0025773 k( 161) = ( 0.2991273 0.6431804 -0.2991273), wk = 0.0025773 k( 162) = ( 0.3121329 0.6494056 -0.3121329), wk = 0.0025773 k( 163) = ( 0.3251384 0.6556308 -0.3251384), wk = 0.0025773 k( 164) = ( 0.3381439 0.6618561 -0.3381439), wk = 0.0025773 k( 165) = ( 0.3381439 0.6618561 -0.3381439), wk = 0.0025773 k( 166) = ( 0.3446182 0.6553818 -0.3446182), wk = 0.0025773 k( 167) = ( 0.3510924 0.6489076 -0.3510924), wk = 0.0025773 k( 168) = ( 0.3575667 0.6424333 -0.3575667), wk = 0.0025773 k( 169) = ( 0.3640409 0.6359591 -0.3640409), wk = 0.0025773 k( 170) = ( 0.3705152 0.6294848 -0.3705152), wk = 0.0025773 k( 171) = ( 0.3769894 0.6230106 -0.3769894), wk = 0.0025773 k( 172) = ( 0.3834636 0.6165364 -0.3834636), wk = 0.0025773 k( 173) = ( 0.3899379 0.6100621 -0.3899379), wk = 0.0025773 k( 174) = ( 0.3964121 0.6035879 -0.3964121), wk = 0.0025773 k( 175) = ( 0.4028864 0.5971136 -0.4028864), wk = 0.0025773 k( 176) = ( 0.4093606 0.5906394 -0.4093606), wk = 0.0025773 k( 177) = ( 0.4158348 0.5841652 -0.4158348), wk = 0.0025773 k( 178) = ( 0.4223091 0.5776909 -0.4223091), wk = 0.0025773 k( 179) = ( 0.4287833 0.5712167 -0.4287833), wk = 0.0025773 k( 180) = ( 0.4352576 0.5647424 -0.4352576), wk = 0.0025773 k( 181) = ( 0.4417318 0.5582682 -0.4417318), wk = 0.0025773 k( 182) = ( 0.4482061 0.5517939 -0.4482061), wk = 0.0025773 k( 183) = ( 0.4546803 0.5453197 -0.4546803), wk = 0.0025773 k( 184) = ( 0.4611545 0.5388454 -0.4611546), wk = 0.0025773 k( 185) = ( 0.4676288 0.5323712 -0.4676288), wk = 0.0025773 k( 186) = ( 0.4741030 0.5258970 -0.4741030), wk = 0.0025773 k( 187) = ( 0.4805773 0.5194227 -0.4805773), wk = 0.0025773 k( 188) = ( 0.4870515 0.5129485 -0.4870515), wk = 0.0025773 k( 189) = ( 0.4935258 0.5064742 -0.4935258), wk = 0.0025773 k( 190) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025773 k( 191) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025773 k( 192) = ( 0.4888889 0.4888889 -0.4888889), wk = 0.0025773 k( 193) = ( 0.4777778 0.4777778 -0.4777778), wk = 0.0025773 k( 194) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0025773 k( 195) = ( 0.4555556 0.4555556 -0.4555556), wk = 0.0025773 k( 196) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0025773 k( 197) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0025773 k( 198) = ( 0.4222222 0.4222222 -0.4222222), wk = 0.0025773 k( 199) = ( 0.4111111 0.4111111 -0.4111111), wk = 0.0025773 k( 200) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0025773 k( 201) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0025773 k( 202) = ( 0.3777778 0.3777778 -0.3777778), wk = 0.0025773 k( 203) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0025773 k( 204) = ( 0.3555556 0.3555556 -0.3555556), wk = 0.0025773 k( 205) = ( 0.3444444 0.3444444 -0.3444444), wk = 0.0025773 k( 206) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0025773 k( 207) = ( 0.3222222 0.3222222 -0.3222222), wk = 0.0025773 k( 208) = ( 0.3111111 0.3111111 -0.3111111), wk = 0.0025773 k( 209) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0025773 k( 210) = ( 0.2888889 0.2888889 -0.2888889), wk = 0.0025773 k( 211) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0025773 k( 212) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0025773 k( 213) = ( 0.2555556 0.2555556 -0.2555556), wk = 0.0025773 k( 214) = ( 0.2444444 0.2444444 -0.2444444), wk = 0.0025773 k( 215) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0025773 k( 216) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0025773 k( 217) = ( 0.2111111 0.2111111 -0.2111111), wk = 0.0025773 k( 218) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0025773 k( 219) = ( 0.1888889 0.1888889 -0.1888889), wk = 0.0025773 k( 220) = ( 0.1777778 0.1777778 -0.1777778), wk = 0.0025773 k( 221) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0025773 k( 222) = ( 0.1555556 0.1555556 -0.1555556), wk = 0.0025773 k( 223) = ( 0.1444444 0.1444444 -0.1444444), wk = 0.0025773 k( 224) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0025773 k( 225) = ( 0.1222222 0.1222222 -0.1222222), wk = 0.0025773 k( 226) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0025773 k( 227) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0025773 k( 228) = ( 0.0888889 0.0888889 -0.0888889), wk = 0.0025773 k( 229) = ( 0.0777778 0.0777778 -0.0777778), wk = 0.0025773 k( 230) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0025773 k( 231) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0025773 k( 232) = ( 0.0444444 0.0444444 -0.0444444), wk = 0.0025773 k( 233) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0025773 k( 234) = ( 0.0222222 0.0222222 -0.0222222), wk = 0.0025773 k( 235) = ( 0.0111111 0.0111111 -0.0111111), wk = 0.0025773 k( 236) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 237) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 238) = ( 0.0093214 -0.0093214 0.0093214), wk = 0.0025773 k( 239) = ( 0.0186427 -0.0186427 0.0186427), wk = 0.0025773 k( 240) = ( 0.0279641 -0.0279641 0.0279641), wk = 0.0025773 k( 241) = ( 0.0372854 -0.0372854 0.0372854), wk = 0.0025773 k( 242) = ( 0.0466068 -0.0466068 0.0466068), wk = 0.0025773 k( 243) = ( 0.0559282 -0.0559282 0.0559282), wk = 0.0025773 k( 244) = ( 0.0652495 -0.0652495 0.0652495), wk = 0.0025773 k( 245) = ( 0.0745709 -0.0745709 0.0745709), wk = 0.0025773 k( 246) = ( 0.0838922 -0.0838922 0.0838922), wk = 0.0025773 k( 247) = ( 0.0932136 -0.0932136 0.0932136), wk = 0.0025773 k( 248) = ( 0.1025350 -0.1025350 0.1025350), wk = 0.0025773 k( 249) = ( 0.1118563 -0.1118563 0.1118563), wk = 0.0025773 k( 250) = ( 0.1211777 -0.1211777 0.1211777), wk = 0.0025773 k( 251) = ( 0.1304990 -0.1304990 0.1304990), wk = 0.0025773 k( 252) = ( 0.1398204 -0.1398204 0.1398204), wk = 0.0025773 k( 253) = ( 0.1491418 -0.1491418 0.1491418), wk = 0.0025773 k( 254) = ( 0.1584631 -0.1584631 0.1584631), wk = 0.0025773 k( 255) = ( 0.1677845 -0.1677845 0.1677845), wk = 0.0025773 k( 256) = ( 0.1771058 -0.1771058 0.1771058), wk = 0.0025773 k( 257) = ( 0.1864272 -0.1864272 0.1864272), wk = 0.0025773 k( 258) = ( 0.1957486 -0.1957486 0.1957486), wk = 0.0025773 k( 259) = ( 0.2050699 -0.2050699 0.2050699), wk = 0.0025773 k( 260) = ( 0.2143913 -0.2143913 0.2143913), wk = 0.0025773 k( 261) = ( 0.2237126 -0.2237126 0.2237126), wk = 0.0025773 k( 262) = ( 0.2330340 -0.2330340 0.2330340), wk = 0.0025773 k( 263) = ( 0.2423553 -0.2423553 0.2423553), wk = 0.0025773 k( 264) = ( 0.2516767 -0.2516767 0.2516767), wk = 0.0025773 k( 265) = ( 0.2609981 -0.2609981 0.2609981), wk = 0.0025773 k( 266) = ( 0.2703194 -0.2703194 0.2703194), wk = 0.0025773 k( 267) = ( 0.2796408 -0.2796408 0.2796408), wk = 0.0025773 k( 268) = ( 0.2889621 -0.2889622 0.2889621), wk = 0.0025773 k( 269) = ( 0.2982835 -0.2982835 0.2982835), wk = 0.0025773 k( 270) = ( 0.3076049 -0.3076049 0.3076049), wk = 0.0025773 k( 271) = ( 0.3169262 -0.3169262 0.3169262), wk = 0.0025773 k( 272) = ( 0.3262476 -0.3262476 0.3262476), wk = 0.0025773 k( 273) = ( 0.3355689 -0.3355689 0.3355690), wk = 0.0025773 k( 274) = ( 0.3448903 -0.3448903 0.3448903), wk = 0.0025773 k( 275) = ( 0.3542117 -0.3542117 0.3542117), wk = 0.0025773 k( 276) = ( 0.3635330 -0.3635330 0.3635330), wk = 0.0025773 k( 277) = ( 0.3728544 -0.3728544 0.3728544), wk = 0.0025773 k( 278) = ( 0.3821757 -0.3821758 0.3821757), wk = 0.0025773 k( 279) = ( 0.3914971 -0.3914971 0.3914971), wk = 0.0025773 k( 280) = ( 0.4008185 -0.4008185 0.4008185), wk = 0.0025773 k( 281) = ( 0.4101398 -0.4101398 0.4101398), wk = 0.0025773 k( 282) = ( 0.4194612 -0.4194612 0.4194612), wk = 0.0025773 k( 283) = ( 0.4287825 -0.4287826 0.4287826), wk = 0.0025773 k( 284) = ( 0.4287825 -0.4287826 0.4287826), wk = 0.0025773 k( 285) = ( 0.4311565 -0.4144898 0.4144898), wk = 0.0025773 k( 286) = ( 0.4335304 -0.4001970 0.4001970), wk = 0.0025773 k( 287) = ( 0.4359043 -0.3859043 0.3859043), wk = 0.0025773 k( 288) = ( 0.4382782 -0.3716115 0.3716115), wk = 0.0025773 k( 289) = ( 0.4406521 -0.3573188 0.3573188), wk = 0.0025773 k( 290) = ( 0.4430260 -0.3430260 0.3430260), wk = 0.0025773 k( 291) = ( 0.4453999 -0.3287333 0.3287333), wk = 0.0025773 k( 292) = ( 0.4477739 -0.3144405 0.3144405), wk = 0.0025773 k( 293) = ( 0.4501478 -0.3001478 0.3001478), wk = 0.0025773 k( 294) = ( 0.4525217 -0.2858550 0.2858550), wk = 0.0025773 k( 295) = ( 0.4548956 -0.2715623 0.2715623), wk = 0.0025773 k( 296) = ( 0.4572695 -0.2572695 0.2572695), wk = 0.0025773 k( 297) = ( 0.4596434 -0.2429768 0.2429768), wk = 0.0025773 k( 298) = ( 0.4620174 -0.2286840 0.2286840), wk = 0.0025773 k( 299) = ( 0.4643913 -0.2143913 0.2143913), wk = 0.0025773 k( 300) = ( 0.4667652 -0.2000985 0.2000985), wk = 0.0025773 k( 301) = ( 0.4691391 -0.1858058 0.1858058), wk = 0.0025773 k( 302) = ( 0.4715130 -0.1715130 0.1715130), wk = 0.0025773 k( 303) = ( 0.4738869 -0.1572203 0.1572203), wk = 0.0025773 k( 304) = ( 0.4762609 -0.1429275 0.1429275), wk = 0.0025773 k( 305) = ( 0.4786348 -0.1286348 0.1286348), wk = 0.0025773 k( 306) = ( 0.4810087 -0.1143420 0.1143420), wk = 0.0025773 k( 307) = ( 0.4833826 -0.1000493 0.1000493), wk = 0.0025773 k( 308) = ( 0.4857565 -0.0857565 0.0857565), wk = 0.0025773 k( 309) = ( 0.4881304 -0.0714638 0.0714638), wk = 0.0025773 k( 310) = ( 0.4905043 -0.0571710 0.0571710), wk = 0.0025773 k( 311) = ( 0.4928783 -0.0428782 0.0428782), wk = 0.0025773 k( 312) = ( 0.4952522 -0.0285855 0.0285855), wk = 0.0025773 k( 313) = ( 0.4976261 -0.0142927 0.0142927), wk = 0.0025773 k( 314) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025773 k( 315) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025773 k( 316) = ( 0.4934211 0.0065790 0.0065789), wk = 0.0025773 k( 317) = ( 0.4868421 0.0131579 0.0131579), wk = 0.0025773 k( 318) = ( 0.4802632 0.0197368 0.0197368), wk = 0.0025773 k( 319) = ( 0.4736842 0.0263158 0.0263158), wk = 0.0025773 k( 320) = ( 0.4671053 0.0328947 0.0328947), wk = 0.0025773 k( 321) = ( 0.4605263 0.0394737 0.0394737), wk = 0.0025773 k( 322) = ( 0.4539474 0.0460526 0.0460526), wk = 0.0025773 k( 323) = ( 0.4473684 0.0526316 0.0526316), wk = 0.0025773 k( 324) = ( 0.4407895 0.0592105 0.0592105), wk = 0.0025773 k( 325) = ( 0.4342105 0.0657895 0.0657895), wk = 0.0025773 k( 326) = ( 0.4276316 0.0723684 0.0723684), wk = 0.0025773 k( 327) = ( 0.4210526 0.0789474 0.0789474), wk = 0.0025773 k( 328) = ( 0.4144737 0.0855263 0.0855263), wk = 0.0025773 k( 329) = ( 0.4078947 0.0921053 0.0921053), wk = 0.0025773 k( 330) = ( 0.4013158 0.0986842 0.0986842), wk = 0.0025773 k( 331) = ( 0.3947368 0.1052632 0.1052632), wk = 0.0025773 k( 332) = ( 0.3881579 0.1118421 0.1118421), wk = 0.0025773 k( 333) = ( 0.3815789 0.1184210 0.1184210), wk = 0.0025773 k( 334) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0025773 k( 335) = ( 0.3684211 0.1315790 0.1315789), wk = 0.0025773 k( 336) = ( 0.3618421 0.1381579 0.1381579), wk = 0.0025773 k( 337) = ( 0.3552632 0.1447368 0.1447368), wk = 0.0025773 k( 338) = ( 0.3486842 0.1513158 0.1513158), wk = 0.0025773 k( 339) = ( 0.3421053 0.1578947 0.1578947), wk = 0.0025773 k( 340) = ( 0.3355263 0.1644737 0.1644737), wk = 0.0025773 k( 341) = ( 0.3289474 0.1710526 0.1710526), wk = 0.0025773 k( 342) = ( 0.3223684 0.1776316 0.1776316), wk = 0.0025773 k( 343) = ( 0.3157895 0.1842105 0.1842105), wk = 0.0025773 k( 344) = ( 0.3092105 0.1907895 0.1907895), wk = 0.0025773 k( 345) = ( 0.3026316 0.1973684 0.1973684), wk = 0.0025773 k( 346) = ( 0.2960526 0.2039474 0.2039474), wk = 0.0025773 k( 347) = ( 0.2894737 0.2105263 0.2105263), wk = 0.0025773 k( 348) = ( 0.2828947 0.2171053 0.2171053), wk = 0.0025773 k( 349) = ( 0.2763158 0.2236842 0.2236842), wk = 0.0025773 k( 350) = ( 0.2697368 0.2302632 0.2302632), wk = 0.0025773 k( 351) = ( 0.2631579 0.2368421 0.2368421), wk = 0.0025773 k( 352) = ( 0.2565789 0.2434211 0.2434210), wk = 0.0025773 k( 353) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025773 k( 354) = ( 0.2669265 -0.2669265 0.5906386), wk = 0.0025773 k( 355) = ( 0.2734007 -0.2734007 0.5841644), wk = 0.0025773 k( 356) = ( 0.2798750 -0.2798750 0.5776901), wk = 0.0025773 k( 357) = ( 0.2863492 -0.2863492 0.5712159), wk = 0.0025773 k( 358) = ( 0.2928235 -0.2928235 0.5647416), wk = 0.0025773 k( 359) = ( 0.2992977 -0.2992977 0.5582674), wk = 0.0025773 k( 360) = ( 0.3057720 -0.3057720 0.5517931), wk = 0.0025773 k( 361) = ( 0.3122462 -0.3122462 0.5453189), wk = 0.0025773 k( 362) = ( 0.3187204 -0.3187204 0.5388447), wk = 0.0025773 k( 363) = ( 0.3251947 -0.3251947 0.5323704), wk = 0.0025773 k( 364) = ( 0.3316689 -0.3316689 0.5258962), wk = 0.0025773 k( 365) = ( 0.3381432 -0.3381432 0.5194219), wk = 0.0025773 k( 366) = ( 0.3446174 -0.3446174 0.5129477), wk = 0.0025773 k( 367) = ( 0.3510916 -0.3510916 0.5064735), wk = 0.0025773 k( 368) = ( 0.3575659 -0.3575659 0.4999992), wk = 0.0025773 k( 369) = ( 0.3640401 -0.3640401 0.4935250), wk = 0.0025773 k( 370) = ( 0.3705144 -0.3705144 0.4870507), wk = 0.0025773 k( 371) = ( 0.3769886 -0.3769886 0.4805765), wk = 0.0025773 k( 372) = ( 0.3834629 -0.3834629 0.4741022), wk = 0.0025773 k( 373) = ( 0.3899371 -0.3899371 0.4676280), wk = 0.0025773 k( 374) = ( 0.3964113 -0.3964113 0.4611538), wk = 0.0025773 k( 375) = ( 0.4028856 -0.4028856 0.4546795), wk = 0.0025773 k( 376) = ( 0.4093598 -0.4093598 0.4482053), wk = 0.0025773 k( 377) = ( 0.4158341 -0.4158341 0.4417310), wk = 0.0025773 k( 378) = ( 0.4223083 -0.4223083 0.4352568), wk = 0.0025773 k( 379) = ( 0.4287825 -0.4287826 0.4287826), wk = 0.0025773 k( 380) = ( 0.5712175 0.4287826 -0.4287826), wk = 0.0025773 k( 381) = ( 0.5623153 0.4376847 -0.4376847), wk = 0.0025773 k( 382) = ( 0.5534131 0.4465869 -0.4465869), wk = 0.0025773 k( 383) = ( 0.5445109 0.4554891 -0.4554891), wk = 0.0025773 k( 384) = ( 0.5356087 0.4643913 -0.4643913), wk = 0.0025773 k( 385) = ( 0.5267065 0.4732935 -0.4732935), wk = 0.0025773 k( 386) = ( 0.5178044 0.4821956 -0.4821956), wk = 0.0025773 k( 387) = ( 0.5089022 0.4910978 -0.4910978), wk = 0.0025773 k( 388) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025773 Dense grid: 59221 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 26109 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 198, 38) NL pseudopotentials 0.15 Mb ( 99, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1645) G-vector shells 0.01 Mb ( 1488) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 198, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.11 Mb ( 96, 2, 38) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Rb2O2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.2 secs Computing kpt #: 9 total cpu time spent up to now is 5.5 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.2 secs Computing kpt #: 12 total cpu time spent up to now is 6.6 secs Computing kpt #: 13 total cpu time spent up to now is 6.9 secs Computing kpt #: 14 total cpu time spent up to now is 7.3 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.0 secs Computing kpt #: 17 total cpu time spent up to now is 8.4 secs Computing kpt #: 18 total cpu time spent up to now is 8.7 secs Computing kpt #: 19 total cpu time spent up to now is 9.1 secs Computing kpt #: 20 total cpu time spent up to now is 9.4 secs Computing kpt #: 21 total cpu time spent up to now is 9.8 secs Computing kpt #: 22 total cpu time spent up to now is 10.1 secs Computing kpt #: 23 total cpu time spent up to now is 10.4 secs Computing kpt #: 24 total cpu time spent up to now is 10.8 secs Computing kpt #: 25 total cpu time spent up to now is 11.1 secs Computing kpt #: 26 total cpu time spent up to now is 11.5 secs Computing kpt #: 27 total cpu time spent up to now is 11.8 secs Computing kpt #: 28 total cpu time spent up to now is 12.2 secs Computing kpt #: 29 total cpu time spent up to now is 12.5 secs Computing kpt #: 30 total cpu time spent up to now is 12.8 secs Computing kpt #: 31 total cpu time spent up to now is 13.2 secs Computing kpt #: 32 total cpu time spent up to now is 13.5 secs Computing kpt #: 33 total cpu time spent up to now is 13.8 secs Computing kpt #: 34 total cpu time spent up to now is 14.2 secs Computing kpt #: 35 total cpu time spent up to now is 14.5 secs Computing kpt #: 36 total cpu time spent up to now is 14.8 secs Computing kpt #: 37 total cpu time spent up to now is 15.2 secs Computing kpt #: 38 total cpu time spent up to now is 15.5 secs Computing kpt #: 39 total cpu time spent up to now is 15.9 secs Computing kpt #: 40 total cpu time spent up to now is 16.3 secs Computing kpt #: 41 total cpu time spent up to now is 16.6 secs Computing kpt #: 42 total cpu time spent up to now is 17.0 secs Computing kpt #: 43 total cpu time spent up to now is 17.4 secs Computing kpt #: 44 total cpu time spent up to now is 17.8 secs Computing kpt #: 45 total cpu time spent up to now is 18.1 secs Computing kpt #: 46 total cpu time spent up to now is 18.4 secs Computing kpt #: 47 total cpu time spent up to now is 18.7 secs Computing kpt #: 48 total cpu time spent up to now is 19.1 secs Computing kpt #: 49 total cpu time spent up to now is 19.4 secs Computing kpt #: 50 total cpu time spent up to now is 19.7 secs Computing kpt #: 51 total cpu time spent up to now is 20.0 secs Computing kpt #: 52 total cpu time spent up to now is 20.4 secs Computing kpt #: 53 total cpu time spent up to now is 20.7 secs Computing kpt #: 54 total cpu time spent up to now is 21.0 secs Computing kpt #: 55 total cpu time spent up to now is 21.3 secs Computing kpt #: 56 total cpu time spent up to now is 21.7 secs Computing kpt #: 57 total cpu time spent up to now is 22.0 secs Computing kpt #: 58 total cpu time spent up to now is 22.4 secs Computing kpt #: 59 total cpu time spent up to now is 22.7 secs Computing kpt #: 60 total cpu time spent up to now is 23.0 secs Computing kpt #: 61 total cpu time spent up to now is 23.4 secs Computing kpt #: 62 total cpu time spent up to now is 23.7 secs Computing kpt #: 63 total cpu time spent up to now is 24.0 secs Computing kpt #: 64 total cpu time spent up to now is 24.4 secs Computing kpt #: 65 total cpu time spent up to now is 24.7 secs Computing kpt #: 66 total cpu time spent up to now is 25.1 secs Computing kpt #: 67 total cpu time spent up to now is 25.4 secs Computing kpt #: 68 total cpu time spent up to now is 25.7 secs Computing kpt #: 69 total cpu time spent up to now is 26.1 secs Computing kpt #: 70 total cpu time spent up to now is 26.4 secs Computing kpt #: 71 total cpu time spent up to now is 26.7 secs Computing kpt #: 72 total cpu time spent up to now is 27.0 secs Computing kpt #: 73 total cpu time spent up to now is 27.4 secs Computing kpt #: 74 total cpu time spent up to now is 27.7 secs Computing kpt #: 75 total cpu time spent up to now is 28.0 secs Computing kpt #: 76 total cpu time spent up to now is 28.3 secs Computing kpt #: 77 total cpu time spent up to now is 28.7 secs Computing kpt #: 78 total cpu time spent up to now is 29.0 secs Computing kpt #: 79 total cpu time spent up to now is 29.3 secs Computing kpt #: 80 total cpu time spent up to now is 29.6 secs Computing kpt #: 81 total cpu time spent up to now is 29.9 secs Computing kpt #: 82 total cpu time spent up to now is 30.2 secs Computing kpt #: 83 total cpu time spent up to now is 30.6 secs Computing kpt #: 84 total cpu time spent up to now is 30.9 secs Computing kpt #: 85 total cpu time spent up to now is 31.2 secs Computing kpt #: 86 total cpu time spent up to now is 31.5 secs Computing kpt #: 87 total cpu time spent up to now is 31.8 secs Computing kpt #: 88 total cpu time spent up to now is 32.2 secs Computing kpt #: 89 total cpu time spent up to now is 32.5 secs Computing kpt #: 90 total cpu time spent up to now is 32.8 secs Computing kpt #: 91 total cpu time spent up to now is 33.3 secs Computing kpt #: 92 total cpu time spent up to now is 33.8 secs Computing kpt #: 93 total cpu time spent up to now is 34.1 secs Computing kpt #: 94 total cpu time spent up to now is 34.5 secs Computing kpt #: 95 total cpu time spent up to now is 34.8 secs Computing kpt #: 96 total cpu time spent up to now is 35.1 secs Computing kpt #: 97 total cpu time spent up to now is 35.4 secs Computing kpt #: 98 total cpu time spent up to now is 35.8 secs Computing kpt #: 99 total cpu time spent up to now is 36.1 secs Computing kpt #: 100 total cpu time spent up to now is 36.4 secs Computing kpt #: 101 total cpu time spent up to now is 36.7 secs Computing kpt #: 102 total cpu time spent up to now is 37.0 secs Computing kpt #: 103 total cpu time spent up to now is 37.3 secs Computing kpt #: 104 total cpu time spent up to now is 37.6 secs Computing kpt #: 105 total cpu time spent up to now is 37.9 secs Computing kpt #: 106 total cpu time spent up to now is 38.2 secs Computing kpt #: 107 total cpu time spent up to now is 38.5 secs Computing kpt #: 108 total cpu time spent up to now is 38.8 secs Computing kpt #: 109 total cpu time spent up to now is 39.1 secs Computing kpt #: 110 total cpu time spent up to now is 39.4 secs Computing kpt #: 111 total cpu time spent up to now is 39.7 secs Computing kpt #: 112 total cpu time spent up to now is 40.0 secs Computing kpt #: 113 total cpu time spent up to now is 40.3 secs Computing kpt #: 114 total cpu time spent up to now is 40.6 secs Computing kpt #: 115 total cpu time spent up to now is 40.9 secs Computing kpt #: 116 total cpu time spent up to now is 41.2 secs Computing kpt #: 117 total cpu time spent up to now is 41.5 secs Computing kpt #: 118 total cpu time spent up to now is 41.8 secs Computing kpt #: 119 total cpu time spent up to now is 42.1 secs Computing kpt #: 120 total cpu time spent up to now is 42.4 secs Computing kpt #: 121 total cpu time spent up to now is 42.7 secs Computing kpt #: 122 total cpu time spent up to now is 43.0 secs Computing kpt #: 123 total cpu time spent up to now is 43.3 secs Computing kpt #: 124 total cpu time spent up to now is 43.7 secs Computing kpt #: 125 total cpu time spent up to now is 44.0 secs Computing kpt #: 126 total cpu time spent up to now is 44.3 secs Computing kpt #: 127 total cpu time spent up to now is 44.6 secs Computing kpt #: 128 total cpu time spent up to now is 44.9 secs Computing kpt #: 129 total cpu time spent up to now is 45.3 secs Computing kpt #: 130 total cpu time spent up to now is 45.6 secs Computing kpt #: 131 total cpu time spent up to now is 45.9 secs Computing kpt #: 132 total cpu time spent up to now is 46.3 secs Computing kpt #: 133 total cpu time spent up to now is 46.6 secs Computing kpt #: 134 total cpu time spent up to now is 47.0 secs Computing kpt #: 135 total cpu time spent up to now is 47.3 secs Computing kpt #: 136 total cpu time spent up to now is 47.7 secs Computing kpt #: 137 total cpu time spent up to now is 48.0 secs Computing kpt #: 138 total cpu time spent up to now is 48.4 secs Computing kpt #: 139 total cpu time spent up to now is 48.7 secs Computing kpt #: 140 total cpu time spent up to now is 49.0 secs Computing kpt #: 141 total cpu time spent up to now is 49.4 secs Computing kpt #: 142 total cpu time spent up to now is 49.7 secs Computing kpt #: 143 total cpu time spent up to now is 50.1 secs Computing kpt #: 144 total cpu time spent up to now is 50.4 secs Computing kpt #: 145 total cpu time spent up to now is 50.8 secs Computing kpt #: 146 total cpu time spent up to now is 51.1 secs Computing kpt #: 147 total cpu time spent up to now is 51.5 secs Computing kpt #: 148 total cpu time spent up to now is 51.8 secs Computing kpt #: 149 total cpu time spent up to now is 52.2 secs Computing kpt #: 150 total cpu time spent up to now is 52.6 secs Computing kpt #: 151 total cpu time spent up to now is 52.9 secs Computing kpt #: 152 total cpu time spent up to now is 53.3 secs Computing kpt #: 153 total cpu time spent up to now is 53.6 secs Computing kpt #: 154 total cpu time spent up to now is 54.0 secs Computing kpt #: 155 total cpu time spent up to now is 54.3 secs Computing kpt #: 156 total cpu time spent up to now is 54.6 secs Computing kpt #: 157 total cpu time spent up to now is 55.0 secs Computing kpt #: 158 total cpu time spent up to now is 55.3 secs Computing kpt #: 159 total cpu time spent up to now is 55.6 secs Computing kpt #: 160 total cpu time spent up to now is 55.9 secs Computing kpt #: 161 total cpu time spent up to now is 56.3 secs Computing kpt #: 162 total cpu time spent up to now is 56.6 secs Computing kpt #: 163 total cpu time spent up to now is 56.9 secs Computing kpt #: 164 total cpu time spent up to now is 57.2 secs Computing kpt #: 165 total cpu time spent up to now is 57.5 secs Computing kpt #: 166 total cpu time spent up to now is 57.9 secs Computing kpt #: 167 total cpu time spent up to now is 58.2 secs Computing kpt #: 168 total cpu time spent up to now is 58.5 secs Computing kpt #: 169 total cpu time spent up to now is 58.8 secs Computing kpt #: 170 total cpu time spent up to now is 59.2 secs Computing kpt #: 171 total cpu time spent up to now is 59.5 secs Computing kpt #: 172 total cpu time spent up to now is 59.9 secs Computing kpt #: 173 total cpu time spent up to now is 60.2 secs Computing kpt #: 174 total cpu time spent up to now is 60.6 secs Computing kpt #: 175 total cpu time spent up to now is 60.9 secs Computing kpt #: 176 total cpu time spent up to now is 61.2 secs Computing kpt #: 177 total cpu time spent up to now is 61.6 secs Computing kpt #: 178 total cpu time spent up to now is 61.9 secs Computing kpt #: 179 total cpu time spent up to now is 62.2 secs Computing kpt #: 180 total cpu time spent up to now is 62.6 secs Computing kpt #: 181 total cpu time spent up to now is 62.9 secs Computing kpt #: 182 total cpu time spent up to now is 63.2 secs Computing kpt #: 183 total cpu time spent up to now is 63.6 secs Computing kpt #: 184 total cpu time spent up to now is 63.9 secs Computing kpt #: 185 total cpu time spent up to now is 64.2 secs Computing kpt #: 186 total cpu time spent up to now is 64.6 secs Computing kpt #: 187 total cpu time spent up to now is 64.9 secs Computing kpt #: 188 total cpu time spent up to now is 65.2 secs Computing kpt #: 189 total cpu time spent up to now is 65.6 secs Computing kpt #: 190 total cpu time spent up to now is 65.9 secs Computing kpt #: 191 total cpu time spent up to now is 66.2 secs Computing kpt #: 192 total cpu time spent up to now is 66.5 secs Computing kpt #: 193 total cpu time spent up to now is 66.9 secs Computing kpt #: 194 total cpu time spent up to now is 67.2 secs Computing kpt #: 195 total cpu time spent up to now is 67.5 secs Computing kpt #: 196 total cpu time spent up to now is 67.8 secs Computing kpt #: 197 total cpu time spent up to now is 68.2 secs Computing kpt #: 198 total cpu time spent up to now is 68.5 secs Computing kpt #: 199 total cpu time spent up to now is 68.9 secs Computing kpt #: 200 total cpu time spent up to now is 69.2 secs Computing kpt #: 201 total cpu time spent up to now is 69.5 secs Computing kpt #: 202 total cpu time spent up to now is 69.9 secs Computing kpt #: 203 total cpu time spent up to now is 70.2 secs Computing kpt #: 204 total cpu time spent up to now is 70.6 secs Computing kpt #: 205 total cpu time spent up to now is 71.0 secs Computing kpt #: 206 total cpu time spent up to now is 71.4 secs Computing kpt #: 207 total cpu time spent up to now is 71.8 secs Computing kpt #: 208 total cpu time spent up to now is 72.2 secs Computing kpt #: 209 total cpu time spent up to now is 72.7 secs Computing kpt #: 210 total cpu time spent up to now is 73.0 secs Computing kpt #: 211 total cpu time spent up to now is 73.5 secs Computing kpt #: 212 total cpu time spent up to now is 73.9 secs Computing kpt #: 213 total cpu time spent up to now is 74.3 secs Computing kpt #: 214 total cpu time spent up to now is 74.7 secs Computing kpt #: 215 total cpu time spent up to now is 75.2 secs Computing kpt #: 216 total cpu time spent up to now is 75.9 secs Computing kpt #: 217 total cpu time spent up to now is 76.3 secs Computing kpt #: 218 total cpu time spent up to now is 76.7 secs Computing kpt #: 219 total cpu time spent up to now is 77.1 secs Computing kpt #: 220 total cpu time spent up to now is 77.5 secs Computing kpt #: 221 total cpu time spent up to now is 77.8 secs Computing kpt #: 222 total cpu time spent up to now is 78.2 secs Computing kpt #: 223 total cpu time spent up to now is 78.5 secs Computing kpt #: 224 total cpu time spent up to now is 78.9 secs Computing kpt #: 225 total cpu time spent up to now is 79.2 secs Computing kpt #: 226 total cpu time spent up to now is 79.6 secs Computing kpt #: 227 total cpu time spent up to now is 79.9 secs Computing kpt #: 228 total cpu time spent up to now is 80.3 secs Computing kpt #: 229 total cpu time spent up to now is 80.6 secs Computing kpt #: 230 total cpu time spent up to now is 81.0 secs Computing kpt #: 231 total cpu time spent up to now is 81.3 secs Computing kpt #: 232 total cpu time spent up to now is 81.7 secs Computing kpt #: 233 total cpu time spent up to now is 82.0 secs Computing kpt #: 234 total cpu time spent up to now is 82.4 secs Computing kpt #: 235 total cpu time spent up to now is 82.7 secs Computing kpt #: 236 total cpu time spent up to now is 83.0 secs Computing kpt #: 237 total cpu time spent up to now is 83.4 secs Computing kpt #: 238 total cpu time spent up to now is 83.7 secs Computing kpt #: 239 total cpu time spent up to now is 84.1 secs Computing kpt #: 240 total cpu time spent up to now is 84.4 secs Computing kpt #: 241 total cpu time spent up to now is 84.8 secs Computing kpt #: 242 total cpu time spent up to now is 85.1 secs Computing kpt #: 243 total cpu time spent up to now is 85.4 secs Computing kpt #: 244 total cpu time spent up to now is 85.8 secs Computing kpt #: 245 total cpu time spent up to now is 86.1 secs Computing kpt #: 246 total cpu time spent up to now is 86.5 secs Computing kpt #: 247 total cpu time spent up to now is 86.8 secs Computing kpt #: 248 total cpu time spent up to now is 87.1 secs Computing kpt #: 249 total cpu time spent up to now is 87.5 secs Computing kpt #: 250 total cpu time spent up to now is 87.8 secs Computing kpt #: 251 total cpu time spent up to now is 88.1 secs Computing kpt #: 252 total cpu time spent up to now is 88.5 secs Computing kpt #: 253 total cpu time spent up to now is 88.8 secs Computing kpt #: 254 total cpu time spent up to now is 89.2 secs Computing kpt #: 255 total cpu time spent up to now is 89.5 secs Computing kpt #: 256 total cpu time spent up to now is 89.9 secs Computing kpt #: 257 total cpu time spent up to now is 90.2 secs Computing kpt #: 258 total cpu time spent up to now is 90.6 secs Computing kpt #: 259 total cpu time spent up to now is 91.0 secs Computing kpt #: 260 total cpu time spent up to now is 91.3 secs Computing kpt #: 261 total cpu time spent up to now is 91.7 secs Computing kpt #: 262 total cpu time spent up to now is 92.0 secs Computing kpt #: 263 total cpu time spent up to now is 92.4 secs Computing kpt #: 264 total cpu time spent up to now is 92.7 secs Computing kpt #: 265 total cpu time spent up to now is 93.1 secs Computing kpt #: 266 total cpu time spent up to now is 93.4 secs Computing kpt #: 267 total cpu time spent up to now is 93.8 secs Computing kpt #: 268 total cpu time spent up to now is 94.1 secs Computing kpt #: 269 total cpu time spent up to now is 94.4 secs Computing kpt #: 270 total cpu time spent up to now is 94.8 secs Computing kpt #: 271 total cpu time spent up to now is 95.1 secs Computing kpt #: 272 total cpu time spent up to now is 95.4 secs Computing kpt #: 273 total cpu time spent up to now is 95.7 secs Computing kpt #: 274 total cpu time spent up to now is 96.1 secs Computing kpt #: 275 total cpu time spent up to now is 96.4 secs Computing kpt #: 276 total cpu time spent up to now is 96.7 secs Computing kpt #: 277 total cpu time spent up to now is 97.0 secs Computing kpt #: 278 total cpu time spent up to now is 97.3 secs Computing kpt #: 279 total cpu time spent up to now is 97.6 secs Computing kpt #: 280 total cpu time spent up to now is 97.9 secs Computing kpt #: 281 total cpu time spent up to now is 98.2 secs Computing kpt #: 282 total cpu time spent up to now is 98.6 secs Computing kpt #: 283 total cpu time spent up to now is 98.9 secs Computing kpt #: 284 total cpu time spent up to now is 99.2 secs Computing kpt #: 285 total cpu time spent up to now is 99.5 secs Computing kpt #: 286 total cpu time spent up to now is 99.8 secs Computing kpt #: 287 total cpu time spent up to now is 100.1 secs Computing kpt #: 288 total cpu time spent up to now is 100.4 secs Computing kpt #: 289 total cpu time spent up to now is 100.7 secs Computing kpt #: 290 total cpu time spent up to now is 101.1 secs Computing kpt #: 291 total cpu time spent up to now is 101.4 secs Computing kpt #: 292 total cpu time spent up to now is 101.7 secs Computing kpt #: 293 total cpu time spent up to now is 102.0 secs Computing kpt #: 294 total cpu time spent up to now is 102.4 secs Computing kpt #: 295 total cpu time spent up to now is 102.7 secs Computing kpt #: 296 total cpu time spent up to now is 103.0 secs Computing kpt #: 297 total cpu time spent up to now is 103.3 secs Computing kpt #: 298 total cpu time spent up to now is 103.7 secs Computing kpt #: 299 total cpu time spent up to now is 104.0 secs Computing kpt #: 300 total cpu time spent up to now is 104.3 secs Computing kpt #: 301 total cpu time spent up to now is 104.7 secs Computing kpt #: 302 total cpu time spent up to now is 105.0 secs Computing kpt #: 303 total cpu time spent up to now is 105.4 secs Computing kpt #: 304 total cpu time spent up to now is 105.8 secs Computing kpt #: 305 total cpu time spent up to now is 106.1 secs Computing kpt #: 306 total cpu time spent up to now is 106.5 secs Computing kpt #: 307 total cpu time spent up to now is 106.8 secs Computing kpt #: 308 total cpu time spent up to now is 107.1 secs Computing kpt #: 309 total cpu time spent up to now is 107.5 secs Computing kpt #: 310 total cpu time spent up to now is 107.8 secs Computing kpt #: 311 total cpu time spent up to now is 108.1 secs Computing kpt #: 312 total cpu time spent up to now is 108.5 secs Computing kpt #: 313 total cpu time spent up to now is 108.8 secs Computing kpt #: 314 total cpu time spent up to now is 109.1 secs Computing kpt #: 315 total cpu time spent up to now is 109.5 secs Computing kpt #: 316 total cpu time spent up to now is 109.8 secs Computing kpt #: 317 total cpu time spent up to now is 110.1 secs Computing kpt #: 318 total cpu time spent up to now is 110.5 secs Computing kpt #: 319 total cpu time spent up to now is 110.8 secs Computing kpt #: 320 total cpu time spent up to now is 111.1 secs Computing kpt #: 321 total cpu time spent up to now is 111.5 secs Computing kpt #: 322 total cpu time spent up to now is 111.8 secs Computing kpt #: 323 total cpu time spent up to now is 112.1 secs Computing kpt #: 324 total cpu time spent up to now is 112.5 secs Computing kpt #: 325 total cpu time spent up to now is 112.8 secs Computing kpt #: 326 total cpu time spent up to now is 113.1 secs Computing kpt #: 327 total cpu time spent up to now is 113.5 secs Computing kpt #: 328 total cpu time spent up to now is 113.8 secs Computing kpt #: 329 total cpu time spent up to now is 114.1 secs Computing kpt #: 330 total cpu time spent up to now is 114.5 secs Computing kpt #: 331 total cpu time spent up to now is 114.8 secs Computing kpt #: 332 total cpu time spent up to now is 115.2 secs Computing kpt #: 333 total cpu time spent up to now is 115.5 secs Computing kpt #: 334 total cpu time spent up to now is 115.9 secs Computing kpt #: 335 total cpu time spent up to now is 116.2 secs Computing kpt #: 336 total cpu time spent up to now is 116.5 secs Computing kpt #: 337 total cpu time spent up to now is 116.9 secs Computing kpt #: 338 total cpu time spent up to now is 117.2 secs Computing kpt #: 339 total cpu time spent up to now is 117.5 secs Computing kpt #: 340 total cpu time spent up to now is 117.8 secs Computing kpt #: 341 total cpu time spent up to now is 118.1 secs Computing kpt #: 342 total cpu time spent up to now is 118.5 secs Computing kpt #: 343 total cpu time spent up to now is 118.8 secs Computing kpt #: 344 total cpu time spent up to now is 119.1 secs Computing kpt #: 345 total cpu time spent up to now is 119.4 secs Computing kpt #: 346 total cpu time spent up to now is 119.7 secs Computing kpt #: 347 total cpu time spent up to now is 120.0 secs Computing kpt #: 348 total cpu time spent up to now is 120.3 secs Computing kpt #: 349 total cpu time spent up to now is 120.6 secs Computing kpt #: 350 total cpu time spent up to now is 120.9 secs Computing kpt #: 351 total cpu time spent up to now is 121.2 secs Computing kpt #: 352 total cpu time spent up to now is 121.5 secs Computing kpt #: 353 total cpu time spent up to now is 121.8 secs Computing kpt #: 354 total cpu time spent up to now is 122.1 secs Computing kpt #: 355 total cpu time spent up to now is 122.4 secs Computing kpt #: 356 total cpu time spent up to now is 122.8 secs Computing kpt #: 357 total cpu time spent up to now is 123.1 secs Computing kpt #: 358 total cpu time spent up to now is 123.5 secs Computing kpt #: 359 total cpu time spent up to now is 123.8 secs Computing kpt #: 360 total cpu time spent up to now is 124.1 secs Computing kpt #: 361 total cpu time spent up to now is 124.4 secs Computing kpt #: 362 total cpu time spent up to now is 124.8 secs Computing kpt #: 363 total cpu time spent up to now is 125.1 secs Computing kpt #: 364 total cpu time spent up to now is 125.4 secs Computing kpt #: 365 total cpu time spent up to now is 125.8 secs Computing kpt #: 366 total cpu time spent up to now is 126.1 secs Computing kpt #: 367 total cpu time spent up to now is 126.4 secs Computing kpt #: 368 total cpu time spent up to now is 126.7 secs Computing kpt #: 369 total cpu time spent up to now is 127.0 secs Computing kpt #: 370 total cpu time spent up to now is 127.4 secs Computing kpt #: 371 total cpu time spent up to now is 127.7 secs Computing kpt #: 372 total cpu time spent up to now is 128.0 secs Computing kpt #: 373 total cpu time spent up to now is 128.3 secs Computing kpt #: 374 total cpu time spent up to now is 128.6 secs Computing kpt #: 375 total cpu time spent up to now is 128.9 secs Computing kpt #: 376 total cpu time spent up to now is 129.2 secs Computing kpt #: 377 total cpu time spent up to now is 129.6 secs Computing kpt #: 378 total cpu time spent up to now is 129.9 secs Computing kpt #: 379 total cpu time spent up to now is 130.2 secs Computing kpt #: 380 total cpu time spent up to now is 130.5 secs Computing kpt #: 381 total cpu time spent up to now is 130.8 secs Computing kpt #: 382 total cpu time spent up to now is 131.1 secs Computing kpt #: 383 total cpu time spent up to now is 131.4 secs Computing kpt #: 384 total cpu time spent up to now is 131.7 secs Computing kpt #: 385 total cpu time spent up to now is 132.1 secs Computing kpt #: 386 total cpu time spent up to now is 132.4 secs Computing kpt #: 387 total cpu time spent up to now is 132.7 secs Computing kpt #: 388 total cpu time spent up to now is 133.0 secs ethr = 3.33E-08, avg # of iterations = 18.4 total cpu time spent up to now is 133.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3259 PWs) bands (ev): -20.9252 -20.9252 -20.6457 -20.6457 -14.2931 -14.2931 -8.2897 -8.2897 -5.8295 -5.8295 -5.2094 -5.2094 -5.1153 -5.1153 -4.7588 -4.7588 -4.3702 -4.3702 -4.2167 -4.2167 0.7145 0.7145 2.1683 2.1683 2.2109 2.2109 5.5278 5.5278 6.0404 6.0404 7.9317 7.9317 9.1457 9.1457 10.4026 10.4026 11.5441 11.5441 k =-0.0066 0.0064 0.0131 ( 3261 PWs) bands (ev): -20.9250 -20.9250 -20.6457 -20.6457 -14.2932 -14.2932 -8.2897 -8.2897 -5.8295 -5.8295 -5.2096 -5.2096 -5.1152 -5.1152 -4.7592 -4.7592 -4.3702 -4.3702 -4.2169 -4.2169 0.7145 0.7145 2.1685 2.1685 2.2113 2.2113 5.5274 5.5274 6.0400 6.0400 7.9346 7.9346 9.1471 9.1471 10.4041 10.4041 11.5458 11.5458 k =-0.0133 0.0128 0.0263 ( 3261 PWs) bands (ev): -20.9247 -20.9247 -20.6458 -20.6458 -14.2935 -14.2935 -8.2897 -8.2897 -5.8296 -5.8296 -5.2104 -5.2104 -5.1148 -5.1148 -4.7605 -4.7605 -4.3704 -4.3704 -4.2177 -4.2177 0.7144 0.7144 2.1691 2.1691 2.2124 2.2124 5.5263 5.5263 6.0388 6.0388 7.9434 7.9434 9.1510 9.1510 10.4085 10.4085 11.5510 11.5510 k =-0.0199 0.0192 0.0394 ( 3257 PWs) bands (ev): -20.9241 -20.9241 -20.6460 -20.6460 -14.2941 -14.2941 -8.2898 -8.2898 -5.8296 -5.8296 -5.2117 -5.2117 -5.1142 -5.1142 -4.7626 -4.7626 -4.3706 -4.3706 -4.2190 -4.2190 0.7144 0.7144 2.1699 2.1699 2.2143 2.2143 5.5244 5.5244 6.0370 6.0370 7.9579 7.9579 9.1575 9.1575 10.4159 10.4159 11.5597 11.5597 k =-0.0265 0.0257 0.0526 ( 3257 PWs) bands (ev): -20.9232 -20.9232 -20.6462 -20.6462 -14.2949 -14.2949 -8.2899 -8.2899 -5.8297 -5.8297 -5.2135 -5.2135 -5.1133 -5.1133 -4.7656 -4.7656 -4.3710 -4.3710 -4.2208 -4.2208 0.7143 0.7143 2.1710 2.1710 2.2172 2.2172 5.5218 5.5218 6.0343 6.0343 7.9780 7.9780 9.1666 9.1666 10.4262 10.4262 11.5719 11.5719 k =-0.0332 0.0321 0.0657 ( 3253 PWs) bands (ev): -20.9221 -20.9221 -20.6465 -20.6465 -14.2959 -14.2959 -8.2900 -8.2900 -5.8298 -5.8298 -5.2157 -5.2157 -5.1122 -5.1122 -4.7693 -4.7693 -4.3715 -4.3715 -4.2230 -4.2230 0.7143 0.7143 2.1721 2.1721 2.2210 2.2210 5.5186 5.5186 6.0310 6.0310 8.0036 8.0036 9.1782 9.1782 10.4393 10.4393 11.5876 11.5876 k =-0.0398 0.0385 0.0788 ( 3257 PWs) bands (ev): -20.9208 -20.9208 -20.6469 -20.6469 -14.2971 -14.2971 -8.2902 -8.2902 -5.8300 -5.8300 -5.2183 -5.2183 -5.1110 -5.1110 -4.7738 -4.7738 -4.3723 -4.3723 -4.2257 -4.2257 0.7142 0.7142 2.1733 2.1733 2.2259 2.2259 5.5147 5.5147 6.0269 6.0269 8.0346 8.0346 9.1920 9.1920 10.4553 10.4553 11.6067 11.6067 k =-0.0464 0.0449 0.0920 ( 3261 PWs) bands (ev): -20.9192 -20.9192 -20.6474 -20.6474 -14.2985 -14.2985 -8.2904 -8.2904 -5.8303 -5.8303 -5.2212 -5.2212 -5.1095 -5.1095 -4.7789 -4.7789 -4.3732 -4.3732 -4.2287 -4.2287 0.7142 0.7142 2.1744 2.1744 2.2319 2.2319 5.5103 5.5103 6.0222 6.0222 8.0706 8.0706 9.2081 9.2081 10.4740 10.4740 11.6292 11.6292 k =-0.0530 0.0513 0.1051 ( 3275 PWs) bands (ev): -20.9174 -20.9174 -20.6479 -20.6479 -14.3002 -14.3002 -8.2907 -8.2907 -5.8306 -5.8306 -5.2244 -5.2244 -5.1079 -5.1079 -4.7847 -4.7847 -4.3745 -4.3745 -4.2321 -4.2321 0.7142 0.7142 2.1755 2.1755 2.2389 2.2389 5.5054 5.5054 6.0167 6.0167 8.1113 8.1113 9.2263 9.2263 10.4953 10.4953 11.6551 11.6551 k =-0.0597 0.0577 0.1183 ( 3267 PWs) bands (ev): -20.9154 -20.9154 -20.6485 -20.6485 -14.3020 -14.3020 -8.2910 -8.2910 -5.8309 -5.8309 -5.2278 -5.2278 -5.1062 -5.1062 -4.7910 -4.7910 -4.3761 -4.3761 -4.2357 -4.2357 0.7144 0.7144 2.1766 2.1766 2.2469 2.2469 5.5001 5.5001 6.0106 6.0106 8.1566 8.1566 9.2465 9.2465 10.5192 10.5192 11.6844 11.6844 k =-0.0663 0.0642 0.1314 ( 3269 PWs) bands (ev): -20.9132 -20.9132 -20.6492 -20.6492 -14.3040 -14.3040 -8.2914 -8.2914 -5.8314 -5.8314 -5.2314 -5.2314 -5.1044 -5.1044 -4.7977 -4.7977 -4.3781 -4.3781 -4.2395 -4.2395 0.7146 0.7146 2.1779 2.1779 2.2557 2.2557 5.4944 5.4944 6.0039 6.0039 8.2060 8.2060 9.2684 9.2684 10.5455 10.5455 11.7169 11.7169 k =-0.0729 0.0706 0.1445 ( 3277 PWs) bands (ev): -20.9108 -20.9108 -20.6499 -20.6499 -14.3062 -14.3062 -8.2918 -8.2918 -5.8319 -5.8319 -5.2352 -5.2352 -5.1024 -5.1024 -4.8048 -4.8048 -4.3807 -4.3807 -4.2434 -4.2434 0.7149 0.7149 2.1792 2.1792 2.2653 2.2653 5.4885 5.4885 5.9965 5.9965 8.2591 8.2591 9.2919 9.2919 10.5741 10.5741 11.7527 11.7527 k =-0.0796 0.0770 0.1577 ( 3277 PWs) bands (ev): -20.9082 -20.9082 -20.6508 -20.6508 -14.3086 -14.3086 -8.2924 -8.2924 -5.8325 -5.8325 -5.2392 -5.2392 -5.1002 -5.1002 -4.8122 -4.8122 -4.3837 -4.3837 -4.2473 -4.2473 0.7154 0.7154 2.1808 2.1808 2.2756 2.2756 5.4825 5.4825 5.9886 5.9886 8.3155 8.3155 9.3168 9.3168 10.6048 10.6048 11.7916 11.7916 k =-0.0862 0.0834 0.1708 ( 3277 PWs) bands (ev): -20.9054 -20.9054 -20.6517 -20.6517 -14.3111 -14.3111 -8.2930 -8.2930 -5.8332 -5.8332 -5.2433 -5.2433 -5.0979 -5.0979 -4.8197 -4.8197 -4.3874 -4.3874 -4.2511 -4.2511 0.7160 0.7160 2.1827 2.1827 2.2863 2.2863 5.4763 5.4763 5.9801 5.9801 8.3747 8.3747 9.3430 9.3430 10.6374 10.6374 11.8335 11.8335 k =-0.0928 0.0898 0.1840 ( 3279 PWs) bands (ev): -20.9024 -20.9024 -20.6527 -20.6527 -14.3138 -14.3138 -8.2938 -8.2938 -5.8341 -5.8341 -5.2475 -5.2475 -5.0956 -5.0956 -4.8271 -4.8271 -4.3919 -4.3919 -4.2547 -4.2547 0.7168 0.7168 2.1849 2.1849 2.2975 2.2975 5.4702 5.4702 5.9711 5.9711 8.4361 8.4361 9.3702 9.3702 10.6718 10.6718 11.8781 11.8781 k =-0.0995 0.0962 0.1971 ( 3277 PWs) bands (ev): -20.8993 -20.8993 -20.6538 -20.6538 -14.3166 -14.3166 -8.2947 -8.2947 -5.8350 -5.8350 -5.2518 -5.2518 -5.0931 -5.0931 -4.8345 -4.8345 -4.3971 -4.3971 -4.2580 -4.2580 0.7178 0.7178 2.1875 2.1875 2.3089 2.3089 5.4641 5.4641 5.9617 5.9617 8.4994 8.4994 9.3983 9.3983 10.7077 10.7077 11.9254 11.9254 k =-0.1061 0.1027 0.2103 ( 3269 PWs) bands (ev): -20.8960 -20.8960 -20.6549 -20.6549 -14.3195 -14.3195 -8.2957 -8.2957 -5.8360 -5.8360 -5.2562 -5.2562 -5.0905 -5.0905 -4.8415 -4.8415 -4.4030 -4.4030 -4.2611 -4.2611 0.7190 0.7190 2.1905 2.1905 2.3204 2.3204 5.4583 5.4583 5.9517 5.9517 8.5637 8.5637 9.4270 9.4270 10.7448 10.7448 11.9750 11.9750 k =-0.1127 0.1091 0.2234 ( 3265 PWs) bands (ev): -20.8925 -20.8925 -20.6562 -20.6562 -14.3225 -14.3225 -8.2968 -8.2968 -5.8370 -5.8370 -5.2608 -5.2608 -5.0879 -5.0879 -4.8481 -4.8481 -4.4099 -4.4099 -4.2637 -4.2637 0.7205 0.7205 2.1940 2.1940 2.3320 2.3320 5.4526 5.4526 5.9415 5.9415 8.6286 8.6286 9.4562 9.4562 10.7830 10.7830 12.0264 12.0264 k =-0.1193 0.1155 0.2365 ( 3273 PWs) bands (ev): -20.8890 -20.8890 -20.6575 -20.6575 -14.3256 -14.3256 -8.2981 -8.2981 -5.8382 -5.8382 -5.2656 -5.2656 -5.0854 -5.0854 -4.8540 -4.8540 -4.4175 -4.4175 -4.2659 -4.2659 0.7222 0.7222 2.1979 2.1979 2.3435 2.3435 5.4473 5.4473 5.9308 5.9308 8.6933 8.6933 9.4857 9.4857 10.8219 10.8219 12.0747 12.0747 k =-0.1260 0.1219 0.2497 ( 3277 PWs) bands (ev): -20.8853 -20.8853 -20.6590 -20.6590 -14.3288 -14.3288 -8.2996 -8.2996 -5.8394 -5.8394 -5.2704 -5.2704 -5.0829 -5.0829 -4.8590 -4.8590 -4.4259 -4.4259 -4.2676 -4.2676 0.7241 0.7241 2.2024 2.2024 2.3548 2.3548 5.4423 5.4423 5.9198 5.9198 8.7572 8.7572 9.5153 9.5153 10.8611 10.8611 12.0544 12.0544 k =-0.1326 0.1283 0.2628 ( 3277 PWs) bands (ev): -20.8815 -20.8815 -20.6605 -20.6605 -14.3321 -14.3321 -8.3013 -8.3013 -5.8406 -5.8406 -5.2755 -5.2755 -5.0807 -5.0807 -4.8629 -4.8629 -4.4350 -4.4350 -4.2689 -4.2689 0.7263 0.7263 2.2073 2.2073 2.3659 2.3659 5.4378 5.4378 5.9086 5.9086 8.8195 8.8195 9.5449 9.5449 10.9005 10.9005 12.0302 12.0302 k =-0.1392 0.1347 0.2760 ( 3285 PWs) bands (ev): -20.8776 -20.8776 -20.6621 -20.6621 -14.3354 -14.3354 -8.3031 -8.3031 -5.8418 -5.8418 -5.2807 -5.2807 -5.0788 -5.0788 -4.8656 -4.8656 -4.4448 -4.4448 -4.2699 -4.2699 0.7287 0.7287 2.2128 2.2128 2.3766 2.3766 5.4338 5.4338 5.8971 5.8971 8.8795 8.8795 9.5743 9.5743 10.9397 10.9397 12.0067 12.0067 k =-0.1459 0.1412 0.2891 ( 3289 PWs) bands (ev): -20.8736 -20.8736 -20.6638 -20.6638 -14.3388 -14.3388 -8.3052 -8.3052 -5.8430 -5.8430 -5.2861 -5.2861 -5.0773 -5.0773 -4.8667 -4.8667 -4.4552 -4.4552 -4.2704 -4.2704 0.7313 0.7313 2.2187 2.2187 2.3868 2.3868 5.4303 5.4303 5.8854 5.8854 8.9365 8.9365 9.6033 9.6033 10.9785 10.9785 11.9844 11.9844 k =-0.1525 0.1476 0.3022 ( 3289 PWs) bands (ev): -20.8695 -20.8695 -20.6656 -20.6656 -14.3421 -14.3421 -8.3074 -8.3074 -5.8442 -5.8442 -5.2916 -5.2916 -5.0762 -5.0762 -4.8663 -4.8663 -4.4661 -4.4661 -4.2705 -4.2705 0.7342 0.7342 2.2251 2.2251 2.3965 2.3965 5.4274 5.4274 5.8736 5.8736 8.9900 8.9900 9.6319 9.6319 11.0166 11.0166 11.9633 11.9633 k =-0.1591 0.1540 0.3154 ( 3287 PWs) bands (ev): -20.8654 -20.8654 -20.6675 -20.6675 -14.3455 -14.3455 -8.3099 -8.3099 -5.8454 -5.8454 -5.2974 -5.2974 -5.0755 -5.0755 -4.8641 -4.8641 -4.4774 -4.4774 -4.2704 -4.2704 0.7373 0.7373 2.2319 2.2319 2.4056 2.4056 5.4251 5.4251 5.8618 5.8618 9.0392 9.0392 9.6599 9.6599 11.0539 11.0539 11.9436 11.9436 k =-0.1658 0.1604 0.3285 ( 3285 PWs) bands (ev): -20.8613 -20.8613 -20.6695 -20.6695 -14.3489 -14.3489 -8.3126 -8.3126 -5.8464 -5.8464 -5.3033 -5.3033 -5.0753 -5.0753 -4.8601 -4.8601 -4.4890 -4.4890 -4.2699 -4.2699 0.7407 0.7407 2.2391 2.2391 2.4141 2.4141 5.4235 5.4235 5.8498 5.8498 9.0836 9.0836 9.6872 9.6872 11.0903 11.0903 11.9255 11.9255 k =-0.1724 0.1668 0.3417 ( 3285 PWs) bands (ev): -20.8571 -20.8571 -20.6715 -20.6715 -14.3522 -14.3522 -8.3156 -8.3156 -5.8474 -5.8474 -5.3094 -5.3094 -5.0753 -5.0753 -4.8544 -4.8544 -4.5009 -4.5009 -4.2692 -4.2692 0.7442 0.7442 2.2467 2.2467 2.4217 2.4217 5.4226 5.4226 5.8379 5.8379 9.1230 9.1230 9.7137 9.7137 11.1259 11.1259 11.9092 11.9092 k =-0.1790 0.1732 0.3548 ( 3293 PWs) bands (ev): -20.8529 -20.8529 -20.6737 -20.6737 -14.3555 -14.3555 -8.3188 -8.3188 -5.8483 -5.8483 -5.3157 -5.3157 -5.0756 -5.0756 -4.8469 -4.8469 -4.5130 -4.5130 -4.2683 -4.2683 0.7479 0.7479 2.2546 2.2546 2.4286 2.4286 5.4224 5.4224 5.8261 5.8261 9.1570 9.1570 9.7393 9.7393 11.1607 11.1607 11.8946 11.8946 k =-0.1856 0.1797 0.3679 ( 3293 PWs) bands (ev): -20.8487 -20.8487 -20.6760 -20.6760 -14.3588 -14.3588 -8.3223 -8.3223 -5.8490 -5.8490 -5.3222 -5.3222 -5.0760 -5.0760 -4.8379 -4.8379 -4.5252 -4.5252 -4.2672 -4.2672 0.7517 0.7517 2.2628 2.2628 2.4347 2.4347 5.4229 5.4229 5.8143 5.8143 9.1856 9.1856 9.7639 9.7639 11.1946 11.1946 11.8820 11.8820 k =-0.1923 0.1861 0.3811 ( 3293 PWs) bands (ev): -20.8445 -20.8445 -20.6783 -20.6783 -14.3620 -14.3620 -8.3261 -8.3261 -5.8496 -5.8496 -5.3289 -5.3289 -5.0762 -5.0762 -4.8274 -4.8274 -4.5375 -4.5375 -4.2659 -4.2659 0.7557 0.7557 2.2713 2.2713 2.4399 2.4399 5.4242 5.4242 5.8027 5.8027 9.2088 9.2088 9.7875 9.7875 11.2278 11.2278 11.8716 11.8716 k =-0.1989 0.1925 0.3942 ( 3297 PWs) bands (ev): -20.8403 -20.8403 -20.6807 -20.6807 -14.3651 -14.3651 -8.3301 -8.3301 -5.8500 -5.8500 -5.3356 -5.3356 -5.0761 -5.0761 -4.8155 -4.8155 -4.5497 -4.5497 -4.2644 -4.2644 0.7599 0.7599 2.2799 2.2799 2.4441 2.4441 5.4262 5.4262 5.7913 5.7913 9.2270 9.2270 9.8100 9.8100 11.2601 11.2601 11.8632 11.8632 k =-0.2055 0.1989 0.4074 ( 3297 PWs) bands (ev): -20.8361 -20.8361 -20.6833 -20.6833 -14.3681 -14.3681 -8.3344 -8.3344 -5.8502 -5.8502 -5.3425 -5.3425 -5.0757 -5.0757 -4.8025 -4.8025 -4.5617 -4.5617 -4.2629 -4.2629 0.7641 0.7641 2.2886 2.2886 2.4475 2.4475 5.4289 5.4289 5.7801 5.7801 9.2403 9.2403 9.8314 9.8314 11.2914 11.2914 11.8572 11.8572 k =-0.2122 0.2053 0.4205 ( 3297 PWs) bands (ev): -20.8320 -20.8320 -20.6859 -20.6859 -14.3710 -14.3710 -8.3389 -8.3389 -5.8503 -5.8503 -5.3494 -5.3494 -5.0746 -5.0746 -4.7883 -4.7883 -4.5737 -4.5737 -4.2612 -4.2612 0.7684 0.7684 2.2975 2.2975 2.4498 2.4498 5.4324 5.4324 5.7692 5.7692 9.2493 9.2493 9.8517 9.8517 11.3216 11.3216 11.8535 11.8535 k =-0.2188 0.2117 0.4336 ( 3301 PWs) bands (ev): -20.8279 -20.8279 -20.6886 -20.6886 -14.3738 -14.3738 -8.3437 -8.3437 -5.8501 -5.8501 -5.3564 -5.3564 -5.0730 -5.0730 -4.7732 -4.7732 -4.5854 -4.5854 -4.2594 -4.2594 0.7727 0.7727 2.3063 2.3063 2.4511 2.4511 5.4366 5.4366 5.7586 5.7586 9.2545 9.2545 9.8708 9.8708 11.3505 11.3505 11.8523 11.8523 k =-0.2254 0.2182 0.4468 ( 3301 PWs) bands (ev): -20.8239 -20.8239 -20.6913 -20.6913 -14.3765 -14.3765 -8.3488 -8.3488 -5.8498 -5.8498 -5.3633 -5.3633 -5.0706 -5.0706 -4.7573 -4.7573 -4.5968 -4.5968 -4.2576 -4.2576 0.7771 0.7771 2.3151 2.3151 2.4515 2.4515 5.4416 5.4416 5.7483 5.7483 9.2563 9.2563 9.8887 9.8887 11.3776 11.3776 11.8535 11.8535 k =-0.2321 0.2246 0.4599 ( 3301 PWs) bands (ev): -20.8200 -20.8200 -20.6942 -20.6942 -14.3791 -14.3791 -8.3542 -8.3542 -5.8492 -5.8492 -5.3702 -5.3702 -5.0674 -5.0674 -4.7406 -4.7406 -4.6080 -4.6080 -4.2558 -4.2558 0.7816 0.7816 2.3238 2.3238 2.4507 2.4507 5.4473 5.4473 5.7385 5.7385 9.2555 9.2555 9.9054 9.9054 11.4027 11.4027 11.8572 11.8572 k =-0.2387 0.2310 0.4731 ( 3293 PWs) bands (ev): -20.8161 -20.8161 -20.6971 -20.6971 -14.3815 -14.3815 -8.3598 -8.3598 -5.8485 -5.8485 -5.3770 -5.3770 -5.0633 -5.0633 -4.7233 -4.7233 -4.6187 -4.6187 -4.2539 -4.2539 0.7860 0.7860 2.3324 2.3324 2.4490 2.4490 5.4537 5.4537 5.7290 5.7290 9.2524 9.2524 9.9209 9.9209 11.4256 11.4256 11.8636 11.8636 k =-0.2453 0.2374 0.4862 ( 3277 PWs) bands (ev): -20.8123 -20.8123 -20.7000 -20.7000 -14.3838 -14.3838 -8.3656 -8.3656 -5.8475 -5.8475 -5.3835 -5.3835 -5.0584 -5.0584 -4.7056 -4.7056 -4.6290 -4.6290 -4.2521 -4.2521 0.7904 0.7904 2.3408 2.3408 2.4462 2.4462 5.4608 5.4608 5.7200 5.7200 9.2477 9.2477 9.9353 9.9353 11.4458 11.4458 11.8725 11.8725 k =-0.2520 0.2438 0.4993 ( 3277 PWs) bands (ev): -20.8086 -20.8086 -20.7031 -20.7031 -14.3860 -14.3860 -8.3717 -8.3717 -5.8463 -5.8463 -5.3898 -5.3898 -5.0526 -5.0526 -4.6876 -4.6876 -4.6387 -4.6387 -4.2502 -4.2502 0.7947 0.7947 2.3489 2.3489 2.4424 2.4424 5.4685 5.4685 5.7115 5.7115 9.2416 9.2416 9.9485 9.9485 11.4633 11.4633 11.8840 11.8840 k =-0.2586 0.2502 0.5125 ( 3277 PWs) bands (ev): -20.8051 -20.8051 -20.7061 -20.7061 -14.3880 -14.3880 -8.3780 -8.3780 -5.8449 -5.8449 -5.3959 -5.3959 -5.0459 -5.0459 -4.6703 -4.6703 -4.6467 -4.6467 -4.2484 -4.2484 0.7990 0.7990 2.3567 2.3567 2.4376 2.4376 5.4768 5.4768 5.7035 5.7035 9.2347 9.2347 9.9605 9.9605 11.4777 11.4777 11.8981 11.8981 k =-0.2652 0.2567 0.5256 ( 3283 PWs) bands (ev): -20.8016 -20.8016 -20.7093 -20.7093 -14.3898 -14.3898 -8.3846 -8.3846 -5.8433 -5.8433 -5.4017 -5.4017 -5.0384 -5.0384 -4.6629 -4.6629 -4.6442 -4.6442 -4.2466 -4.2466 0.8033 0.8033 2.3640 2.3640 2.4319 2.4319 5.4858 5.4858 5.6960 5.6960 9.2272 9.2272 9.9714 9.9714 11.4890 11.4890 11.9148 11.9148 k =-0.2718 0.2631 0.5388 ( 3279 PWs) bands (ev): -20.7982 -20.7982 -20.7125 -20.7125 -14.3915 -14.3915 -8.3913 -8.3913 -5.8415 -5.8415 -5.4071 -5.4071 -5.0300 -5.0300 -4.6691 -4.6691 -4.6273 -4.6273 -4.2448 -4.2448 0.8074 0.8074 2.3708 2.3708 2.4254 2.4254 5.4953 5.4953 5.6890 5.6890 9.2194 9.2194 9.9813 9.9813 11.4971 11.4971 11.9340 11.9340 k =-0.2785 0.2695 0.5519 ( 3265 PWs) bands (ev): -20.7950 -20.7950 -20.7157 -20.7157 -14.3930 -14.3930 -8.3982 -8.3982 -5.8394 -5.8394 -5.4122 -5.4122 -5.0208 -5.0208 -4.6768 -4.6768 -4.6082 -4.6082 -4.2431 -4.2431 0.8115 0.8115 2.3768 2.3768 2.4183 2.4183 5.5054 5.5054 5.6826 5.6826 9.2114 9.2114 9.9901 9.9901 11.5019 11.5019 11.9558 11.9558 k =-0.2851 0.2759 0.5650 ( 3261 PWs) bands (ev): -20.7919 -20.7919 -20.7189 -20.7189 -14.3943 -14.3943 -8.4053 -8.4053 -5.8371 -5.8371 -5.4169 -5.4169 -5.0107 -5.0107 -4.6844 -4.6844 -4.5886 -4.5886 -4.2415 -4.2415 0.8155 0.8155 2.3809 2.3809 2.4116 2.4116 5.5160 5.5160 5.6767 5.6767 9.2035 9.2035 9.9980 9.9980 11.5035 11.5035 11.9475 11.9475 k =-0.2917 0.2823 0.5782 ( 3255 PWs) bands (ev): -20.7889 -20.7889 -20.7222 -20.7222 -14.3955 -14.3955 -8.4126 -8.4126 -5.8345 -5.8345 -5.4212 -5.4212 -5.0000 -5.0000 -4.6916 -4.6916 -4.5688 -4.5688 -4.2399 -4.2399 0.8194 0.8194 2.3812 2.3813 2.4073 2.4073 5.5271 5.5271 5.6715 5.6715 9.1957 9.1957 10.0049 10.0049 11.5020 11.5020 11.8700 11.8700 k =-0.2984 0.2887 0.5913 ( 3253 PWs) bands (ev): -20.7860 -20.7860 -20.7255 -20.7255 -14.3966 -14.3966 -8.4199 -8.4199 -5.8317 -5.8317 -5.4251 -5.4251 -4.9886 -4.9886 -4.6984 -4.6984 -4.5489 -4.5489 -4.2385 -4.2385 0.8232 0.8232 2.3756 2.3756 2.4076 2.4076 5.5386 5.5386 5.6668 5.6668 9.1879 9.1879 10.0109 10.0109 11.4975 11.4975 11.7924 11.7924 k =-0.3050 0.2952 0.6045 ( 3249 PWs) bands (ev): -20.7833 -20.7833 -20.7288 -20.7288 -14.3975 -14.3975 -8.4274 -8.4274 -5.8286 -5.8286 -5.4287 -5.4287 -4.9765 -4.9765 -4.7047 -4.7047 -4.5289 -4.5289 -4.2371 -4.2371 0.8268 0.8268 2.3658 2.3658 2.4108 2.4108 5.5504 5.5504 5.6627 5.6627 9.1803 9.1803 10.0160 10.0160 11.4902 11.4902 11.7152 11.7152 k =-0.3116 0.3016 0.6176 ( 3249 PWs) bands (ev): -20.7807 -20.7807 -20.7320 -20.7320 -14.3982 -14.3982 -8.4349 -8.4349 -5.8252 -5.8252 -5.4320 -5.4320 -4.9639 -4.9639 -4.7105 -4.7105 -4.5090 -4.5090 -4.2358 -4.2358 0.8304 0.8304 2.3535 2.3535 2.4150 2.4150 5.5625 5.5625 5.6592 5.6592 9.1726 9.1726 10.0203 10.0203 11.4802 11.4802 11.6390 11.6390 k =-0.3183 0.3080 0.6308 ( 3249 PWs) bands (ev): -20.7782 -20.7782 -20.7353 -20.7353 -14.3988 -14.3988 -8.4425 -8.4425 -5.8214 -5.8214 -5.4350 -5.4350 -4.9509 -4.9509 -4.7158 -4.7158 -4.4892 -4.4892 -4.2346 -4.2346 0.8338 0.8338 2.3399 2.3399 2.4195 2.4195 5.5749 5.5749 5.6563 5.6563 9.1648 9.1648 10.0239 10.0239 11.4675 11.4675 11.5645 11.5645 k =-0.3249 0.3144 0.6439 ( 3245 PWs) bands (ev): -20.7759 -20.7759 -20.7386 -20.7386 -14.3993 -14.3993 -8.4502 -8.4502 -5.8174 -5.8174 -5.4377 -5.4377 -4.9375 -4.9375 -4.7206 -4.7206 -4.4694 -4.4694 -4.2335 -4.2335 0.8371 0.8371 2.3250 2.3250 2.4238 2.4238 5.5875 5.5875 5.6541 5.6541 9.1568 9.1568 10.0268 10.0268 11.4510 11.4510 11.4934 11.4934 k =-0.3315 0.3208 0.6570 ( 3252 PWs) bands (ev): -20.7737 -20.7737 -20.7418 -20.7418 -14.3997 -14.3997 -8.4578 -8.4578 -5.8129 -5.8129 -5.4401 -5.4401 -4.9239 -4.9239 -4.7248 -4.7248 -4.4499 -4.4499 -4.2326 -4.2326 0.8403 0.8403 2.3092 2.3092 2.4280 2.4280 5.6000 5.6000 5.6525 5.6525 9.1483 9.1483 10.0290 10.0290 11.4120 11.4120 11.4452 11.4452 k =-0.3381 0.3272 0.6702 ( 3260 PWs) bands (ev): -20.7716 -20.7716 -20.7450 -20.7450 -14.3999 -14.3999 -8.4655 -8.4655 -5.8082 -5.8082 -5.4424 -5.4424 -4.9102 -4.9102 -4.7283 -4.7283 -4.4306 -4.4306 -4.2317 -4.2317 0.8434 0.8434 2.2926 2.2926 2.4320 2.4320 5.6124 5.6124 5.6519 5.6519 9.1393 9.1393 10.0307 10.0307 11.3462 11.3462 11.4244 11.4244 k =-0.3381 0.3272 0.6702 ( 3260 PWs) bands (ev): -20.7716 -20.7716 -20.7450 -20.7450 -14.3999 -14.3999 -8.4655 -8.4655 -5.8082 -5.8082 -5.4424 -5.4424 -4.9102 -4.9102 -4.7283 -4.7283 -4.4306 -4.4306 -4.2317 -4.2317 0.8434 0.8434 2.2926 2.2926 2.4320 2.4320 5.6124 5.6124 5.6519 5.6519 9.1393 9.1393 10.0307 10.0307 11.3462 11.3462 11.4244 11.4244 k =-0.3292 0.3186 0.6789 ( 3260 PWs) bands (ev): -20.7717 -20.7717 -20.7450 -20.7450 -14.3999 -14.3999 -8.4652 -8.4652 -5.8079 -5.8079 -5.4429 -5.4429 -4.9112 -4.9112 -4.7280 -4.7280 -4.4299 -4.4299 -4.2317 -4.2317 0.8434 0.8434 2.2929 2.2929 2.4317 2.4317 5.6121 5.6121 5.6512 5.6512 9.1405 9.1405 10.0282 10.0282 11.3461 11.3461 11.4273 11.4273 k =-0.3203 0.3100 0.6876 ( 3260 PWs) bands (ev): -20.7719 -20.7719 -20.7448 -20.7448 -14.3998 -14.3998 -8.4645 -8.4645 -5.8072 -5.8072 -5.4444 -5.4444 -4.9140 -4.9140 -4.7272 -4.7272 -4.4279 -4.4279 -4.2316 -4.2316 0.8434 0.8434 2.2940 2.2940 2.4309 2.4309 5.6112 5.6112 5.6494 5.6494 9.1443 9.1443 10.0208 10.0208 11.3456 11.3456 11.4357 11.4357 k =-0.3114 0.3014 0.6963 ( 3254 PWs) bands (ev): -20.7722 -20.7722 -20.7445 -20.7445 -14.3998 -14.3998 -8.4633 -8.4633 -5.8060 -5.8060 -5.4467 -5.4467 -4.9187 -4.9187 -4.7259 -4.7259 -4.4247 -4.4247 -4.2314 -4.2314 0.8435 0.8435 2.2959 2.2959 2.4296 2.4296 5.6097 5.6097 5.6464 5.6464 9.1505 9.1505 10.0087 10.0087 11.3450 11.3450 11.4497 11.4497 k =-0.3025 0.2928 0.7050 ( 3254 PWs) bands (ev): -20.7727 -20.7727 -20.7441 -20.7441 -14.3997 -14.3997 -8.4616 -8.4616 -5.8044 -5.8044 -5.4500 -5.4500 -4.9250 -4.9250 -4.7242 -4.7242 -4.4205 -4.4205 -4.2312 -4.2312 0.8435 0.8435 2.2984 2.2984 2.4278 2.4278 5.6075 5.6075 5.6423 5.6423 9.1592 9.1592 9.9921 9.9921 11.3443 11.3443 11.4688 11.4688 k =-0.2936 0.2842 0.7137 ( 3250 PWs) bands (ev): -20.7734 -20.7734 -20.7435 -20.7435 -14.3996 -14.3996 -8.4594 -8.4594 -5.8023 -5.8023 -5.4540 -5.4540 -4.9327 -4.9327 -4.7220 -4.7220 -4.4153 -4.4153 -4.2310 -4.2310 0.8436 0.8436 2.3016 2.3016 2.4254 2.4254 5.6048 5.6048 5.6372 5.6372 9.1703 9.1703 9.9714 9.9714 11.3439 11.3439 11.4929 11.4929 k =-0.2847 0.2756 0.7224 ( 3246 PWs) bands (ev): -20.7741 -20.7741 -20.7429 -20.7429 -14.3995 -14.3995 -8.4568 -8.4568 -5.7998 -5.7998 -5.4588 -5.4588 -4.9416 -4.9416 -4.7195 -4.7195 -4.4095 -4.4095 -4.2307 -4.2307 0.8438 0.8438 2.3054 2.3054 2.4225 2.4225 5.6015 5.6015 5.6312 5.6312 9.1837 9.1837 9.9470 9.9470 11.3441 11.3441 11.5214 11.5214 k =-0.2758 0.2669 0.7311 ( 3254 PWs) bands (ev): -20.7750 -20.7750 -20.7421 -20.7421 -14.3993 -14.3993 -8.4538 -8.4538 -5.7970 -5.7970 -5.4643 -5.4643 -4.9514 -4.9514 -4.7167 -4.7167 -4.4032 -4.4032 -4.2304 -4.2304 0.8440 0.8440 2.3099 2.3099 2.4192 2.4192 5.5976 5.5976 5.6245 5.6245 9.1995 9.1995 9.9193 9.9193 11.3452 11.3452 11.5536 11.5536 k =-0.2669 0.2583 0.7398 ( 3253 PWs) bands (ev): -20.7760 -20.7760 -20.7412 -20.7412 -14.3991 -14.3991 -8.4504 -8.4504 -5.7939 -5.7939 -5.4704 -5.4704 -4.9619 -4.9619 -4.7137 -4.7137 -4.3967 -4.3967 -4.2300 -4.2300 0.8442 0.8442 2.3149 2.3149 2.4153 2.4153 5.5929 5.5929 5.6173 5.6173 9.2176 9.2176 9.8889 9.8889 11.3476 11.3476 11.5890 11.5890 k =-0.2669 0.2583 0.7398 ( 3253 PWs) bands (ev): -20.7760 -20.7760 -20.7412 -20.7412 -14.3991 -14.3991 -8.4504 -8.4504 -5.7939 -5.7939 -5.4704 -5.4704 -4.9619 -4.9619 -4.7137 -4.7137 -4.3967 -4.3967 -4.2300 -4.2300 0.8442 0.8442 2.3149 2.3149 2.4153 2.4153 5.5929 5.5929 5.6173 5.6173 9.2176 9.2176 9.8889 9.8889 11.3476 11.3476 11.5890 11.5890 k =-0.2553 0.2471 0.7398 ( 3253 PWs) bands (ev): -20.7780 -20.7780 -20.7387 -20.7387 -14.3989 -14.3989 -8.4431 -8.4431 -5.7941 -5.7941 -5.4758 -5.4758 -4.9799 -4.9799 -4.7090 -4.7090 -4.3992 -4.3992 -4.2297 -4.2297 0.8430 0.8430 2.3286 2.3286 2.4096 2.4096 5.5826 5.5826 5.6089 5.6089 9.2404 9.2404 9.8637 9.8637 11.3805 11.3805 11.6293 11.6293 k =-0.2437 0.2359 0.7398 ( 3252 PWs) bands (ev): -20.7800 -20.7800 -20.7362 -20.7362 -14.3987 -14.3987 -8.4357 -8.4357 -5.7941 -5.7941 -5.4817 -5.4817 -4.9981 -4.9981 -4.7041 -4.7041 -4.4010 -4.4010 -4.2292 -4.2292 0.8420 0.8420 2.3420 2.3420 2.4037 2.4037 5.5719 5.5719 5.6002 5.6002 9.2644 9.2644 9.8381 9.8381 11.4120 11.4120 11.6645 11.6645 k =-0.2321 0.2246 0.7398 ( 3248 PWs) bands (ev): -20.7820 -20.7820 -20.7336 -20.7336 -14.3985 -14.3985 -8.4283 -8.4283 -5.7941 -5.7941 -5.4881 -5.4881 -5.0162 -5.0162 -4.6991 -4.6991 -4.4021 -4.4021 -4.2286 -4.2286 0.8411 0.8411 2.3548 2.3548 2.3978 2.3978 5.5610 5.5610 5.5913 5.5913 9.2894 9.2894 9.8125 9.8125 11.4420 11.4420 11.6365 11.6365 k =-0.2205 0.2134 0.7398 ( 3244 PWs) bands (ev): -20.7841 -20.7841 -20.7311 -20.7311 -14.3983 -14.3983 -8.4208 -8.4208 -5.7941 -5.7941 -5.4950 -5.4950 -5.0339 -5.0339 -4.6942 -4.6942 -4.4026 -4.4026 -4.2278 -4.2278 0.8404 0.8404 2.3661 2.3661 2.3929 2.3929 5.5499 5.5499 5.5820 5.5820 9.3151 9.3151 9.7873 9.7873 11.4706 11.4706 11.5495 11.5495 k =-0.2089 0.2022 0.7398 ( 3247 PWs) bands (ev): -20.7861 -20.7861 -20.7286 -20.7286 -14.3981 -14.3981 -8.4134 -8.4134 -5.7941 -5.7941 -5.5022 -5.5022 -5.0511 -5.0511 -4.6893 -4.6893 -4.4026 -4.4026 -4.2269 -4.2269 0.8398 0.8398 2.3724 2.3724 2.3926 2.3926 5.5388 5.5388 5.5726 5.5726 9.3412 9.3412 9.7626 9.7626 11.4571 11.4571 11.4980 11.4980 k =-0.1973 0.1909 0.7398 ( 3247 PWs) bands (ev): -20.7881 -20.7881 -20.7261 -20.7261 -14.3979 -14.3979 -8.4060 -8.4060 -5.7944 -5.7944 -5.5096 -5.5096 -5.0674 -5.0674 -4.6845 -4.6845 -4.4022 -4.4022 -4.2258 -4.2258 0.8395 0.8395 2.3701 2.3701 2.4001 2.4001 5.5277 5.5277 5.5631 5.5631 9.3674 9.3674 9.7390 9.7390 11.3650 11.3650 11.5237 11.5237 k =-0.1857 0.1797 0.7398 ( 3248 PWs) bands (ev): -20.7901 -20.7901 -20.7237 -20.7237 -14.3977 -14.3977 -8.3988 -8.3988 -5.7948 -5.7948 -5.5173 -5.5173 -5.0828 -5.0828 -4.6800 -4.6800 -4.4015 -4.4015 -4.2246 -4.2246 0.8394 0.8394 2.3642 2.3642 2.4108 2.4108 5.5168 5.5168 5.5535 5.5535 9.3932 9.3932 9.7168 9.7168 11.2743 11.2743 11.5481 11.5481 k =-0.1741 0.1685 0.7398 ( 3252 PWs) bands (ev): -20.7921 -20.7921 -20.7214 -20.7214 -14.3974 -14.3974 -8.3918 -8.3918 -5.7955 -5.7955 -5.5250 -5.5250 -5.0971 -5.0971 -4.6756 -4.6756 -4.4005 -4.4005 -4.2233 -4.2233 0.8394 0.8394 2.3574 2.3574 2.4218 2.4218 5.5061 5.5061 5.5438 5.5438 9.4179 9.4179 9.6969 9.6969 11.1859 11.1859 11.5713 11.5713 k =-0.1625 0.1572 0.7398 ( 3244 PWs) bands (ev): -20.7940 -20.7940 -20.7191 -20.7191 -14.3972 -14.3972 -8.3850 -8.3850 -5.7965 -5.7965 -5.5327 -5.5327 -5.1103 -5.1103 -4.6716 -4.6716 -4.3993 -4.3993 -4.2219 -4.2219 0.8396 0.8396 2.3502 2.3502 2.4326 2.4326 5.4957 5.4957 5.5343 5.5343 9.4403 9.4403 9.6802 9.6802 11.1005 11.1005 11.5931 11.5931 k =-0.1509 0.1460 0.7398 ( 3244 PWs) bands (ev): -20.7958 -20.7958 -20.7169 -20.7169 -14.3970 -14.3970 -8.3784 -8.3784 -5.7978 -5.7978 -5.5404 -5.5404 -5.1221 -5.1221 -4.6678 -4.6678 -4.3979 -4.3979 -4.2204 -4.2204 0.8400 0.8400 2.3430 2.3430 2.4430 2.4430 5.4857 5.4857 5.5250 5.5250 9.4590 9.4590 9.6681 9.6681 11.0185 11.0185 11.6137 11.6137 k =-0.1393 0.1348 0.7398 ( 3249 PWs) bands (ev): -20.7975 -20.7975 -20.7149 -20.7149 -14.3968 -14.3968 -8.3722 -8.3722 -5.7994 -5.7994 -5.5479 -5.5479 -5.1327 -5.1327 -4.6644 -4.6644 -4.3964 -4.3964 -4.2189 -4.2189 0.8406 0.8406 2.3358 2.3358 2.4528 2.4528 5.4761 5.4761 5.5160 5.5160 9.4721 9.4721 9.6625 9.6625 10.9404 10.9404 11.6329 11.6329 k =-0.1277 0.1235 0.7398 ( 3247 PWs) bands (ev): -20.7992 -20.7992 -20.7129 -20.7129 -14.3966 -14.3966 -8.3663 -8.3663 -5.8012 -5.8012 -5.5551 -5.5551 -5.1421 -5.1421 -4.6612 -4.6612 -4.3949 -4.3949 -4.2174 -4.2174 0.8413 0.8413 2.3288 2.3288 2.4621 2.4621 5.4671 5.4671 5.5073 5.5073 9.4782 9.4782 9.6646 9.6646 10.8665 10.8665 11.6508 11.6508 k =-0.1161 0.1123 0.7398 ( 3250 PWs) bands (ev): -20.8007 -20.8007 -20.7111 -20.7111 -14.3965 -14.3965 -8.3608 -8.3608 -5.8032 -5.8032 -5.5620 -5.5620 -5.1501 -5.1501 -4.6584 -4.6584 -4.3934 -4.3934 -4.2160 -4.2160 0.8421 0.8421 2.3221 2.3221 2.4706 2.4706 5.4586 5.4586 5.4991 5.4991 9.4774 9.4774 9.6743 9.6743 10.7973 10.7973 11.6674 11.6674 k =-0.1044 0.1011 0.7398 ( 3257 PWs) bands (ev): -20.8022 -20.8022 -20.7094 -20.7094 -14.3963 -14.3963 -8.3557 -8.3557 -5.8054 -5.8054 -5.5684 -5.5684 -5.1570 -5.1570 -4.6559 -4.6559 -4.3919 -4.3919 -4.2146 -4.2146 0.8429 0.8429 2.3157 2.3157 2.4785 2.4785 5.4507 5.4507 5.4913 5.4913 9.4715 9.4715 9.6897 9.6897 10.7329 10.7329 11.6826 11.6826 k =-0.0928 0.0899 0.7398 ( 3261 PWs) bands (ev): -20.8035 -20.8035 -20.7079 -20.7079 -14.3961 -14.3961 -8.3510 -8.3510 -5.8076 -5.8076 -5.5744 -5.5744 -5.1628 -5.1628 -4.6538 -4.6538 -4.3904 -4.3904 -4.2133 -4.2133 0.8438 0.8438 2.3097 2.3097 2.4856 2.4856 5.4436 5.4436 5.4842 5.4842 9.4625 9.4625 9.7086 9.7086 10.6736 10.6736 11.6964 11.6964 k =-0.0812 0.0786 0.7398 ( 3267 PWs) bands (ev): -20.8047 -20.8047 -20.7065 -20.7065 -14.3960 -14.3960 -8.3468 -8.3468 -5.8099 -5.8099 -5.5799 -5.5799 -5.1676 -5.1676 -4.6519 -4.6519 -4.3891 -4.3891 -4.2121 -4.2121 0.8447 0.8447 2.3042 2.3042 2.4919 2.4919 5.4371 5.4371 5.4777 5.4777 9.4522 9.4522 9.7292 9.7292 10.6198 10.6198 11.7087 11.7087 k =-0.0696 0.0674 0.7398 ( 3265 PWs) bands (ev): -20.8057 -20.8057 -20.7053 -20.7053 -14.3959 -14.3959 -8.3432 -8.3432 -5.8121 -5.8121 -5.5847 -5.5847 -5.1714 -5.1714 -4.6503 -4.6503 -4.3878 -4.3878 -4.2110 -4.2110 0.8456 0.8456 2.2993 2.2993 2.4975 2.4975 5.4315 5.4315 5.4720 5.4720 9.4417 9.4417 9.7498 9.7498 10.5717 10.5717 11.7194 11.7194 k =-0.0580 0.0562 0.7398 ( 3267 PWs) bands (ev): -20.8066 -20.8066 -20.7043 -20.7043 -14.3958 -14.3958 -8.3400 -8.3400 -5.8141 -5.8141 -5.5889 -5.5889 -5.1745 -5.1745 -4.6490 -4.6490 -4.3867 -4.3867 -4.2100 -4.2100 0.8464 0.8464 2.2950 2.2950 2.5022 2.5022 5.4266 5.4266 5.4671 5.4671 9.4320 9.4320 9.7695 9.7695 10.5296 10.5296 11.7286 11.7286 k =-0.0464 0.0449 0.7398 ( 3271 PWs) bands (ev): -20.8073 -20.8073 -20.7034 -20.7034 -14.3957 -14.3957 -8.3374 -8.3374 -5.8158 -5.8158 -5.5924 -5.5924 -5.1769 -5.1769 -4.6480 -4.6480 -4.3858 -4.3858 -4.2093 -4.2093 0.8471 0.8471 2.2915 2.2915 2.5061 2.5061 5.4226 5.4226 5.4629 5.4629 9.4234 9.4234 9.7873 9.7873 10.4941 10.4941 11.7362 11.7362 k =-0.0348 0.0337 0.7398 ( 3264 PWs) bands (ev): -20.8079 -20.8079 -20.7027 -20.7027 -14.3957 -14.3957 -8.3354 -8.3354 -5.8172 -5.8172 -5.5952 -5.5952 -5.1786 -5.1786 -4.6472 -4.6472 -4.3850 -4.3850 -4.2086 -4.2086 0.8477 0.8477 2.2886 2.2886 2.5092 2.5092 5.4194 5.4194 5.4597 5.4597 9.4164 9.4164 9.8024 9.8024 10.4655 10.4655 11.7422 11.7422 k =-0.0232 0.0225 0.7398 ( 3266 PWs) bands (ev): -20.8083 -20.8083 -20.7023 -20.7023 -14.3956 -14.3956 -8.3339 -8.3339 -5.8183 -5.8183 -5.5972 -5.5972 -5.1798 -5.1798 -4.6466 -4.6466 -4.3845 -4.3845 -4.2082 -4.2082 0.8481 0.8481 2.2865 2.2865 2.5113 2.5113 5.4172 5.4172 5.4573 5.4573 9.4112 9.4112 9.8139 9.8139 10.4446 10.4446 11.7464 11.7464 k =-0.0116 0.0112 0.7398 ( 3264 PWs) bands (ev): -20.8085 -20.8085 -20.7020 -20.7020 -14.3956 -14.3956 -8.3330 -8.3330 -5.8190 -5.8190 -5.5984 -5.5984 -5.1804 -5.1804 -4.6463 -4.6463 -4.3842 -4.3842 -4.2079 -4.2079 0.8484 0.8484 2.2853 2.2853 2.5127 2.5127 5.4158 5.4158 5.4559 5.4559 9.4081 9.4081 9.8211 9.8211 10.4318 10.4318 11.7490 11.7490 k = 0.0000 0.0000 0.7398 ( 3264 PWs) bands (ev): -20.8086 -20.8086 -20.7019 -20.7019 -14.3956 -14.3956 -8.3327 -8.3327 -5.8192 -5.8192 -5.5988 -5.5988 -5.1807 -5.1807 -4.6462 -4.6462 -4.3840 -4.3840 -4.2078 -4.2078 0.8485 0.8485 2.2849 2.2849 2.5131 2.5131 5.4153 5.4153 5.4555 5.4555 9.4070 9.4070 9.8235 9.8235 10.4274 10.4274 11.7499 11.7499 k = 0.0000 0.0000 0.7398 ( 3264 PWs) bands (ev): -20.8086 -20.8086 -20.7019 -20.7019 -14.3956 -14.3956 -8.3327 -8.3327 -5.8192 -5.8192 -5.5988 -5.5988 -5.1807 -5.1807 -4.6462 -4.6462 -4.3840 -4.3840 -4.2078 -4.2078 0.8485 0.8485 2.2849 2.2849 2.5131 2.5131 5.4153 5.4153 5.4555 5.4555 9.4070 9.4070 9.8235 9.8235 10.4274 10.4274 11.7499 11.7499 k = 0.0109 0.0112 0.7398 ( 3262 PWs) bands (ev): -20.8085 -20.8085 -20.7020 -20.7020 -14.3956 -14.3956 -8.3327 -8.3327 -5.8190 -5.8190 -5.5988 -5.5988 -5.1800 -5.1800 -4.6464 -4.6464 -4.3841 -4.3841 -4.2087 -4.2087 0.8485 0.8485 2.2852 2.2852 2.5129 2.5129 5.4155 5.4155 5.4555 5.4555 9.4080 9.4080 9.8241 9.8241 10.4289 10.4289 11.7471 11.7471 k = 0.0217 0.0225 0.7398 ( 3264 PWs) bands (ev): -20.8081 -20.8081 -20.7024 -20.7024 -14.3956 -14.3956 -8.3325 -8.3325 -5.8184 -5.8184 -5.5988 -5.5988 -5.1782 -5.1782 -4.6471 -4.6471 -4.3842 -4.3842 -4.2114 -4.2114 0.8487 0.8487 2.2862 2.2862 2.5124 2.5124 5.4158 5.4158 5.4555 5.4555 9.4111 9.4111 9.8256 9.8256 10.4333 10.4333 11.7390 11.7390 k = 0.0326 0.0337 0.7398 ( 3266 PWs) bands (ev): -20.8075 -20.8075 -20.7030 -20.7030 -14.3956 -14.3956 -8.3322 -8.3322 -5.8175 -5.8175 -5.5988 -5.5988 -5.1751 -5.1751 -4.6483 -4.6483 -4.3845 -4.3845 -4.2157 -4.2157 0.8491 0.8491 2.2878 2.2878 2.5115 2.5115 5.4163 5.4163 5.4555 5.4555 9.4161 9.4161 9.8281 9.8281 10.4406 10.4406 11.7258 11.7258 k = 0.0435 0.0449 0.7398 ( 3268 PWs) bands (ev): -20.8067 -20.8067 -20.7039 -20.7039 -14.3956 -14.3956 -8.3319 -8.3319 -5.8162 -5.8162 -5.5988 -5.5988 -5.1709 -5.1709 -4.6499 -4.6499 -4.3848 -4.3848 -4.2217 -4.2217 0.8495 0.8495 2.2900 2.2900 2.5103 2.5103 5.4170 5.4170 5.4554 5.4554 9.4231 9.4231 9.8316 9.8316 10.4506 10.4506 11.7079 11.7079 k = 0.0543 0.0562 0.7398 ( 3268 PWs) bands (ev): -20.8056 -20.8056 -20.7050 -20.7050 -14.3956 -14.3956 -8.3315 -8.3315 -5.8147 -5.8147 -5.5988 -5.5988 -5.1654 -5.1654 -4.6521 -4.6521 -4.3853 -4.3853 -4.2291 -4.2291 0.8501 0.8501 2.2927 2.2927 2.5087 2.5087 5.4179 5.4179 5.4554 5.4554 9.4318 9.4318 9.8361 9.8361 10.4634 10.4634 11.6857 11.6857 k = 0.0652 0.0674 0.7398 ( 3266 PWs) bands (ev): -20.8043 -20.8043 -20.7064 -20.7064 -14.3956 -14.3956 -8.3310 -8.3310 -5.8129 -5.8129 -5.5985 -5.5985 -5.1588 -5.1588 -4.6550 -4.6550 -4.3858 -4.3858 -4.2379 -4.2379 0.8507 0.8507 2.2960 2.2960 2.5069 2.5069 5.4189 5.4189 5.4554 5.4554 9.4423 9.4423 9.8413 9.8413 10.4788 10.4788 11.6597 11.6597 k = 0.0761 0.0786 0.7398 ( 3266 PWs) bands (ev): -20.8028 -20.8028 -20.7080 -20.7080 -14.3955 -14.3955 -8.3304 -8.3304 -5.8110 -5.8110 -5.5982 -5.5982 -5.1510 -5.1510 -4.6585 -4.6585 -4.3863 -4.3863 -4.2479 -4.2479 0.8515 0.8515 2.2997 2.2997 2.5048 2.5048 5.4201 5.4201 5.4554 5.4554 9.4543 9.4543 9.8473 9.8473 10.4967 10.4967 11.6304 11.6304 k = 0.0870 0.0899 0.7398 ( 3266 PWs) bands (ev): -20.8010 -20.8010 -20.7098 -20.7098 -14.3955 -14.3955 -8.3297 -8.3297 -5.8090 -5.8090 -5.5976 -5.5976 -5.1422 -5.1422 -4.6628 -4.6628 -4.3870 -4.3870 -4.2589 -4.2589 0.8523 0.8523 2.3037 2.3037 2.5026 2.5026 5.4214 5.4214 5.4554 5.4554 9.4676 9.4676 9.8540 9.8540 10.5168 10.5168 11.5983 11.5983 k = 0.0978 0.1011 0.7398 ( 3266 PWs) bands (ev): -20.7991 -20.7991 -20.7118 -20.7118 -14.3955 -14.3955 -8.3290 -8.3290 -5.8069 -5.8069 -5.5967 -5.5967 -5.1323 -5.1323 -4.6680 -4.6680 -4.3877 -4.3877 -4.2706 -4.2706 0.8532 0.8532 2.3080 2.3080 2.5001 2.5001 5.4228 5.4228 5.4554 5.4554 9.4821 9.4821 9.8612 9.8612 10.5391 10.5391 11.5638 11.5638 k = 0.1087 0.1123 0.7398 ( 3264 PWs) bands (ev): -20.7969 -20.7969 -20.7140 -20.7140 -14.3955 -14.3955 -8.3283 -8.3283 -5.8050 -5.8050 -5.5956 -5.5956 -5.1213 -5.1213 -4.6742 -4.6742 -4.3884 -4.3884 -4.2827 -4.2827 0.8542 0.8542 2.3126 2.3126 2.4976 2.4976 5.4242 5.4242 5.4554 5.4554 9.4975 9.4975 9.8689 9.8689 10.5633 10.5633 11.5273 11.5273 k = 0.1196 0.1235 0.7398 ( 3260 PWs) bands (ev): -20.7946 -20.7946 -20.7165 -20.7165 -14.3955 -14.3955 -8.3276 -8.3276 -5.8031 -5.8031 -5.5943 -5.5943 -5.1094 -5.1094 -4.6814 -4.6814 -4.3891 -4.3891 -4.2951 -4.2951 0.8552 0.8552 2.3172 2.3172 2.4950 2.4950 5.4257 5.4257 5.4554 5.4554 9.5136 9.5136 9.8769 9.8769 10.5892 10.5892 11.4891 11.4891 k = 0.1304 0.1348 0.7398 ( 3260 PWs) bands (ev): -20.7920 -20.7920 -20.7191 -20.7191 -14.3955 -14.3955 -8.3268 -8.3268 -5.8014 -5.8014 -5.5926 -5.5926 -5.0965 -5.0965 -4.6897 -4.6897 -4.3898 -4.3898 -4.3074 -4.3074 0.8562 0.8562 2.3219 2.3219 2.4923 2.4923 5.4272 5.4272 5.4554 5.4554 9.5301 9.5301 9.8850 9.8850 10.6166 10.6166 11.4496 11.4496 k = 0.1413 0.1460 0.7398 ( 3252 PWs) bands (ev): -20.7893 -20.7893 -20.7218 -20.7218 -14.3955 -14.3955 -8.3261 -8.3261 -5.7998 -5.7998 -5.5907 -5.5907 -5.0828 -5.0828 -4.6993 -4.6993 -4.3905 -4.3905 -4.3194 -4.3194 0.8571 0.8571 2.3265 2.3265 2.4897 2.4897 5.4287 5.4287 5.4555 5.4555 9.5466 9.5466 9.8932 9.8932 10.6455 10.6455 11.4091 11.4091 k = 0.1522 0.1572 0.7398 ( 3252 PWs) bands (ev): -20.7865 -20.7865 -20.7248 -20.7248 -14.3955 -14.3955 -8.3254 -8.3254 -5.7984 -5.7984 -5.5887 -5.5887 -5.0682 -5.0682 -4.7101 -4.7101 -4.3913 -4.3913 -4.3308 -4.3308 0.8581 0.8581 2.3309 2.3309 2.4872 2.4872 5.4301 5.4301 5.4555 5.4555 9.5630 9.5630 9.9012 9.9012 10.6755 10.6755 11.3679 11.3679 k = 0.1630 0.1685 0.7398 ( 3252 PWs) bands (ev): -20.7835 -20.7835 -20.7278 -20.7278 -14.3955 -14.3955 -8.3247 -8.3247 -5.7973 -5.7973 -5.5865 -5.5865 -5.0529 -5.0529 -4.7222 -4.7222 -4.3920 -4.3920 -4.3413 -4.3413 0.8590 0.8590 2.3351 2.3351 2.4847 2.4847 5.4314 5.4314 5.4555 5.4555 9.5788 9.5788 9.9089 9.9089 10.7065 10.7065 11.3264 11.3264 k = 0.1739 0.1797 0.7398 ( 3248 PWs) bands (ev): -20.7804 -20.7804 -20.7310 -20.7310 -14.3955 -14.3955 -8.3240 -8.3240 -5.7964 -5.7964 -5.5843 -5.5843 -5.0371 -5.0371 -4.7353 -4.7353 -4.3926 -4.3926 -4.3509 -4.3509 0.8599 0.8599 2.3391 2.3391 2.4825 2.4825 5.4327 5.4327 5.4556 5.4556 9.5937 9.5937 9.9161 9.9161 10.7383 10.7383 11.2848 11.2848 k = 0.1848 0.1909 0.7398 ( 3252 PWs) bands (ev): -20.7771 -20.7771 -20.7343 -20.7343 -14.3955 -14.3955 -8.3235 -8.3235 -5.7956 -5.7956 -5.5821 -5.5821 -5.0209 -5.0209 -4.7493 -4.7493 -4.3933 -4.3933 -4.3593 -4.3593 0.8606 0.8606 2.3426 2.3426 2.4804 2.4804 5.4338 5.4338 5.4556 5.4556 9.6075 9.6075 9.9227 9.9227 10.7709 10.7709 11.2434 11.2434 k = 0.1957 0.2022 0.7398 ( 3252 PWs) bands (ev): -20.7738 -20.7738 -20.7377 -20.7377 -14.3954 -14.3954 -8.3229 -8.3229 -5.7950 -5.7950 -5.5801 -5.5801 -5.0046 -5.0046 -4.7639 -4.7639 -4.3939 -4.3939 -4.3664 -4.3664 0.8613 0.8613 2.3457 2.3457 2.4786 2.4786 5.4348 5.4348 5.4556 5.4556 9.6198 9.6198 9.9286 9.9286 10.8040 10.8040 11.2025 11.2025 k = 0.2065 0.2134 0.7398 ( 3248 PWs) bands (ev): -20.7704 -20.7704 -20.7411 -20.7411 -14.3954 -14.3954 -8.3225 -8.3225 -5.7946 -5.7946 -5.5783 -5.5783 -4.9887 -4.9887 -4.7786 -4.7786 -4.3945 -4.3945 -4.3723 -4.3723 0.8619 0.8619 2.3483 2.3483 2.4771 2.4771 5.4356 5.4356 5.4557 5.4557 9.6303 9.6303 9.9336 9.9336 10.8374 10.8374 11.1625 11.1625 k = 0.2174 0.2246 0.7398 ( 3248 PWs) bands (ev): -20.7670 -20.7670 -20.7446 -20.7446 -14.3954 -14.3954 -8.3222 -8.3222 -5.7943 -5.7943 -5.5769 -5.5769 -4.9739 -4.9739 -4.7925 -4.7925 -4.3950 -4.3950 -4.3767 -4.3767 0.8624 0.8624 2.3504 2.3504 2.4759 2.4759 5.4362 5.4362 5.4557 5.4557 9.6388 9.6388 9.9377 9.9377 10.8706 10.8706 11.1240 11.1240 k = 0.2283 0.2359 0.7398 ( 3250 PWs) bands (ev): -20.7635 -20.7635 -20.7480 -20.7480 -14.3954 -14.3954 -8.3219 -8.3219 -5.7941 -5.7941 -5.5758 -5.5758 -4.9612 -4.9612 -4.8047 -4.8047 -4.3955 -4.3955 -4.3798 -4.3798 0.8627 0.8627 2.3519 2.3519 2.4750 2.4750 5.4367 5.4367 5.4558 5.4558 9.6450 9.6450 9.9406 9.9406 10.9025 10.9025 11.0883 11.0883 k = 0.2391 0.2471 0.7398 ( 3250 PWs) bands (ev): -20.7604 -20.7604 -20.7512 -20.7512 -14.3954 -14.3954 -8.3218 -8.3218 -5.7940 -5.7940 -5.5751 -5.5751 -4.9523 -4.9523 -4.8132 -4.8132 -4.3958 -4.3958 -4.3816 -4.3816 0.8629 0.8629 2.3529 2.3529 2.4745 2.4745 5.4370 5.4370 5.4558 5.4558 9.6488 9.6488 9.9424 9.9424 10.9297 10.9297 11.0587 11.0587 k = 0.2500 0.2583 0.7398 ( 3248 PWs) bands (ev): -20.7585 -20.7585 -20.7530 -20.7530 -14.3954 -14.3954 -8.3217 -8.3217 -5.7939 -5.7939 -5.5749 -5.5749 -4.9490 -4.9490 -4.8164 -4.8164 -4.3959 -4.3959 -4.3822 -4.3822 0.8630 0.8630 2.3532 2.3532 2.4743 2.4743 5.4371 5.4371 5.4558 5.4558 9.6500 9.6500 9.9430 9.9430 10.9421 10.9421 11.0455 11.0455 k = 0.2500 0.2583 0.7398 ( 3248 PWs) bands (ev): -20.7585 -20.7585 -20.7530 -20.7530 -14.3954 -14.3954 -8.3217 -8.3217 -5.7939 -5.7939 -5.5749 -5.5749 -4.9490 -4.9490 -4.8164 -4.8164 -4.3959 -4.3959 -4.3822 -4.3822 0.8630 0.8630 2.3532 2.3532 2.4743 2.4743 5.4371 5.4371 5.4558 5.4558 9.6500 9.6500 9.9430 9.9430 10.9421 10.9421 11.0455 11.0455 k = 0.2407 0.2673 0.7307 ( 3248 PWs) bands (ev): -20.7585 -20.7585 -20.7530 -20.7530 -14.3954 -14.3954 -8.3219 -8.3219 -5.7934 -5.7934 -5.5745 -5.5745 -4.9490 -4.9490 -4.8164 -4.8164 -4.3967 -4.3967 -4.3824 -4.3824 0.8630 0.8630 2.3532 2.3532 2.4742 2.4742 5.4364 5.4364 5.4575 5.4575 9.6512 9.6512 9.9398 9.9398 10.9462 10.9462 11.0470 11.0470 k = 0.2315 0.2762 0.7217 ( 3244 PWs) bands (ev): -20.7586 -20.7586 -20.7530 -20.7530 -14.3953 -14.3953 -8.3224 -8.3224 -5.7920 -5.7920 -5.5736 -5.5736 -4.9488 -4.9488 -4.8165 -4.8165 -4.3991 -4.3991 -4.3829 -4.3829 0.8630 0.8630 2.3533 2.3533 2.4737 2.4737 5.4348 5.4348 5.4620 5.4620 9.6546 9.6546 9.9302 9.9302 10.9585 10.9585 11.0514 11.0514 k = 0.2222 0.2852 0.7126 ( 3250 PWs) bands (ev): -20.7586 -20.7586 -20.7531 -20.7531 -14.3951 -14.3951 -8.3232 -8.3232 -5.7896 -5.7896 -5.5720 -5.5720 -4.9485 -4.9485 -4.8166 -4.8166 -4.4030 -4.4030 -4.3838 -4.3838 0.8630 0.8630 2.3534 2.3534 2.4731 2.4731 5.4333 5.4333 5.4685 5.4685 9.6602 9.6602 9.9147 9.9147 10.9784 10.9784 11.0588 11.0588 k = 0.2130 0.2942 0.7036 ( 3248 PWs) bands (ev): -20.7586 -20.7586 -20.7531 -20.7531 -14.3949 -14.3949 -8.3243 -8.3243 -5.7863 -5.7863 -5.5699 -5.5699 -4.9480 -4.9480 -4.8166 -4.8166 -4.4084 -4.4084 -4.3851 -4.3851 0.8630 0.8630 2.3536 2.3536 2.4721 2.4721 5.4321 5.4321 5.4765 5.4765 9.6679 9.6679 9.8941 9.8941 11.0053 11.0053 11.0692 11.0692 k = 0.2037 0.3031 0.6945 ( 3252 PWs) bands (ev): -20.7586 -20.7586 -20.7531 -20.7531 -14.3946 -14.3946 -8.3257 -8.3257 -5.7821 -5.7821 -5.5672 -5.5672 -4.9474 -4.9474 -4.8164 -4.8164 -4.4152 -4.4152 -4.3870 -4.3870 0.8630 0.8630 2.3538 2.3538 2.4709 2.4709 5.4315 5.4315 5.4857 5.4857 9.6776 9.6776 9.8692 9.8692 11.0385 11.0385 11.0827 11.0827 k = 0.1944 0.3121 0.6855 ( 3254 PWs) bands (ev): -20.7587 -20.7587 -20.7531 -20.7531 -14.3942 -14.3942 -8.3273 -8.3273 -5.7771 -5.7771 -5.5642 -5.5642 -4.9467 -4.9467 -4.8160 -4.8160 -4.4233 -4.4233 -4.3894 -4.3894 0.8630 0.8630 2.3541 2.3541 2.4695 2.4695 5.4313 5.4313 5.4961 5.4961 9.6891 9.6891 9.8408 9.8408 11.0766 11.0766 11.0998 11.0998 k = 0.1852 0.3211 0.6764 ( 3250 PWs) bands (ev): -20.7587 -20.7587 -20.7531 -20.7531 -14.3938 -14.3938 -8.3292 -8.3292 -5.7711 -5.7711 -5.5607 -5.5607 -4.9458 -4.9458 -4.8152 -4.8152 -4.4328 -4.4328 -4.3925 -4.3925 0.8631 0.8631 2.3544 2.3544 2.4679 2.4679 5.4317 5.4317 5.5076 5.5076 9.7021 9.7021 9.8098 9.8098 11.1142 11.1142 11.1255 11.1255 k = 0.1759 0.3300 0.6674 ( 3252 PWs) bands (ev): -20.7588 -20.7588 -20.7531 -20.7531 -14.3933 -14.3933 -8.3313 -8.3313 -5.7644 -5.7644 -5.5570 -5.5570 -4.9448 -4.9448 -4.8140 -4.8140 -4.4435 -4.4435 -4.3961 -4.3961 0.8631 0.8631 2.3547 2.3547 2.4661 2.4661 5.4325 5.4325 5.5199 5.5199 9.7158 9.7158 9.7775 9.7775 11.1400 11.1400 11.1704 11.1704 k = 0.1667 0.3390 0.6583 ( 3256 PWs) bands (ev): -20.7588 -20.7588 -20.7531 -20.7531 -14.3928 -14.3928 -8.3336 -8.3336 -5.7570 -5.7570 -5.5532 -5.5532 -4.9436 -4.9436 -4.8121 -4.8121 -4.4554 -4.4554 -4.4005 -4.4005 0.8632 0.8632 2.3551 2.3551 2.4642 2.4642 5.4338 5.4338 5.5331 5.5331 9.7247 9.7247 9.7499 9.7499 11.1665 11.1665 11.2213 11.2213 k = 0.1574 0.3479 0.6493 ( 3260 PWs) bands (ev): -20.7589 -20.7589 -20.7531 -20.7531 -14.3923 -14.3923 -8.3361 -8.3361 -5.7489 -5.7489 -5.5492 -5.5492 -4.9422 -4.9422 -4.8095 -4.8095 -4.4683 -4.4683 -4.4055 -4.4055 0.8634 0.8634 2.3555 2.3555 2.4622 2.4622 5.4354 5.4354 5.5469 5.5469 9.7016 9.7016 9.7546 9.7546 11.1961 11.1961 11.2756 11.2756 k = 0.1481 0.3569 0.6402 ( 3256 PWs) bands (ev): -20.7589 -20.7589 -20.7532 -20.7532 -14.3917 -14.3917 -8.3387 -8.3387 -5.7402 -5.7402 -5.5454 -5.5454 -4.9405 -4.9405 -4.8062 -4.8062 -4.4823 -4.4823 -4.4114 -4.4114 0.8635 0.8635 2.3559 2.3559 2.4601 2.4601 5.4373 5.4373 5.5613 5.5613 9.6673 9.6673 9.7709 9.7709 11.2290 11.2290 11.3326 11.3326 k = 0.1389 0.3659 0.6312 ( 3260 PWs) bands (ev): -20.7590 -20.7590 -20.7532 -20.7532 -14.3911 -14.3911 -8.3413 -8.3413 -5.7309 -5.7309 -5.5417 -5.5417 -4.9385 -4.9385 -4.8020 -4.8020 -4.4970 -4.4970 -4.4180 -4.4180 0.8637 0.8637 2.3563 2.3563 2.4580 2.4580 5.4394 5.4394 5.5760 5.5760 9.6321 9.6321 9.7887 9.7887 11.2652 11.2652 11.3918 11.3918 k = 0.1296 0.3748 0.6221 ( 3260 PWs) bands (ev): -20.7591 -20.7591 -20.7532 -20.7532 -14.3905 -14.3905 -8.3441 -8.3441 -5.7211 -5.7211 -5.5383 -5.5383 -4.9361 -4.9361 -4.7969 -4.7969 -4.5126 -4.5126 -4.4254 -4.4254 0.8639 0.8639 2.3567 2.3567 2.4558 2.4558 5.4417 5.4417 5.5909 5.5909 9.5972 9.5972 9.8071 9.8071 11.3048 11.3048 11.4527 11.4527 k = 0.1204 0.3838 0.6131 ( 3262 PWs) bands (ev): -20.7591 -20.7591 -20.7532 -20.7532 -14.3899 -14.3899 -8.3468 -8.3468 -5.7110 -5.7110 -5.5353 -5.5353 -4.9332 -4.9332 -4.7908 -4.7908 -4.5287 -4.5287 -4.4337 -4.4337 0.8642 0.8642 2.3571 2.3571 2.4537 2.4537 5.4441 5.4441 5.6058 5.6058 9.5631 9.5631 9.8254 9.8254 11.3478 11.3478 11.5150 11.5150 k = 0.1111 0.3927 0.6040 ( 3264 PWs) bands (ev): -20.7592 -20.7592 -20.7532 -20.7532 -14.3893 -14.3893 -8.3495 -8.3495 -5.7006 -5.7006 -5.5328 -5.5328 -4.9298 -4.9298 -4.7839 -4.7839 -4.5452 -4.5452 -4.4427 -4.4427 0.8645 0.8645 2.3575 2.3575 2.4516 2.4516 5.4466 5.4466 5.6205 5.6205 9.5302 9.5302 9.8436 9.8436 11.3939 11.3939 11.5782 11.5782 k = 0.1019 0.4017 0.5950 ( 3260 PWs) bands (ev): -20.7593 -20.7593 -20.7532 -20.7532 -14.3887 -14.3887 -8.3521 -8.3521 -5.6900 -5.6900 -5.5308 -5.5308 -4.9257 -4.9257 -4.7762 -4.7762 -4.5620 -4.5620 -4.4526 -4.4526 0.8648 0.8648 2.3579 2.3579 2.4496 2.4496 5.4491 5.4491 5.6349 5.6349 9.4987 9.4987 9.8612 9.8612 11.4430 11.4430 11.6417 11.6417 k = 0.0926 0.4107 0.5860 ( 3254 PWs) bands (ev): -20.7593 -20.7593 -20.7533 -20.7533 -14.3881 -14.3881 -8.3546 -8.3546 -5.6793 -5.6793 -5.5295 -5.5295 -4.9211 -4.9211 -4.7676 -4.7676 -4.5788 -4.5788 -4.4632 -4.4632 0.8651 0.8651 2.3582 2.3582 2.4478 2.4478 5.4516 5.4516 5.6487 5.6487 9.4691 9.4691 9.8781 9.8781 11.4949 11.4949 11.7050 11.7050 k = 0.0833 0.4196 0.5769 ( 3252 PWs) bands (ev): -20.7594 -20.7594 -20.7533 -20.7533 -14.3876 -14.3876 -8.3570 -8.3570 -5.6687 -5.6687 -5.5288 -5.5288 -4.9158 -4.9158 -4.7585 -4.7585 -4.5954 -4.5954 -4.4745 -4.4745 0.8654 0.8654 2.3586 2.3586 2.4460 2.4460 5.4540 5.4540 5.6619 5.6619 9.4415 9.4415 9.8941 9.8941 11.5492 11.5492 11.7674 11.7674 k = 0.0741 0.4286 0.5679 ( 3254 PWs) bands (ev): -20.7594 -20.7594 -20.7533 -20.7533 -14.3871 -14.3871 -8.3593 -8.3593 -5.6581 -5.6581 -5.5288 -5.5288 -4.9099 -4.9099 -4.7491 -4.7491 -4.6113 -4.6113 -4.4864 -4.4864 0.8657 0.8657 2.3589 2.3589 2.4444 2.4444 5.4563 5.4563 5.6742 5.6742 9.4161 9.4161 9.9088 9.9088 11.6054 11.6054 11.8281 11.8281 k = 0.0648 0.4375 0.5588 ( 3254 PWs) bands (ev): -20.7595 -20.7595 -20.7533 -20.7533 -14.3866 -14.3866 -8.3613 -8.3613 -5.6479 -5.6479 -5.5295 -5.5295 -4.9034 -4.9034 -4.7398 -4.7398 -4.6261 -4.6261 -4.4988 -4.4988 0.8660 0.8660 2.3591 2.3591 2.4429 2.4429 5.4585 5.4585 5.6854 5.6854 9.3933 9.3933 9.9222 9.9222 11.6628 11.6628 11.8862 11.8862 k = 0.0556 0.4465 0.5498 ( 3262 PWs) bands (ev): -20.7595 -20.7595 -20.7533 -20.7533 -14.3862 -14.3862 -8.3632 -8.3632 -5.6381 -5.6381 -5.5309 -5.5309 -4.8964 -4.8964 -4.7313 -4.7313 -4.6389 -4.6389 -4.5116 -4.5116 0.8663 0.8663 2.3593 2.3593 2.4416 2.4416 5.4604 5.4604 5.6955 5.6955 9.3731 9.3731 9.9342 9.9342 11.7205 11.7205 11.9405 11.9405 k = 0.0463 0.4555 0.5407 ( 3260 PWs) bands (ev): -20.7596 -20.7596 -20.7533 -20.7533 -14.3858 -14.3858 -8.3648 -8.3648 -5.6289 -5.6289 -5.5327 -5.5327 -4.8893 -4.8893 -4.7248 -4.7248 -4.6483 -4.6483 -4.5245 -4.5245 0.8666 0.8666 2.3595 2.3595 2.4405 2.4405 5.4621 5.4621 5.7043 5.7043 9.3557 9.3557 9.9445 9.9445 11.7772 11.7772 11.9900 11.9900 k = 0.0370 0.4644 0.5317 ( 3264 PWs) bands (ev): -20.7596 -20.7596 -20.7533 -20.7533 -14.3855 -14.3855 -8.3661 -8.3661 -5.6205 -5.6205 -5.5350 -5.5350 -4.8822 -4.8822 -4.7219 -4.7219 -4.6528 -4.6528 -4.5374 -4.5374 0.8668 0.8668 2.3597 2.3597 2.4396 2.4396 5.4635 5.4635 5.7116 5.7116 9.3413 9.3413 9.9531 9.9531 11.8310 11.8310 12.0333 12.0333 k = 0.0278 0.4734 0.5226 ( 3270 PWs) bands (ev): -20.7596 -20.7596 -20.7533 -20.7533 -14.3853 -14.3853 -8.3671 -8.3671 -5.6133 -5.6133 -5.5374 -5.5374 -4.8757 -4.8757 -4.7229 -4.7229 -4.6520 -4.6520 -4.5495 -4.5495 0.8670 0.8670 2.3598 2.3598 2.4389 2.4389 5.4647 5.4647 5.7174 5.7174 9.3299 9.3299 9.9599 9.9599 11.8793 11.8793 12.0690 12.0690 k = 0.0185 0.4823 0.5136 ( 3270 PWs) bands (ev): -20.7596 -20.7596 -20.7534 -20.7534 -14.3851 -14.3851 -8.3679 -8.3679 -5.6076 -5.6076 -5.5397 -5.5397 -4.8702 -4.8702 -4.7262 -4.7262 -4.6476 -4.6476 -4.5603 -4.5603 0.8671 0.8671 2.3599 2.3599 2.4383 2.4383 5.4655 5.4655 5.7216 5.7216 9.3218 9.3218 9.9648 9.9648 11.9185 11.9185 12.0960 12.0960 k = 0.0093 0.4913 0.5045 ( 3270 PWs) bands (ev): -20.7596 -20.7596 -20.7534 -20.7534 -14.3850 -14.3850 -8.3684 -8.3684 -5.6039 -5.6039 -5.5413 -5.5413 -4.8665 -4.8665 -4.7292 -4.7292 -4.6429 -4.6429 -4.5681 -4.5681 0.8672 0.8672 2.3599 2.3599 2.4380 2.4380 5.4660 5.4660 5.7242 5.7242 9.3168 9.3168 9.9678 9.9678 11.9447 11.9447 12.1128 12.1128 k = 0.0000 0.5003 0.4955 ( 3270 PWs) bands (ev): -20.7596 -20.7596 -20.7534 -20.7534 -14.3850 -14.3850 -8.3685 -8.3685 -5.6026 -5.6026 -5.5419 -5.5419 -4.8652 -4.8652 -4.7304 -4.7304 -4.6408 -4.6408 -4.5711 -4.5711 0.8673 0.8673 2.3599 2.3599 2.4379 2.4379 5.4662 5.4662 5.7250 5.7250 9.3152 9.3152 9.9688 9.9688 11.9539 11.9539 12.1185 12.1185 k = 0.0000 0.5003 0.4955 ( 3270 PWs) bands (ev): -20.7596 -20.7596 -20.7534 -20.7534 -14.3850 -14.3850 -8.3685 -8.3685 -5.6026 -5.6026 -5.5419 -5.5419 -4.8652 -4.8652 -4.7304 -4.7304 -4.6408 -4.6408 -4.5711 -4.5711 0.8673 0.8673 2.3599 2.3599 2.4379 2.4379 5.4662 5.4662 5.7250 5.7250 9.3152 9.3152 9.9688 9.9688 11.9539 11.9539 12.1185 12.1185 k = 0.0130 0.5069 0.4888 ( 3266 PWs) bands (ev): -20.7600 -20.7600 -20.7530 -20.7530 -14.3850 -14.3850 -8.3687 -8.3687 -5.6046 -5.6046 -5.5404 -5.5404 -4.8679 -4.8679 -4.7270 -4.7270 -4.6414 -4.6414 -4.5699 -4.5699 0.8671 0.8671 2.3600 2.3600 2.4378 2.4378 5.4665 5.4665 5.7248 5.7248 9.3144 9.3144 9.9690 9.9690 11.9525 11.9525 12.1179 12.1179 k = 0.0260 0.5136 0.4820 ( 3264 PWs) bands (ev): -20.7608 -20.7608 -20.7521 -20.7521 -14.3851 -14.3851 -8.3694 -8.3694 -5.6101 -5.6101 -5.5363 -5.5363 -4.8750 -4.8750 -4.7175 -4.7175 -4.6430 -4.6430 -4.5664 -4.5664 0.8666 0.8666 2.3603 2.3603 2.4373 2.4373 5.4674 5.4674 5.7242 5.7242 9.3121 9.3121 9.9696 9.9696 11.9483 11.9483 12.1161 12.1161 k = 0.0390 0.5202 0.4753 ( 3265 PWs) bands (ev): -20.7620 -20.7620 -20.7510 -20.7510 -14.3854 -14.3854 -8.3706 -8.3706 -5.6181 -5.6181 -5.5307 -5.5307 -4.8849 -4.8849 -4.7041 -4.7041 -4.6453 -4.6453 -4.5606 -4.5606 0.8659 0.8659 2.3608 2.3608 2.4365 2.4365 5.4688 5.4688 5.7231 5.7231 9.3084 9.3084 9.9705 9.9705 11.9415 11.9415 12.1132 12.1132 k = 0.0520 0.5269 0.4686 ( 3260 PWs) bands (ev): -20.7632 -20.7632 -20.7498 -20.7498 -14.3857 -14.3857 -8.3722 -8.3722 -5.6279 -5.6279 -5.5242 -5.5242 -4.8960 -4.8960 -4.6886 -4.6886 -4.6478 -4.6478 -4.5527 -4.5527 0.8648 0.8648 2.3615 2.3615 2.4355 2.4355 5.4709 5.4709 5.7216 5.7216 9.3033 9.3033 9.9718 9.9718 11.9319 11.9319 12.1094 12.1094 k = 0.0650 0.5335 0.4619 ( 3257 PWs) bands (ev): -20.7645 -20.7645 -20.7485 -20.7485 -14.3861 -14.3861 -8.3742 -8.3742 -5.6387 -5.6387 -5.5174 -5.5174 -4.9073 -4.9073 -4.6736 -4.6736 -4.6494 -4.6494 -4.5425 -4.5425 0.8635 0.8635 2.3623 2.3623 2.4341 2.4341 5.4735 5.4735 5.7198 5.7198 9.2969 9.2969 9.9735 9.9735 11.9198 11.9198 12.1051 12.1051 k = 0.0780 0.5402 0.4552 ( 3257 PWs) bands (ev): -20.7657 -20.7657 -20.7472 -20.7472 -14.3866 -14.3866 -8.3766 -8.3766 -5.6503 -5.6503 -5.5106 -5.5106 -4.9180 -4.9180 -4.6648 -4.6648 -4.6451 -4.6451 -4.5302 -4.5302 0.8620 0.8620 2.3632 2.3632 2.4325 2.4325 5.4767 5.4767 5.7176 5.7176 9.2895 9.2895 9.9755 9.9755 11.9052 11.9052 12.1005 12.1005 k = 0.0910 0.5469 0.4484 ( 3253 PWs) bands (ev): -20.7670 -20.7670 -20.7459 -20.7459 -14.3871 -14.3871 -8.3794 -8.3794 -5.6625 -5.6625 -5.5038 -5.5038 -4.9278 -4.9278 -4.6651 -4.6651 -4.6327 -4.6327 -4.5155 -4.5155 0.8603 0.8603 2.3642 2.3642 2.4306 2.4306 5.4804 5.4804 5.7150 5.7150 9.2813 9.2813 9.9778 9.9778 11.8883 11.8883 12.0958 12.0958 k = 0.1040 0.5535 0.4417 ( 3257 PWs) bands (ev): -20.7681 -20.7681 -20.7447 -20.7447 -14.3877 -14.3877 -8.3826 -8.3826 -5.6750 -5.6750 -5.4972 -5.4972 -4.9365 -4.9365 -4.6682 -4.6682 -4.6186 -4.6186 -4.4987 -4.4987 0.8584 0.8584 2.3652 2.3652 2.4285 2.4285 5.4846 5.4846 5.7121 5.7121 9.2724 9.2724 9.9803 9.9803 11.8692 11.8692 12.0914 12.0914 k = 0.1170 0.5602 0.4350 ( 3257 PWs) bands (ev): -20.7693 -20.7693 -20.7436 -20.7436 -14.3884 -14.3884 -8.3861 -8.3861 -5.6877 -5.6877 -5.4909 -5.4909 -4.9439 -4.9439 -4.6721 -4.6721 -4.6053 -4.6053 -4.4799 -4.4799 0.8564 0.8564 2.3662 2.3662 2.4262 2.4262 5.4894 5.4894 5.7089 5.7089 9.2630 9.2630 9.9831 9.9831 11.8481 11.8481 12.0873 12.0873 k = 0.1301 0.5668 0.4283 ( 3256 PWs) bands (ev): -20.7703 -20.7703 -20.7426 -20.7426 -14.3892 -14.3892 -8.3900 -8.3900 -5.7005 -5.7005 -5.4848 -5.4848 -4.9500 -4.9500 -4.6761 -4.6761 -4.5928 -4.5928 -4.4598 -4.4598 0.8543 0.8543 2.3671 2.3671 2.4238 2.4238 5.4946 5.4946 5.7054 5.7054 9.2533 9.2533 9.9861 9.9861 11.8251 11.8251 12.0833 12.0833 k = 0.1431 0.5735 0.4216 ( 3264 PWs) bands (ev): -20.7713 -20.7713 -20.7416 -20.7416 -14.3900 -14.3900 -8.3941 -8.3941 -5.7131 -5.7131 -5.4791 -5.4791 -4.9548 -4.9548 -4.6803 -4.6803 -4.5812 -4.5812 -4.4387 -4.4387 0.8521 0.8521 2.3677 2.3677 2.4214 2.4214 5.5003 5.5003 5.7017 5.7017 9.2435 9.2435 9.9893 9.9893 11.8005 11.8005 12.0729 12.0729 k = 0.1561 0.5801 0.4149 ( 3259 PWs) bands (ev): -20.7722 -20.7722 -20.7408 -20.7408 -14.3908 -14.3908 -8.3985 -8.3985 -5.7254 -5.7254 -5.4736 -5.4736 -4.9583 -4.9583 -4.6844 -4.6844 -4.5703 -4.5703 -4.4171 -4.4171 0.8500 0.8500 2.3679 2.3679 2.4192 2.4192 5.5064 5.5064 5.6979 5.6979 9.2338 9.2338 9.9926 9.9926 11.7745 11.7745 12.0180 12.0180 k = 0.1691 0.5868 0.4081 ( 3261 PWs) bands (ev): -20.7729 -20.7729 -20.7400 -20.7400 -14.3916 -14.3916 -8.4030 -8.4030 -5.7373 -5.7373 -5.4685 -5.4685 -4.9606 -4.9606 -4.6885 -4.6885 -4.5598 -4.5598 -4.3956 -4.3956 0.8480 0.8480 2.3675 2.3675 2.4173 2.4173 5.5130 5.5130 5.6939 5.6939 9.2243 9.2243 9.9961 9.9961 11.7472 11.7472 11.9514 11.9514 k = 0.1821 0.5934 0.4014 ( 3255 PWs) bands (ev): -20.7736 -20.7736 -20.7394 -20.7394 -14.3925 -14.3925 -8.4078 -8.4078 -5.7487 -5.7487 -5.4638 -5.4638 -4.9616 -4.9616 -4.6925 -4.6925 -4.5497 -4.5497 -4.3745 -4.3745 0.8461 0.8461 2.3663 2.3663 2.4158 2.4158 5.5198 5.5198 5.6897 5.6897 9.2152 9.2152 9.9996 9.9996 11.7189 11.7189 11.8868 11.8868 k = 0.1951 0.6001 0.3947 ( 3252 PWs) bands (ev): -20.7742 -20.7742 -20.7389 -20.7389 -14.3934 -14.3934 -8.4127 -8.4127 -5.7595 -5.7595 -5.4594 -5.4594 -4.9616 -4.9616 -4.6964 -4.6964 -4.5397 -4.5397 -4.3541 -4.3541 0.8443 0.8443 2.3643 2.3643 2.4149 2.4149 5.5271 5.5271 5.6855 5.6855 9.2064 9.2064 10.0031 10.0031 11.6897 11.6897 11.8254 11.8254 k = 0.2081 0.6067 0.3880 ( 3260 PWs) bands (ev): -20.7746 -20.7746 -20.7386 -20.7386 -14.3942 -14.3942 -8.4178 -8.4178 -5.7694 -5.7694 -5.4555 -5.4555 -4.9605 -4.9605 -4.7002 -4.7002 -4.5298 -4.5298 -4.3347 -4.3347 0.8428 0.8428 2.3612 2.3612 2.4147 2.4147 5.5346 5.5346 5.6813 5.6813 9.1982 9.1982 10.0066 10.0066 11.6599 11.6599 11.7675 11.7675 k = 0.2211 0.6134 0.3813 ( 3262 PWs) bands (ev): -20.7749 -20.7749 -20.7384 -20.7384 -14.3951 -14.3951 -8.4228 -8.4228 -5.7785 -5.7785 -5.4520 -5.4520 -4.9584 -4.9584 -4.7038 -4.7038 -4.5199 -4.5199 -4.3165 -4.3165 0.8415 0.8415 2.3572 2.3572 2.4151 2.4151 5.5423 5.5423 5.6771 5.6771 9.1905 9.1905 10.0100 10.0100 11.6294 11.6294 11.7136 11.7136 k = 0.2341 0.6201 0.3745 ( 3258 PWs) bands (ev): -20.7751 -20.7751 -20.7384 -20.7384 -14.3959 -14.3959 -8.4280 -8.4280 -5.7866 -5.7866 -5.4490 -5.4490 -4.9555 -4.9555 -4.7073 -4.7073 -4.5100 -4.5100 -4.2998 -4.2998 0.8404 0.8404 2.3523 2.3523 2.4161 2.4161 5.5502 5.5502 5.6731 5.6731 9.1833 9.1833 10.0133 10.0133 11.5984 11.5984 11.6639 11.6639 k = 0.2471 0.6267 0.3678 ( 3262 PWs) bands (ev): -20.7752 -20.7752 -20.7386 -20.7386 -14.3966 -14.3966 -8.4331 -8.4331 -5.7936 -5.7936 -5.4464 -5.4464 -4.9517 -4.9517 -4.7106 -4.7106 -4.5002 -4.5002 -4.2846 -4.2846 0.8397 0.8397 2.3465 2.3465 2.4175 2.4175 5.5583 5.5583 5.6691 5.6691 9.1767 9.1767 10.0164 10.0164 11.5670 11.5670 11.6186 11.6186 k = 0.2601 0.6334 0.3611 ( 3262 PWs) bands (ev): -20.7751 -20.7751 -20.7389 -20.7389 -14.3974 -14.3974 -8.4381 -8.4381 -5.7995 -5.7995 -5.4444 -5.4444 -4.9472 -4.9472 -4.7138 -4.7138 -4.4902 -4.4902 -4.2712 -4.2712 0.8392 0.8392 2.3401 2.3401 2.4193 2.4193 5.5665 5.5665 5.6654 5.6654 9.1704 9.1704 10.0193 10.0193 11.5354 11.5354 11.5777 11.5777 k = 0.2731 0.6400 0.3544 ( 3254 PWs) bands (ev): -20.7749 -20.7749 -20.7395 -20.7395 -14.3980 -14.3980 -8.4431 -8.4431 -5.8042 -5.8042 -5.4428 -5.4428 -4.9421 -4.9421 -4.7168 -4.7168 -4.4803 -4.4803 -4.2596 -4.2596 0.8391 0.8391 2.3332 2.3332 2.4212 2.4212 5.5747 5.5747 5.6619 5.6619 9.1646 9.1646 10.0221 10.0221 11.5039 11.5039 11.5409 11.5409 k = 0.2861 0.6467 0.3477 ( 3260 PWs) bands (ev): -20.7745 -20.7745 -20.7402 -20.7402 -14.3986 -14.3986 -8.4479 -8.4479 -5.8076 -5.8076 -5.4417 -5.4417 -4.9365 -4.9365 -4.7196 -4.7196 -4.4703 -4.4703 -4.2499 -4.2499 0.8394 0.8394 2.3257 2.3257 2.4234 2.4234 5.5828 5.5828 5.6588 5.6588 9.1592 9.1592 10.0245 10.0245 11.4730 11.4730 11.5081 11.5081 k = 0.2991 0.6533 0.3409 ( 3256 PWs) bands (ev): -20.7740 -20.7740 -20.7411 -20.7411 -14.3991 -14.3991 -8.4526 -8.4526 -5.8097 -5.8097 -5.4412 -5.4412 -4.9304 -4.9304 -4.7221 -4.7221 -4.4603 -4.4603 -4.2423 -4.2423 0.8399 0.8399 2.3179 2.3179 2.4256 2.4256 5.5908 5.5908 5.6561 5.6561 9.1540 9.1540 10.0266 10.0266 11.4425 11.4425 11.4794 11.4794 k = 0.3121 0.6600 0.3342 ( 3258 PWs) bands (ev): -20.7734 -20.7734 -20.7422 -20.7422 -14.3995 -14.3995 -8.4571 -8.4571 -5.8106 -5.8106 -5.4411 -5.4411 -4.9239 -4.9239 -4.7245 -4.7245 -4.4504 -4.4504 -4.2367 -4.2367 0.8408 0.8408 2.3097 2.3097 2.4278 2.4278 5.5985 5.5985 5.6539 5.6539 9.1490 9.1490 10.0284 10.0284 11.4116 11.4116 11.4555 11.4555 k = 0.3251 0.6666 0.3275 ( 3258 PWs) bands (ev): -20.7726 -20.7726 -20.7435 -20.7435 -14.3997 -14.3997 -8.4614 -8.4614 -5.8100 -5.8100 -5.4415 -5.4415 -4.9171 -4.9171 -4.7265 -4.7265 -4.4404 -4.4404 -4.2331 -4.2331 0.8419 0.8419 2.3012 2.3012 2.4300 2.4300 5.6058 5.6058 5.6524 5.6524 9.1441 9.1441 10.0298 10.0298 11.3796 11.3796 11.4371 11.4371 k = 0.3381 0.6733 0.3208 ( 3260 PWs) bands (ev): -20.7716 -20.7716 -20.7450 -20.7450 -14.3999 -14.3999 -8.4655 -8.4655 -5.8082 -5.8082 -5.4424 -5.4424 -4.9102 -4.9102 -4.7283 -4.7283 -4.4306 -4.4306 -4.2317 -4.2317 0.8434 0.8434 2.2926 2.2926 2.4320 2.4320 5.6124 5.6124 5.6519 5.6519 9.1393 9.1393 10.0307 10.0307 11.3462 11.3462 11.4244 11.4244 k = 0.3381 0.6733 0.3208 ( 3260 PWs) bands (ev): -20.7716 -20.7716 -20.7450 -20.7450 -14.3999 -14.3999 -8.4655 -8.4655 -5.8082 -5.8082 -5.4424 -5.4424 -4.9102 -4.9102 -4.7283 -4.7283 -4.4306 -4.4306 -4.2317 -4.2317 0.8434 0.8434 2.2926 2.2926 2.4320 2.4320 5.6124 5.6124 5.6519 5.6519 9.1393 9.1393 10.0307 10.0307 11.3462 11.3462 11.4244 11.4244 k = 0.3446 0.6670 0.3080 ( 3264 PWs) bands (ev): -20.7697 -20.7697 -20.7481 -20.7481 -14.4000 -14.4000 -8.4729 -8.4729 -5.8031 -5.8031 -5.4446 -5.4446 -4.8969 -4.8969 -4.7311 -4.7311 -4.4119 -4.4119 -4.2309 -4.2309 0.8462 0.8462 2.2756 2.2756 2.4357 2.4357 5.6237 5.6237 5.6525 5.6525 9.1297 9.1297 10.0318 10.0318 11.2815 11.2815 11.4060 11.4060 k = 0.3511 0.6608 0.2951 ( 3266 PWs) bands (ev): -20.7679 -20.7679 -20.7511 -20.7511 -14.4000 -14.4000 -8.4802 -8.4802 -5.7977 -5.7977 -5.4466 -5.4466 -4.8839 -4.8839 -4.7331 -4.7331 -4.3936 -4.3936 -4.2302 -4.2302 0.8490 0.8490 2.2580 2.2580 2.4392 2.4392 5.6331 5.6331 5.6555 5.6555 9.1192 9.1192 10.0325 10.0325 11.2189 11.2189 11.3873 11.3873 k = 0.3576 0.6545 0.2823 ( 3270 PWs) bands (ev): -20.7663 -20.7663 -20.7541 -20.7541 -14.3999 -14.3999 -8.4875 -8.4875 -5.7919 -5.7919 -5.4486 -5.4486 -4.8715 -4.8715 -4.7342 -4.7342 -4.3755 -4.3755 -4.2296 -4.2296 0.8516 0.8516 2.2398 2.2398 2.4426 2.4426 5.6390 5.6390 5.6625 5.6625 9.1077 9.1077 10.0328 10.0328 11.1587 11.1587 11.3683 11.3683 k = 0.3640 0.6482 0.2695 ( 3262 PWs) bands (ev): -20.7647 -20.7647 -20.7570 -20.7570 -14.3997 -14.3997 -8.4946 -8.4946 -5.7858 -5.7858 -5.4506 -5.4506 -4.8599 -4.8599 -4.7341 -4.7341 -4.3579 -4.3579 -4.2291 -4.2291 0.8541 0.8541 2.2212 2.2212 2.4458 2.4458 5.6421 5.6421 5.6726 5.6726 9.0950 9.0950 10.0327 10.0327 11.1011 11.1011 11.3492 11.3492 k = 0.3705 0.6420 0.2566 ( 3258 PWs) bands (ev): -20.7633 -20.7633 -20.7599 -20.7599 -14.3995 -14.3995 -8.5016 -8.5016 -5.7792 -5.7792 -5.4526 -5.4526 -4.8495 -4.8495 -4.7326 -4.7326 -4.3406 -4.3406 -4.2286 -4.2286 0.8565 0.8565 2.2022 2.2022 2.4488 2.4488 5.6439 5.6439 5.6842 5.6842 9.0811 9.0811 10.0324 10.0324 11.0464 11.0464 11.3302 11.3302 k = 0.3770 0.6357 0.2438 ( 3258 PWs) bands (ev): -20.7626 -20.7626 -20.7619 -20.7619 -14.3992 -14.3992 -8.5084 -8.5084 -5.7723 -5.7723 -5.4547 -5.4547 -4.8406 -4.8406 -4.7296 -4.7296 -4.3238 -4.3238 -4.2282 -4.2282 0.8588 0.8588 2.1830 2.1830 2.4517 2.4517 5.6454 5.6454 5.6962 5.6962 9.0659 9.0659 10.0317 10.0317 10.9944 10.9944 11.3114 11.3114 k = 0.3835 0.6294 0.2310 ( 3260 PWs) bands (ev): -20.7653 -20.7653 -20.7607 -20.7607 -14.3988 -14.3988 -8.5150 -8.5150 -5.7650 -5.7650 -5.4570 -5.4570 -4.8335 -4.8335 -4.7248 -4.7248 -4.3075 -4.3075 -4.2277 -4.2277 0.8610 0.8610 2.1637 2.1637 2.4545 2.4545 5.6469 5.6469 5.7083 5.7083 9.0494 9.0494 10.0309 10.0309 10.9455 10.9455 11.2931 11.2931 k = 0.3899 0.6232 0.2181 ( 3260 PWs) bands (ev): -20.7679 -20.7679 -20.7595 -20.7595 -14.3984 -14.3984 -8.5215 -8.5215 -5.7573 -5.7573 -5.4594 -5.4594 -4.8281 -4.8281 -4.7184 -4.7184 -4.2919 -4.2919 -4.2273 -4.2273 0.8630 0.8630 2.1444 2.1444 2.4572 2.4572 5.6484 5.6484 5.7203 5.7203 9.0318 9.0318 10.0298 10.0298 10.8994 10.8994 11.2754 11.2754 k = 0.3964 0.6169 0.2053 ( 3260 PWs) bands (ev): -20.7704 -20.7704 -20.7585 -20.7585 -14.3979 -14.3979 -8.5277 -8.5277 -5.7494 -5.7494 -5.4619 -5.4619 -4.8245 -4.8245 -4.7105 -4.7105 -4.2770 -4.2770 -4.2266 -4.2266 0.8650 0.8650 2.1252 2.1252 2.4598 2.4598 5.6501 5.6501 5.7321 5.7321 9.0130 9.0130 10.0286 10.0286 10.8563 10.8563 11.2582 11.2582 k = 0.4029 0.6106 0.1925 ( 3256 PWs) bands (ev): -20.7727 -20.7727 -20.7575 -20.7575 -14.3974 -14.3974 -8.5336 -8.5336 -5.7411 -5.7411 -5.4647 -5.4647 -4.8223 -4.8223 -4.7014 -4.7014 -4.2631 -4.2631 -4.2256 -4.2256 0.8668 0.8668 2.1063 2.1063 2.4623 2.4623 5.6519 5.6519 5.7435 5.7435 8.9934 8.9934 10.0273 10.0273 10.8162 10.8162 11.2417 11.2417 k = 0.4094 0.6044 0.1796 ( 3260 PWs) bands (ev): -20.7750 -20.7750 -20.7567 -20.7567 -14.3969 -14.3969 -8.5392 -8.5392 -5.7326 -5.7326 -5.4678 -5.4678 -4.8212 -4.8212 -4.6916 -4.6916 -4.2508 -4.2508 -4.2237 -4.2237 0.8685 0.8685 2.0877 2.0877 2.4647 2.4647 5.6538 5.6538 5.7545 5.7545 8.9731 8.9731 10.0259 10.0259 10.7790 10.7790 11.2260 11.2260 k = 0.4158 0.5981 0.1668 ( 3260 PWs) bands (ev): -20.7771 -20.7771 -20.7559 -20.7559 -14.3964 -14.3964 -8.5446 -8.5446 -5.7239 -5.7239 -5.4711 -5.4711 -4.8209 -4.8209 -4.6814 -4.6814 -4.2415 -4.2415 -4.2195 -4.2195 0.8701 0.8701 2.0697 2.0697 2.4670 2.4670 5.6557 5.6557 5.7650 5.7650 8.9524 8.9524 10.0245 10.0245 10.7447 10.7447 11.2111 11.2111 k = 0.4223 0.5918 0.1540 ( 3260 PWs) bands (ev): -20.7791 -20.7791 -20.7552 -20.7552 -14.3959 -14.3959 -8.5496 -8.5496 -5.7150 -5.7150 -5.4746 -5.4746 -4.8213 -4.8213 -4.6712 -4.6712 -4.2363 -4.2363 -4.2120 -4.2120 0.8715 0.8715 2.0523 2.0523 2.4692 2.4692 5.6576 5.6576 5.7751 5.7751 8.9316 8.9316 10.0231 10.0231 10.7132 10.7132 11.1970 11.1970 k = 0.4288 0.5856 0.1411 ( 3260 PWs) bands (ev): -20.7809 -20.7809 -20.7546 -20.7546 -14.3954 -14.3954 -8.5543 -8.5543 -5.7060 -5.7060 -5.4784 -5.4784 -4.8221 -4.8221 -4.6611 -4.6611 -4.2340 -4.2340 -4.2023 -4.2023 0.8729 0.8729 2.0357 2.0357 2.4714 2.4714 5.6595 5.6595 5.7845 5.7845 8.9109 8.9109 10.0217 10.0217 10.6846 10.6846 11.1838 11.1838 k = 0.4353 0.5793 0.1283 ( 3246 PWs) bands (ev): -20.7826 -20.7826 -20.7540 -20.7540 -14.3949 -14.3949 -8.5587 -8.5587 -5.6970 -5.6970 -5.4824 -5.4824 -4.8231 -4.8231 -4.6515 -4.6515 -4.2330 -4.2330 -4.1922 -4.1922 0.8741 0.8741 2.0200 2.0200 2.4734 2.4734 5.6614 5.6614 5.7933 5.7933 8.8906 8.8906 10.0203 10.0203 10.6587 10.6587 11.1714 11.1714 k = 0.4417 0.5730 0.1155 ( 3250 PWs) bands (ev): -20.7842 -20.7842 -20.7535 -20.7535 -14.3945 -14.3945 -8.5627 -8.5627 -5.6881 -5.6881 -5.4866 -5.4866 -4.8243 -4.8243 -4.6423 -4.6423 -4.2325 -4.2325 -4.1825 -4.1825 0.8753 0.8753 2.0054 2.0054 2.4753 2.4753 5.6632 5.6632 5.8014 5.8014 8.8712 8.8712 10.0190 10.0190 10.6356 10.6356 11.1600 11.1600 k = 0.4482 0.5668 0.1027 ( 3258 PWs) bands (ev): -20.7856 -20.7856 -20.7531 -20.7531 -14.3941 -14.3941 -8.5663 -8.5663 -5.6793 -5.6793 -5.4910 -5.4910 -4.8256 -4.8256 -4.6339 -4.6339 -4.2323 -4.2323 -4.1734 -4.1734 0.8763 0.8763 1.9919 1.9919 2.4770 2.4770 5.6649 5.6649 5.8088 5.8088 8.8529 8.8529 10.0178 10.0178 10.6151 10.6151 11.1496 11.1496 k = 0.4547 0.5605 0.0898 ( 3254 PWs) bands (ev): -20.7868 -20.7868 -20.7527 -20.7527 -14.3937 -14.3937 -8.5695 -8.5695 -5.6709 -5.6709 -5.4955 -5.4955 -4.8268 -4.8268 -4.6263 -4.6263 -4.2322 -4.2322 -4.1652 -4.1652 0.8772 0.8772 1.9797 1.9797 2.4786 2.4786 5.6665 5.6665 5.8155 5.8155 8.8359 8.8359 10.0167 10.0167 10.5971 10.5971 11.1403 11.1403 k = 0.4612 0.5542 0.0770 ( 3246 PWs) bands (ev): -20.7879 -20.7879 -20.7524 -20.7524 -14.3933 -14.3933 -8.5723 -8.5723 -5.6629 -5.6629 -5.4999 -5.4999 -4.8280 -4.8280 -4.6195 -4.6195 -4.2322 -4.2322 -4.1579 -4.1579 0.8779 0.8779 1.9689 1.9689 2.4801 2.4801 5.6679 5.6679 5.8213 5.8213 8.8207 8.8207 10.0157 10.0157 10.5817 10.5817 11.1320 11.1320 k = 0.4676 0.5480 0.0642 ( 3238 PWs) bands (ev): -20.7889 -20.7889 -20.7521 -20.7521 -14.3930 -14.3930 -8.5747 -8.5747 -5.6555 -5.6555 -5.5043 -5.5043 -4.8291 -4.8291 -4.6136 -4.6136 -4.2322 -4.2322 -4.1516 -4.1516 0.8786 0.8786 1.9596 1.9596 2.4813 2.4813 5.6692 5.6692 5.8263 5.8263 8.8073 8.8073 10.0148 10.0148 10.5688 10.5688 11.1249 11.1249 k = 0.4741 0.5417 0.0513 ( 3238 PWs) bands (ev): -20.7896 -20.7896 -20.7519 -20.7519 -14.3927 -14.3927 -8.5767 -8.5767 -5.6489 -5.6489 -5.5083 -5.5083 -4.8300 -4.8300 -4.6088 -4.6088 -4.2322 -4.2322 -4.1464 -4.1464 0.8791 0.8791 1.9519 1.9519 2.4823 2.4823 5.6702 5.6702 5.8304 5.8304 8.7961 8.7961 10.0141 10.0141 10.5583 10.5583 11.1191 11.1191 k = 0.4806 0.5354 0.0385 ( 3234 PWs) bands (ev): -20.7902 -20.7902 -20.7517 -20.7517 -14.3925 -14.3925 -8.5782 -8.5782 -5.6433 -5.6433 -5.5117 -5.5117 -4.8308 -4.8308 -4.6050 -4.6050 -4.2323 -4.2323 -4.1423 -4.1423 0.8795 0.8795 1.9458 1.9458 2.4832 2.4832 5.6711 5.6711 5.8336 5.8336 8.7871 8.7871 10.0135 10.0135 10.5501 10.5501 11.1144 11.1144 k = 0.4871 0.5292 0.0257 ( 3234 PWs) bands (ev): -20.7907 -20.7907 -20.7516 -20.7516 -14.3924 -14.3924 -8.5793 -8.5793 -5.6391 -5.6391 -5.5145 -5.5145 -4.8313 -4.8313 -4.6022 -4.6022 -4.2323 -4.2323 -4.1394 -4.1394 0.8798 0.8798 1.9414 1.9414 2.4838 2.4838 5.6717 5.6717 5.8359 5.8359 8.7806 8.7806 10.0131 10.0131 10.5443 10.5443 11.1111 11.1111 k = 0.4935 0.5229 0.0128 ( 3238 PWs) bands (ev): -20.7909 -20.7909 -20.7515 -20.7515 -14.3923 -14.3923 -8.5800 -8.5800 -5.6365 -5.6365 -5.5162 -5.5162 -4.8316 -4.8316 -4.6006 -4.6006 -4.2323 -4.2323 -4.1376 -4.1376 0.8800 0.8800 1.9388 1.9388 2.4841 2.4841 5.6720 5.6720 5.8373 5.8373 8.7767 8.7767 10.0128 10.0128 10.5409 10.5409 11.1091 11.1091 k = 0.5000 0.5166-0.0000 ( 3234 PWs) bands (ev): -20.7910 -20.7910 -20.7515 -20.7515 -14.3923 -14.3923 -8.5802 -8.5802 -5.6356 -5.6356 -5.5168 -5.5168 -4.8318 -4.8318 -4.6000 -4.6000 -4.2324 -4.2324 -4.1370 -4.1370 0.8801 0.8801 1.9379 1.9379 2.4842 2.4842 5.6722 5.6722 5.8378 5.8378 8.7754 8.7754 10.0128 10.0128 10.5397 10.5397 11.1084 11.1084 k = 0.5000 0.5166-0.0000 ( 3234 PWs) bands (ev): -20.7910 -20.7910 -20.7515 -20.7515 -14.3923 -14.3923 -8.5802 -8.5802 -5.6356 -5.6356 -5.5168 -5.5168 -4.8318 -4.8318 -4.6000 -4.6000 -4.2324 -4.2324 -4.1370 -4.1370 0.8801 0.8801 1.9379 1.9379 2.4842 2.4842 5.6722 5.6722 5.8378 5.8378 8.7754 8.7754 10.0128 10.0128 10.5397 10.5397 11.1084 11.1084 k = 0.4889 0.5052-0.0000 ( 3236 PWs) bands (ev): -20.7912 -20.7912 -20.7514 -20.7514 -14.3921 -14.3921 -8.5799 -8.5799 -5.6350 -5.6350 -5.5169 -5.5169 -4.8319 -4.8319 -4.6001 -4.6001 -4.2335 -4.2335 -4.1371 -4.1371 0.8799 0.8799 1.9382 1.9382 2.4839 2.4839 5.6725 5.6725 5.8374 5.8374 8.7770 8.7770 10.0124 10.0124 10.5360 10.5360 11.1127 11.1127 k = 0.4778 0.4937-0.0000 ( 3238 PWs) bands (ev): -20.7917 -20.7917 -20.7510 -20.7510 -14.3917 -14.3917 -8.5789 -8.5789 -5.6332 -5.6332 -5.5170 -5.5170 -4.8323 -4.8323 -4.6001 -4.6001 -4.2369 -4.2369 -4.1376 -4.1376 0.8793 0.8793 1.9391 1.9391 2.4831 2.4831 5.6737 5.6737 5.8362 5.8362 8.7819 8.7819 10.0112 10.0112 10.5247 10.5247 11.1253 11.1253 k = 0.4667 0.4822-0.0000 ( 3244 PWs) bands (ev): -20.7925 -20.7925 -20.7504 -20.7504 -14.3911 -14.3911 -8.5774 -8.5774 -5.6303 -5.6303 -5.5172 -5.5172 -4.8331 -4.8331 -4.6003 -4.6003 -4.2425 -4.2425 -4.1383 -4.1383 0.8783 0.8783 1.9406 1.9406 2.4816 2.4816 5.6756 5.6756 5.8342 5.8342 8.7901 8.7901 10.0092 10.0092 10.5062 10.5062 11.1464 11.1464 k = 0.4556 0.4707-0.0000 ( 3242 PWs) bands (ev): -20.7937 -20.7937 -20.7495 -20.7495 -14.3902 -14.3902 -8.5752 -8.5752 -5.6264 -5.6264 -5.5174 -5.5174 -4.8341 -4.8341 -4.6004 -4.6004 -4.2503 -4.2503 -4.1392 -4.1392 0.8768 0.8768 1.9428 1.9428 2.4795 2.4795 5.6782 5.6782 5.8314 5.8314 8.8013 8.8013 10.0063 10.0063 10.4807 10.4807 11.1758 11.1758 k = 0.4444 0.4592-0.0000 ( 3248 PWs) bands (ev): -20.7952 -20.7952 -20.7484 -20.7484 -14.3890 -14.3890 -8.5723 -8.5723 -5.6215 -5.6215 -5.5177 -5.5177 -4.8353 -4.8353 -4.6007 -4.6007 -4.2602 -4.2602 -4.1405 -4.1405 0.8750 0.8750 1.9454 1.9454 2.4769 2.4769 5.6816 5.6816 5.8278 5.8278 8.8156 8.8156 10.0025 10.0025 10.4487 10.4487 11.2136 11.2136 k = 0.4333 0.4478-0.0000 ( 3252 PWs) bands (ev): -20.7970 -20.7970 -20.7470 -20.7470 -14.3876 -14.3876 -8.5689 -8.5689 -5.6157 -5.6157 -5.5178 -5.5178 -4.8368 -4.8368 -4.6009 -4.6009 -4.2720 -4.2720 -4.1420 -4.1420 0.8729 0.8729 1.9487 1.9487 2.4737 2.4737 5.6857 5.6857 5.8236 5.8236 8.8326 8.8326 9.9976 9.9976 10.4109 10.4109 11.2595 11.2595 k = 0.4222 0.4363-0.0000 ( 3246 PWs) bands (ev): -20.7991 -20.7991 -20.7454 -20.7454 -14.3860 -14.3860 -8.5649 -8.5649 -5.6093 -5.6093 -5.5178 -5.5178 -4.8385 -4.8385 -4.6013 -4.6013 -4.2857 -4.2857 -4.1438 -4.1438 0.8703 0.8703 1.9525 1.9525 2.4699 2.4699 5.6905 5.6905 5.8186 5.8186 8.8523 8.8523 9.9916 9.9916 10.3678 10.3678 11.3136 11.3136 k = 0.4111 0.4248-0.0000 ( 3250 PWs) bands (ev): -20.8015 -20.8015 -20.7436 -20.7436 -14.3841 -14.3841 -8.5603 -8.5603 -5.6026 -5.6026 -5.5173 -5.5173 -4.8403 -4.8403 -4.6017 -4.6017 -4.3011 -4.3011 -4.1458 -4.1458 0.8674 0.8674 1.9568 1.9568 2.4656 2.4656 5.6960 5.6960 5.8129 5.8129 8.8742 8.8742 9.9843 9.9843 10.3202 10.3202 11.3757 11.3757 k = 0.4000 0.4133-0.0000 ( 3254 PWs) bands (ev): -20.8042 -20.8042 -20.7415 -20.7415 -14.3820 -14.3820 -8.5552 -8.5552 -5.5959 -5.5959 -5.5160 -5.5160 -4.8422 -4.8422 -4.6023 -4.6023 -4.3180 -4.3180 -4.1481 -4.1481 0.8642 0.8642 1.9617 1.9617 2.4606 2.4606 5.7021 5.7021 5.8066 5.8066 8.8980 8.8980 9.9757 9.9757 10.2689 10.2689 11.4457 11.4457 k = 0.3889 0.4018-0.0000 ( 3250 PWs) bands (ev): -20.8072 -20.8072 -20.7393 -20.7393 -14.3797 -14.3797 -8.5495 -8.5495 -5.5899 -5.5899 -5.5136 -5.5136 -4.8443 -4.8443 -4.6030 -4.6030 -4.3362 -4.3362 -4.1507 -4.1507 0.8606 0.8606 1.9670 1.9670 2.4552 2.4552 5.7089 5.7089 5.7998 5.7998 8.9233 8.9233 9.9656 9.9656 10.2150 10.2150 11.5233 11.5233 k = 0.3778 0.3904-0.0000 ( 3246 PWs) bands (ev): -20.8104 -20.8104 -20.7369 -20.7369 -14.3772 -14.3772 -8.5432 -8.5432 -5.5850 -5.5850 -5.5095 -5.5095 -4.8464 -4.8464 -4.6039 -4.6039 -4.3554 -4.3554 -4.1534 -4.1534 0.8568 0.8568 1.9727 1.9727 2.4491 2.4491 5.7162 5.7162 5.7925 5.7925 8.9493 8.9493 9.9538 9.9538 10.1594 10.1594 11.6084 11.6084 k = 0.3667 0.3789-0.0000 ( 3244 PWs) bands (ev): -20.8138 -20.8138 -20.7342 -20.7342 -14.3746 -14.3746 -8.5365 -8.5365 -5.5820 -5.5820 -5.5034 -5.5034 -4.8485 -4.8485 -4.6051 -4.6051 -4.3753 -4.3753 -4.1564 -4.1564 0.8527 0.8527 1.9789 1.9789 2.4426 2.4426 5.7239 5.7239 5.7848 5.7848 8.9753 8.9753 9.9403 9.9403 10.1035 10.1035 11.7008 11.7008 k = 0.3556 0.3674-0.0000 ( 3248 PWs) bands (ev): -20.8175 -20.8175 -20.7314 -20.7314 -14.3718 -14.3718 -8.5293 -8.5293 -5.5810 -5.5810 -5.4949 -5.4949 -4.8506 -4.8506 -4.6069 -4.6069 -4.3956 -4.3956 -4.1595 -4.1595 0.8483 0.8483 1.9854 1.9854 2.4356 2.4356 5.7318 5.7318 5.7770 5.7770 9.0001 9.0001 9.9250 9.9250 10.0486 10.0486 11.8001 11.8001 k = 0.3444 0.3559-0.0000 ( 3252 PWs) bands (ev): -20.8213 -20.8213 -20.7285 -20.7285 -14.3688 -14.3688 -8.5217 -8.5217 -5.5819 -5.5819 -5.4845 -5.4845 -4.8527 -4.8527 -4.6094 -4.6094 -4.4158 -4.4158 -4.1628 -4.1628 0.8436 0.8436 1.9924 1.9924 2.4280 2.4280 5.7391 5.7391 5.7699 5.7699 9.0225 9.0225 9.9078 9.9078 9.9966 9.9966 11.9061 11.9061 k = 0.3333 0.3444-0.0000 ( 3258 PWs) bands (ev): -20.8254 -20.8254 -20.7254 -20.7254 -14.3658 -14.3658 -8.5136 -8.5136 -5.5845 -5.5845 -5.4725 -5.4725 -4.8548 -4.8548 -4.6131 -4.6131 -4.4351 -4.4351 -4.1663 -4.1663 0.8388 0.8388 1.9996 1.9996 2.4200 2.4200 5.7432 5.7432 5.7663 5.7663 9.0406 9.0406 9.8886 9.8886 9.9494 9.9494 12.0181 12.0181 k = 0.3222 0.3330-0.0000 ( 3254 PWs) bands (ev): -20.8296 -20.8296 -20.7222 -20.7222 -14.3626 -14.3626 -8.5051 -8.5051 -5.5886 -5.5886 -5.4592 -5.4592 -4.8567 -4.8567 -4.6184 -4.6184 -4.4530 -4.4530 -4.1699 -4.1699 0.8338 0.8338 2.0071 2.0071 2.4115 2.4115 5.7400 5.7400 5.7700 5.7700 9.0523 9.0523 9.8674 9.8674 9.9094 9.9094 12.1357 12.1357 k = 0.3111 0.3215-0.0000 ( 3246 PWs) bands (ev): -20.8339 -20.8339 -20.7188 -20.7188 -14.3593 -14.3593 -8.4963 -8.4963 -5.5938 -5.5938 -5.4450 -5.4450 -4.8587 -4.8587 -4.6258 -4.6258 -4.4687 -4.4687 -4.1736 -4.1736 0.8286 0.8286 2.0150 2.0150 2.4027 2.4027 5.7322 5.7322 5.7785 5.7785 9.0555 9.0555 9.8443 9.8443 9.8790 9.8790 12.2291 12.2291 k = 0.3000 0.3100-0.0000 ( 3244 PWs) bands (ev): -20.8383 -20.8383 -20.7154 -20.7154 -14.3559 -14.3559 -8.4872 -8.4872 -5.6002 -5.6002 -5.4302 -5.4302 -4.8607 -4.8607 -4.6359 -4.6359 -4.4812 -4.4812 -4.1773 -4.1773 0.8232 0.8232 2.0230 2.0230 2.3934 2.3934 5.7228 5.7228 5.7888 5.7888 9.0484 9.0484 9.8193 9.8193 9.8601 9.8601 12.2454 12.2454 k = 0.2889 0.2985-0.0000 ( 3249 PWs) bands (ev): -20.8429 -20.8429 -20.7119 -20.7119 -14.3525 -14.3525 -8.4778 -8.4778 -5.6074 -5.6074 -5.4152 -5.4152 -4.8627 -4.8627 -4.6487 -4.6487 -4.4904 -4.4904 -4.1812 -4.1812 0.8178 0.8178 2.0313 2.0313 2.3838 2.3838 5.7128 5.7128 5.7999 5.7999 9.0298 9.0298 9.7925 9.7925 9.8540 9.8540 12.2619 12.2619 k = 0.2778 0.2870-0.0000 ( 3253 PWs) bands (ev): -20.8475 -20.8475 -20.7083 -20.7083 -14.3491 -14.3491 -8.4682 -8.4682 -5.6154 -5.6154 -5.3999 -5.3999 -4.8650 -4.8650 -4.6639 -4.6639 -4.4960 -4.4960 -4.1850 -4.1850 0.8122 0.8122 2.0397 2.0397 2.3739 2.3739 5.7024 5.7024 5.8116 5.8116 9.0000 9.0000 9.7639 9.7639 9.8606 9.8606 12.2787 12.2787 k = 0.2667 0.2755-0.0000 ( 3251 PWs) bands (ev): -20.8521 -20.8521 -20.7046 -20.7046 -14.3456 -14.3456 -8.4584 -8.4584 -5.6242 -5.6242 -5.3848 -5.3848 -4.8677 -4.8677 -4.6809 -4.6809 -4.4986 -4.4986 -4.1889 -4.1889 0.8066 0.8066 2.0482 2.0482 2.3637 2.3637 5.6918 5.6918 5.8236 5.8236 8.9602 8.9602 9.7338 9.7338 9.8785 9.8785 12.2956 12.2956 k = 0.2556 0.2641-0.0000 ( 3257 PWs) bands (ev): -20.8568 -20.8568 -20.7009 -20.7009 -14.3421 -14.3421 -8.4484 -8.4484 -5.6336 -5.6336 -5.3699 -5.3699 -4.8710 -4.8710 -4.6986 -4.6986 -4.4985 -4.4985 -4.1928 -4.1928 0.8009 0.8009 2.0569 2.0569 2.3533 2.3533 5.6812 5.6812 5.8359 5.8359 8.9124 8.9124 9.7023 9.7023 9.9059 9.9059 12.3126 12.3126 k = 0.2444 0.2526-0.0000 ( 3259 PWs) bands (ev): -20.8615 -20.8615 -20.6972 -20.6972 -14.3387 -14.3387 -8.4384 -8.4384 -5.6436 -5.6436 -5.3553 -5.3553 -4.8754 -4.8754 -4.7161 -4.7161 -4.4964 -4.4964 -4.1966 -4.1966 0.7952 0.7952 2.0656 2.0656 2.3428 2.3428 5.6706 5.6706 5.8484 5.8484 8.8585 8.8585 9.6697 9.6697 9.9407 9.9407 12.3296 12.3296 k = 0.2333 0.2411-0.0000 ( 3267 PWs) bands (ev): -20.8661 -20.8661 -20.6936 -20.6936 -14.3352 -14.3352 -8.4282 -8.4282 -5.6542 -5.6542 -5.3412 -5.3412 -4.8814 -4.8814 -4.7324 -4.7324 -4.4925 -4.4925 -4.2003 -4.2003 0.7895 0.7895 2.0744 2.0744 2.3321 2.3321 5.6600 5.6600 5.8610 5.8610 8.8003 8.8003 9.6362 9.6362 9.9809 9.9809 12.3463 12.3463 k = 0.2222 0.2296-0.0000 ( 3265 PWs) bands (ev): -20.8707 -20.8707 -20.6899 -20.6899 -14.3319 -14.3319 -8.4181 -8.4181 -5.6651 -5.6651 -5.3277 -5.3277 -4.8892 -4.8892 -4.7466 -4.7466 -4.4872 -4.4872 -4.2038 -4.2038 0.7839 0.7839 2.0831 2.0831 2.3214 2.3214 5.6495 5.6495 5.8738 5.8738 8.7394 8.7394 9.6021 9.6021 10.0248 10.0248 12.3324 12.3325 k = 0.2111 0.2181-0.0000 ( 3273 PWs) bands (ev): -20.8753 -20.8753 -20.6863 -20.6863 -14.3285 -14.3285 -8.4080 -8.4080 -5.6764 -5.6764 -5.3149 -5.3149 -4.8994 -4.8994 -4.7582 -4.7582 -4.4809 -4.4809 -4.2072 -4.2072 0.7783 0.7783 2.0918 2.0918 2.3107 2.3107 5.6392 5.6392 5.8865 5.8865 8.6771 8.6771 9.5675 9.5675 10.0708 10.0708 12.2301 12.2302 k = 0.2000 0.2067-0.0000 ( 3269 PWs) bands (ev): -20.8798 -20.8798 -20.6827 -20.6827 -14.3253 -14.3253 -8.3980 -8.3980 -5.6879 -5.6879 -5.3028 -5.3028 -4.9119 -4.9119 -4.7669 -4.7669 -4.4736 -4.4736 -4.2104 -4.2104 0.7728 0.7728 2.1004 2.1004 2.3001 2.3001 5.6291 5.6291 5.8992 5.8992 8.6142 8.6142 9.5329 9.5329 10.1177 10.1177 12.1314 12.1314 k = 0.1889 0.1952-0.0000 ( 3277 PWs) bands (ev): -20.8841 -20.8841 -20.6792 -20.6792 -14.3221 -14.3221 -8.3881 -8.3881 -5.6996 -5.6996 -5.2915 -5.2915 -4.9263 -4.9263 -4.7728 -4.7728 -4.4657 -4.4657 -4.2134 -4.2134 0.7674 0.7674 2.1089 2.1089 2.2896 2.2896 5.6193 5.6193 5.9117 5.9117 8.5517 8.5517 9.4984 9.4984 10.1642 10.1642 12.0379 12.0379 k = 0.1778 0.1837-0.0000 ( 3273 PWs) bands (ev): -20.8883 -20.8883 -20.6758 -20.6758 -14.3191 -14.3191 -8.3784 -8.3784 -5.7113 -5.7113 -5.2810 -5.2810 -4.9422 -4.9422 -4.7764 -4.7764 -4.4573 -4.4573 -4.2161 -4.2161 0.7621 0.7621 2.1172 2.1172 2.2794 2.2794 5.6098 5.6098 5.9241 5.9241 8.4901 8.4901 9.4642 9.4642 10.2093 10.2093 11.9507 11.9507 k = 0.1667 0.1722-0.0000 ( 3283 PWs) bands (ev): -20.8924 -20.8924 -20.6725 -20.6725 -14.3162 -14.3162 -8.3690 -8.3690 -5.7230 -5.7230 -5.2713 -5.2713 -4.9588 -4.9588 -4.7781 -4.7781 -4.4486 -4.4486 -4.2184 -4.2184 0.7570 0.7570 2.1252 2.1252 2.2694 2.2694 5.6006 5.6006 5.9362 5.9362 8.4300 8.4300 9.4308 9.4308 10.2519 10.2519 11.8708 11.8708 k = 0.1556 0.1607-0.0000 ( 3287 PWs) bands (ev): -20.8963 -20.8963 -20.6694 -20.6694 -14.3134 -14.3134 -8.3599 -8.3599 -5.7346 -5.7346 -5.2625 -5.2625 -4.9758 -4.9758 -4.7785 -4.7785 -4.4397 -4.4397 -4.2204 -4.2204 0.7520 0.7520 2.1330 2.1330 2.2598 2.2598 5.5919 5.5919 5.9480 5.9480 8.3719 8.3719 9.3982 9.3982 10.2911 10.2911 11.7989 11.7989 k = 0.1444 0.1493-0.0000 ( 3291 PWs) bands (ev): -20.9000 -20.9000 -20.6663 -20.6663 -14.3107 -14.3107 -8.3512 -8.3512 -5.7459 -5.7459 -5.2545 -5.2545 -4.9927 -4.9927 -4.7779 -4.7779 -4.4309 -4.4309 -4.2220 -4.2220 0.7473 0.7473 2.1403 2.1403 2.2507 2.2507 5.5836 5.5836 5.9593 5.9593 8.3161 8.3161 9.3668 9.3668 10.3258 10.3258 11.7357 11.7357 k = 0.1333 0.1378-0.0000 ( 3291 PWs) bands (ev): -20.9035 -20.9035 -20.6635 -20.6635 -14.3082 -14.3082 -8.3428 -8.3428 -5.7568 -5.7568 -5.2472 -5.2472 -5.0091 -5.0091 -4.7767 -4.7767 -4.4223 -4.4223 -4.2231 -4.2231 0.7428 0.7428 2.1472 2.1472 2.2421 2.2421 5.5757 5.5757 5.9702 5.9702 8.2631 8.2631 9.3368 9.3368 10.3554 10.3554 11.6818 11.6818 k = 0.1222 0.1263-0.0000 ( 3299 PWs) bands (ev): -20.9068 -20.9068 -20.6608 -20.6608 -14.3059 -14.3059 -8.3349 -8.3349 -5.7673 -5.7673 -5.2408 -5.2408 -5.0247 -5.0247 -4.7750 -4.7750 -4.4141 -4.4141 -4.2239 -4.2239 0.7386 0.7386 2.1535 2.1535 2.2342 2.2342 5.5684 5.5684 5.9805 5.9805 8.2132 8.2132 9.3084 9.3084 10.3793 10.3793 11.6374 11.6374 k = 0.1111 0.1148-0.0000 ( 3303 PWs) bands (ev): -20.9099 -20.9099 -20.6583 -20.6583 -14.3037 -14.3037 -8.3275 -8.3275 -5.7772 -5.7772 -5.2350 -5.2350 -5.0395 -5.0395 -4.7730 -4.7730 -4.4064 -4.4064 -4.2241 -4.2241 0.7346 0.7346 2.1592 2.1592 2.2271 2.2271 5.5616 5.5616 5.9902 5.9902 8.1667 8.1667 9.2817 9.2817 10.3974 10.3974 11.6024 11.6024 k = 0.1000 0.1033-0.0000 ( 3301 PWs) bands (ev): -20.9127 -20.9127 -20.6560 -20.6560 -14.3018 -14.3018 -8.3206 -8.3206 -5.7865 -5.7865 -5.2299 -5.2299 -5.0532 -5.0532 -4.7709 -4.7709 -4.3993 -4.3993 -4.2240 -4.2240 0.7309 0.7309 2.1640 2.1640 2.2210 2.2210 5.5553 5.5553 5.9992 5.9992 8.1237 8.1237 9.2571 9.2571 10.4098 10.4098 11.5762 11.5762 k = 0.0889 0.0918-0.0000 ( 3303 PWs) bands (ev): -20.9153 -20.9153 -20.6539 -20.6539 -14.3000 -14.3000 -8.3144 -8.3144 -5.7951 -5.7951 -5.2255 -5.2255 -5.0658 -5.0658 -4.7687 -4.7687 -4.3929 -4.3929 -4.2235 -4.2235 0.7276 0.7276 2.1677 2.1677 2.2160 2.2160 5.5497 5.5497 6.0074 6.0074 8.0846 8.0846 9.2345 9.2345 10.4170 10.4170 11.5580 11.5580 k = 0.0778 0.0804-0.0000 ( 3295 PWs) bands (ev): -20.9175 -20.9175 -20.6520 -20.6520 -14.2984 -14.2984 -8.3088 -8.3088 -5.8028 -5.8028 -5.2216 -5.2216 -5.0770 -5.0770 -4.7667 -4.7667 -4.3874 -4.3874 -4.2226 -4.2226 0.7246 0.7246 2.1703 2.1703 2.2124 2.2124 5.5446 5.5446 6.0149 6.0149 8.0496 8.0496 9.2143 9.2143 10.4198 10.4198 11.5465 11.5465 k = 0.0667 0.0689-0.0000 ( 3283 PWs) bands (ev): -20.9195 -20.9195 -20.6503 -20.6503 -14.2970 -14.2970 -8.3038 -8.3038 -5.8097 -5.8097 -5.2183 -5.2183 -5.0870 -5.0870 -4.7647 -4.7647 -4.3826 -4.3826 -4.2216 -4.2216 0.7220 0.7220 2.1715 2.1715 2.2102 2.2102 5.5402 5.5402 6.0215 6.0215 8.0188 8.0188 9.1964 9.1964 10.4194 10.4194 11.5405 11.5405 k = 0.0556 0.0574-0.0000 ( 3275 PWs) bands (ev): -20.9212 -20.9212 -20.6489 -20.6489 -14.2958 -14.2958 -8.2996 -8.2996 -5.8156 -5.8156 -5.2156 -5.2156 -5.0955 -5.0955 -4.7630 -4.7630 -4.3787 -4.3787 -4.2204 -4.2204 0.7197 0.7197 2.1716 2.1716 2.2094 2.2094 5.5365 5.5365 6.0271 6.0271 7.9925 7.9925 9.1811 9.1811 10.4167 10.4167 11.5383 11.5383 k = 0.0444 0.0459-0.0000 ( 3267 PWs) bands (ev): -20.9226 -20.9226 -20.6478 -20.6478 -14.2948 -14.2948 -8.2960 -8.2960 -5.8206 -5.8206 -5.2133 -5.2133 -5.1026 -5.1026 -4.7615 -4.7615 -4.3755 -4.3755 -4.2193 -4.2193 0.7179 0.7179 2.1710 2.1710 2.2094 2.2094 5.5334 5.5334 6.0319 6.0319 7.9708 7.9708 9.1685 9.1685 10.4129 10.4129 11.5387 11.5387 k = 0.0333 0.0344-0.0000 ( 3263 PWs) bands (ev): -20.9237 -20.9237 -20.6468 -20.6468 -14.2940 -14.2940 -8.2933 -8.2933 -5.8245 -5.8245 -5.2116 -5.2116 -5.1081 -5.1081 -4.7603 -4.7603 -4.3732 -4.3732 -4.2182 -4.2182 0.7164 0.7164 2.1701 2.1701 2.2098 2.2098 5.5309 5.5309 6.0355 6.0355 7.9538 7.9538 9.1586 9.1586 10.4090 10.4090 11.5403 11.5403 k = 0.0222 0.0230-0.0000 ( 3263 PWs) bands (ev): -20.9245 -20.9245 -20.6462 -20.6462 -14.2935 -14.2935 -8.2913 -8.2913 -5.8273 -5.8273 -5.2104 -5.2104 -5.1121 -5.1121 -4.7595 -4.7595 -4.3715 -4.3715 -4.2174 -4.2174 0.7153 0.7153 2.1692 2.1692 2.2104 2.2104 5.5292 5.5292 6.0382 6.0382 7.9415 7.9415 9.1515 9.1515 10.4056 10.4056 11.5421 11.5421 k = 0.0111 0.0115-0.0000 ( 3263 PWs) bands (ev): -20.9250 -20.9250 -20.6458 -20.6458 -14.2932 -14.2932 -8.2901 -8.2901 -5.8290 -5.8290 -5.2096 -5.2096 -5.1145 -5.1145 -4.7589 -4.7589 -4.3705 -4.3705 -4.2169 -4.2169 0.7147 0.7147 2.1685 2.1685 2.2108 2.2108 5.5282 5.5282 6.0398 6.0398 7.9342 7.9342 9.1472 9.1472 10.4034 10.4034 11.5436 11.5436 k = 0.0000 0.0000 0.0000 ( 3259 PWs) bands (ev): -20.9252 -20.9252 -20.6457 -20.6457 -14.2931 -14.2931 -8.2897 -8.2897 -5.8295 -5.8295 -5.2094 -5.2094 -5.1153 -5.1153 -4.7588 -4.7588 -4.3702 -4.3702 -4.2167 -4.2167 0.7145 0.7145 2.1683 2.1683 2.2109 2.2109 5.5278 5.5278 6.0404 6.0404 7.9317 7.9317 9.1457 9.1457 10.4026 10.4026 11.5441 11.5441 k = 0.0000 0.0000 0.0000 ( 3259 PWs) bands (ev): -20.9252 -20.9252 -20.6457 -20.6457 -14.2931 -14.2931 -8.2897 -8.2897 -5.8295 -5.8295 -5.2094 -5.2094 -5.1153 -5.1153 -4.7588 -4.7588 -4.3702 -4.3702 -4.2167 -4.2167 0.7145 0.7145 2.1683 2.1683 2.2109 2.2109 5.5278 5.5278 6.0404 6.0404 7.9317 7.9317 9.1457 9.1457 10.4026 10.4026 11.5441 11.5441 k = 0.0093-0.0090 0.0091 ( 3261 PWs) bands (ev): -20.9250 -20.9250 -20.6458 -20.6458 -14.2932 -14.2932 -8.2898 -8.2898 -5.8290 -5.8290 -5.2098 -5.2098 -5.1147 -5.1147 -4.7584 -4.7584 -4.3704 -4.3704 -4.2176 -4.2176 0.7149 0.7149 2.1685 2.1685 2.2111 2.2111 5.5282 5.5282 6.0396 6.0396 7.9298 7.9298 9.1514 9.1514 10.4042 10.4042 11.5450 11.5450 k = 0.0186-0.0180 0.0182 ( 3269 PWs) bands (ev): -20.9246 -20.9246 -20.6462 -20.6462 -14.2935 -14.2935 -8.2902 -8.2902 -5.8274 -5.8274 -5.2112 -5.2112 -5.1128 -5.1128 -4.7573 -4.7573 -4.3710 -4.3710 -4.2203 -4.2203 0.7159 0.7159 2.1692 2.1692 2.2118 2.2118 5.5293 5.5293 6.0372 6.0372 7.9242 7.9242 9.1681 9.1681 10.4092 10.4092 11.5477 11.5477 k = 0.0280-0.0271 0.0273 ( 3269 PWs) bands (ev): -20.9238 -20.9238 -20.6468 -20.6468 -14.2941 -14.2941 -8.2908 -8.2908 -5.8247 -5.8247 -5.2134 -5.2134 -5.1096 -5.1096 -4.7555 -4.7555 -4.3721 -4.3721 -4.2248 -4.2248 0.7177 0.7177 2.1704 2.1704 2.2128 2.2128 5.5312 5.5312 6.0334 6.0334 7.9154 7.9154 9.1954 9.1954 10.4173 10.4173 11.5523 11.5523 k = 0.0373-0.0361 0.0364 ( 3261 PWs) bands (ev): -20.9228 -20.9228 -20.6477 -20.6477 -14.2949 -14.2949 -8.2917 -8.2917 -5.8210 -5.8210 -5.2165 -5.2165 -5.1053 -5.1053 -4.7529 -4.7529 -4.3737 -4.3737 -4.2308 -4.2308 0.7202 0.7202 2.1720 2.1720 2.2143 2.2143 5.5339 5.5339 6.0280 6.0280 7.9042 7.9042 9.2325 9.2325 10.4287 10.4287 11.5586 11.5586 k = 0.0466-0.0451 0.0455 ( 3269 PWs) bands (ev): -20.9215 -20.9215 -20.6488 -20.6488 -14.2959 -14.2959 -8.2928 -8.2928 -5.8162 -5.8162 -5.2204 -5.2204 -5.0998 -5.0998 -4.7497 -4.7497 -4.3759 -4.3759 -4.2383 -4.2383 0.7233 0.7233 2.1740 2.1740 2.2162 2.2162 5.5372 5.5372 6.0212 6.0212 7.8913 7.8913 9.2784 9.2784 10.4432 10.4432 11.5667 11.5667 k = 0.0559-0.0541 0.0546 ( 3269 PWs) bands (ev): -20.9199 -20.9199 -20.6502 -20.6502 -14.2971 -14.2971 -8.2942 -8.2942 -5.8105 -5.8105 -5.2251 -5.2251 -5.0933 -5.0933 -4.7458 -4.7458 -4.3788 -4.3788 -4.2471 -4.2471 0.7269 0.7269 2.1765 2.1765 2.2184 2.2184 5.5412 5.5412 6.0130 6.0130 7.8776 7.8776 9.3321 9.3321 10.4607 10.4607 11.5764 11.5764 k = 0.0652-0.0631 0.0638 ( 3273 PWs) bands (ev): -20.9181 -20.9181 -20.6518 -20.6518 -14.2985 -14.2985 -8.2958 -8.2958 -5.8038 -5.8038 -5.2304 -5.2304 -5.0857 -5.0857 -4.7411 -4.7411 -4.3825 -4.3825 -4.2567 -4.2567 0.7311 0.7311 2.1793 2.1793 2.2209 2.2209 5.5459 5.5459 6.0034 6.0034 7.8640 7.8640 9.3925 9.3925 10.4810 10.4810 11.5877 11.5877 k = 0.0746-0.0722 0.0729 ( 3291 PWs) bands (ev): -20.9159 -20.9159 -20.6537 -20.6537 -14.3001 -14.3001 -8.2977 -8.2977 -5.7961 -5.7961 -5.2365 -5.2365 -5.0771 -5.0771 -4.7358 -4.7358 -4.3874 -4.3874 -4.2668 -4.2668 0.7357 0.7357 2.1826 2.1826 2.2238 2.2238 5.5513 5.5513 5.9925 5.9925 7.8511 7.8511 9.4587 9.4587 10.5040 10.5040 11.6006 11.6006 k = 0.0839-0.0812 0.0820 ( 3279 PWs) bands (ev): -20.9135 -20.9135 -20.6557 -20.6557 -14.3019 -14.3019 -8.2999 -8.2999 -5.7876 -5.7876 -5.2433 -5.2433 -5.0677 -5.0677 -4.7299 -4.7299 -4.3938 -4.3938 -4.2770 -4.2770 0.7407 0.7407 2.1862 2.1862 2.2269 2.2269 5.5572 5.5572 5.9805 5.9805 7.8398 7.8398 9.5296 9.5296 10.5295 10.5295 11.6148 11.6148 k = 0.0932-0.0902 0.0911 ( 3285 PWs) bands (ev): -20.9109 -20.9109 -20.6580 -20.6580 -14.3038 -14.3038 -8.3024 -8.3024 -5.7783 -5.7783 -5.2508 -5.2508 -5.0573 -5.0573 -4.7233 -4.7233 -4.4018 -4.4018 -4.2867 -4.2867 0.7460 0.7460 2.1901 2.1901 2.2303 2.2303 5.5636 5.5636 5.9673 5.9673 7.8304 7.8304 9.6042 9.6042 10.5574 10.5574 11.6303 11.6303 k = 0.1025-0.0992 0.1002 ( 3277 PWs) bands (ev): -20.9080 -20.9080 -20.6605 -20.6605 -14.3060 -14.3060 -8.3051 -8.3051 -5.7683 -5.7683 -5.2589 -5.2589 -5.0461 -5.0461 -4.7160 -4.7160 -4.4119 -4.4119 -4.2956 -4.2956 0.7515 0.7515 2.1943 2.1943 2.2340 2.2340 5.5706 5.5706 5.9531 5.9531 7.8235 7.8235 9.6816 9.6816 10.5873 10.5873 11.6469 11.6469 k = 0.1119-0.1083 0.1093 ( 3275 PWs) bands (ev): -20.9048 -20.9048 -20.6632 -20.6632 -14.3083 -14.3083 -8.3081 -8.3081 -5.7575 -5.7575 -5.2677 -5.2677 -5.0342 -5.0342 -4.7082 -4.7082 -4.4241 -4.4241 -4.3032 -4.3032 0.7572 0.7572 2.1988 2.1988 2.2378 2.2378 5.5780 5.5780 5.9380 5.9380 7.8194 7.8194 9.7606 9.7606 10.6191 10.6191 11.6646 11.6646 k = 0.1212-0.1173 0.1184 ( 3263 PWs) bands (ev): -20.9015 -20.9015 -20.6661 -20.6661 -14.3107 -14.3107 -8.3115 -8.3115 -5.7462 -5.7462 -5.2771 -5.2771 -5.0215 -5.0215 -4.6998 -4.6998 -4.4384 -4.4384 -4.3094 -4.3094 0.7629 0.7629 2.2034 2.2034 2.2418 2.2418 5.5858 5.5858 5.9221 5.9221 7.8183 7.8183 9.8400 9.8400 10.6528 10.6528 11.6830 11.6830 k = 0.1305-0.1263 0.1275 ( 3267 PWs) bands (ev): -20.8979 -20.8979 -20.6692 -20.6692 -14.3132 -14.3132 -8.3151 -8.3151 -5.7344 -5.7344 -5.2871 -5.2871 -5.0081 -5.0081 -4.6908 -4.6908 -4.4545 -4.4545 -4.3142 -4.3142 0.7686 0.7686 2.2080 2.2080 2.2459 2.2459 5.5940 5.5940 5.9055 5.9055 7.8206 7.8206 9.9182 9.9182 10.6884 10.6884 11.7020 11.7020 k = 0.1398-0.1353 0.1366 ( 3265 PWs) bands (ev): -20.8941 -20.8941 -20.6724 -20.6724 -14.3159 -14.3159 -8.3191 -8.3191 -5.7221 -5.7221 -5.2976 -5.2976 -4.9941 -4.9941 -4.6812 -4.6812 -4.4722 -4.4722 -4.3178 -4.3178 0.7743 0.7743 2.2126 2.2126 2.2503 2.2503 5.6025 5.6025 5.8884 5.8884 7.8262 7.8262 9.9933 9.9933 10.7262 10.7262 11.7214 11.7214 k = 0.1491-0.1443 0.1457 ( 3265 PWs) bands (ev): -20.8901 -20.8901 -20.6758 -20.6758 -14.3187 -14.3187 -8.3233 -8.3233 -5.7095 -5.7095 -5.3087 -5.3087 -4.9796 -4.9796 -4.6711 -4.6711 -4.4911 -4.4911 -4.3203 -4.3203 0.7799 0.7799 2.2170 2.2170 2.2550 2.2550 5.6112 5.6112 5.8709 5.8709 7.8354 7.8354 10.0630 10.0630 10.7672 10.7672 11.7408 11.7408 k = 0.1585-0.1534 0.1548 ( 3267 PWs) bands (ev): -20.8860 -20.8860 -20.6793 -20.6793 -14.3215 -14.3215 -8.3280 -8.3280 -5.6967 -5.6967 -5.3202 -5.3202 -4.9646 -4.9646 -4.6605 -4.6605 -4.5108 -4.5108 -4.3218 -4.3218 0.7854 0.7854 2.2210 2.2210 2.2599 2.2599 5.6201 5.6201 5.8531 5.8531 7.8482 7.8482 10.1244 10.1244 10.8127 10.8127 11.7597 11.7597 k = 0.1678-0.1624 0.1639 ( 3267 PWs) bands (ev): -20.8816 -20.8816 -20.6830 -20.6830 -14.3244 -14.3244 -8.3329 -8.3329 -5.6839 -5.6839 -5.3320 -5.3320 -4.9492 -4.9492 -4.6493 -4.6493 -4.5309 -4.5309 -4.3226 -4.3226 0.7907 0.7907 2.2246 2.2246 2.2652 2.2652 5.6292 5.6292 5.8352 5.8352 7.8645 7.8645 10.1747 10.1747 10.8644 10.8644 11.7464 11.7464 k = 0.1771-0.1714 0.1731 ( 3274 PWs) bands (ev): -20.8772 -20.8772 -20.6868 -20.6868 -14.3274 -14.3274 -8.3382 -8.3382 -5.6711 -5.6711 -5.3441 -5.3441 -4.9335 -4.9335 -4.6376 -4.6376 -4.5513 -4.5513 -4.3228 -4.3228 0.7958 0.7958 2.2274 2.2274 2.2710 2.2710 5.6384 5.6384 5.8173 5.8173 7.8843 7.8843 10.2110 10.2110 10.9242 10.9242 11.7307 11.7307 k = 0.1864-0.1804 0.1822 ( 3282 PWs) bands (ev): -20.8726 -20.8726 -20.6907 -20.6907 -14.3304 -14.3304 -8.3439 -8.3439 -5.6585 -5.6585 -5.3563 -5.3563 -4.9176 -4.9176 -4.6255 -4.6255 -4.5715 -4.5715 -4.3224 -4.3224 0.8006 0.8006 2.2293 2.2293 2.2772 2.2772 5.6476 5.6476 5.7996 5.7996 7.9076 7.9076 10.2320 10.2320 10.9931 10.9931 11.7238 11.7238 k = 0.1957-0.1894 0.1913 ( 3286 PWs) bands (ev): -20.8679 -20.8679 -20.6947 -20.6947 -14.3335 -14.3335 -8.3499 -8.3499 -5.6462 -5.6462 -5.3686 -5.3686 -4.9016 -4.9016 -4.6130 -4.6130 -4.5912 -4.5912 -4.3214 -4.3214 0.8053 0.8053 2.2304 2.2304 2.2839 2.2839 5.6568 5.6568 5.7822 5.7822 7.9342 7.9342 10.2376 10.2376 11.0714 11.0714 11.7253 11.7253 k = 0.2051-0.1985 0.2004 ( 3286 PWs) bands (ev): -20.8630 -20.8630 -20.6988 -20.6988 -14.3365 -14.3365 -8.3563 -8.3563 -5.6345 -5.6345 -5.3808 -5.3808 -4.8856 -4.8856 -4.6120 -4.6120 -4.5984 -4.5984 -4.3200 -4.3200 0.8097 0.8097 2.2304 2.2304 2.2910 2.2910 5.6659 5.6659 5.7652 5.7652 7.9641 7.9641 10.2293 10.2293 11.1582 11.1582 11.7343 11.7343 k = 0.2144-0.2075 0.2095 ( 3278 PWs) bands (ev): -20.8581 -20.8581 -20.7029 -20.7029 -14.3396 -14.3396 -8.3630 -8.3630 -5.6235 -5.6235 -5.3927 -5.3927 -4.8697 -4.8697 -4.6303 -4.6303 -4.5851 -4.5851 -4.3182 -4.3182 0.8139 0.8139 2.2294 2.2294 2.2985 2.2985 5.6749 5.6749 5.7490 5.7490 7.9970 7.9970 10.2093 10.2093 11.2521 11.2521 11.7492 11.7492 k = 0.2237-0.2165 0.2186 ( 3278 PWs) bands (ev): -20.8532 -20.8532 -20.7071 -20.7071 -14.3427 -14.3427 -8.3701 -8.3701 -5.6135 -5.6135 -5.4041 -5.4041 -4.8541 -4.8541 -4.6481 -4.6481 -4.5707 -4.5707 -4.3160 -4.3160 0.8178 0.8178 2.2273 2.2273 2.3064 2.3064 5.6835 5.6835 5.7338 5.7338 8.0327 8.0327 10.1801 10.1801 11.3516 11.3516 11.7686 11.7686 k = 0.2330-0.2255 0.2277 ( 3274 PWs) bands (ev): -20.8481 -20.8481 -20.7114 -20.7114 -14.3457 -14.3457 -8.3775 -8.3775 -5.6047 -5.6047 -5.4149 -5.4149 -4.8391 -4.8391 -4.6650 -4.6650 -4.5557 -4.5557 -4.3135 -4.3135 0.8215 0.8215 2.2241 2.2241 2.3145 2.3145 5.6910 5.6910 5.7203 5.7203 8.0711 8.0711 10.1439 10.1439 11.4549 11.4549 11.7911 11.7911 k = 0.2424-0.2345 0.2368 ( 3278 PWs) bands (ev): -20.8431 -20.8431 -20.7156 -20.7156 -14.3487 -14.3487 -8.3852 -8.3852 -5.5973 -5.5973 -5.4247 -5.4247 -4.8247 -4.8247 -4.6805 -4.6805 -4.5401 -4.5401 -4.3106 -4.3106 0.8251 0.8251 2.2197 2.2197 2.3228 2.3228 5.6937 5.6937 5.7124 5.7124 8.1120 8.1120 10.1029 10.1029 11.5599 11.5599 11.8159 11.8159 k = 0.2517-0.2436 0.2459 ( 3278 PWs) bands (ev): -20.8380 -20.8380 -20.7199 -20.7199 -14.3516 -14.3516 -8.3933 -8.3933 -5.5915 -5.5915 -5.4333 -5.4333 -4.8114 -4.8114 -4.6943 -4.6943 -4.5240 -4.5240 -4.3075 -4.3075 0.8285 0.8285 2.2143 2.2143 2.3313 2.3313 5.6864 5.6864 5.7154 5.7154 8.1549 8.1549 10.0587 10.0587 11.6621 11.6621 11.8076 11.8076 k = 0.2610-0.2526 0.2550 ( 3274 PWs) bands (ev): -20.8329 -20.8329 -20.7241 -20.7241 -14.3545 -14.3545 -8.4017 -8.4017 -5.5877 -5.5877 -5.4406 -5.4406 -4.7998 -4.7998 -4.7059 -4.7059 -4.5072 -4.5072 -4.3041 -4.3041 0.8317 0.8317 2.2078 2.2078 2.3399 2.3399 5.6759 5.6759 5.7225 5.7225 8.1998 8.1998 10.0128 10.0128 11.7432 11.7432 11.7891 11.7891 k = 0.2703-0.2616 0.2641 ( 3276 PWs) bands (ev): -20.8278 -20.8278 -20.7284 -20.7284 -14.3573 -14.3573 -8.4103 -8.4103 -5.5858 -5.5858 -5.4464 -5.4464 -4.7907 -4.7907 -4.7143 -4.7143 -4.4899 -4.4899 -4.3005 -4.3005 0.8347 0.8347 2.2001 2.2001 2.3485 2.3485 5.6657 5.6657 5.7303 5.7303 8.2461 8.2461 9.9665 9.9665 11.7345 11.7345 11.8177 11.8177 k = 0.2796-0.2706 0.2732 ( 3280 PWs) bands (ev): -20.8228 -20.8228 -20.7325 -20.7325 -14.3600 -14.3600 -8.4192 -8.4192 -5.5859 -5.5859 -5.4507 -5.4507 -4.7854 -4.7854 -4.7184 -4.7184 -4.4721 -4.4721 -4.2967 -4.2967 0.8377 0.8377 2.1914 2.1914 2.3572 2.3572 5.6564 5.6564 5.7381 5.7381 8.2935 8.2935 9.9209 9.9209 11.6920 11.6920 11.8401 11.8401 k = 0.2890-0.2797 0.2824 ( 3278 PWs) bands (ev): -20.8178 -20.8178 -20.7367 -20.7367 -14.3627 -14.3627 -8.4283 -8.4283 -5.5877 -5.5877 -5.4538 -5.4538 -4.7847 -4.7847 -4.7174 -4.7174 -4.4538 -4.4538 -4.2927 -4.2927 0.8405 0.8405 2.1817 2.1817 2.3658 2.3658 5.6484 5.6484 5.7458 5.7458 8.3417 8.3417 9.8768 9.8768 11.6406 11.6406 11.8487 11.8487 k = 0.2983-0.2887 0.2915 ( 3276 PWs) bands (ev): -20.8129 -20.8129 -20.7408 -20.7408 -14.3652 -14.3652 -8.4376 -8.4376 -5.5909 -5.5909 -5.4560 -5.4560 -4.7875 -4.7875 -4.7124 -4.7124 -4.4351 -4.4351 -4.2886 -4.2886 0.8432 0.8432 2.1710 2.1710 2.3744 2.3744 5.6416 5.6416 5.7532 5.7532 8.3901 8.3901 9.8351 9.8351 11.5824 11.5824 11.8480 11.8480 k = 0.3076-0.2977 0.3006 ( 3270 PWs) bands (ev): -20.8081 -20.8081 -20.7447 -20.7447 -14.3677 -14.3677 -8.4470 -8.4470 -5.5951 -5.5951 -5.4575 -5.4575 -4.7923 -4.7923 -4.7049 -4.7049 -4.4161 -4.4161 -4.2844 -4.2844 0.8459 0.8459 2.1594 2.1594 2.3828 2.3828 5.6361 5.6361 5.7605 5.7605 8.4382 8.4382 9.7965 9.7965 11.5192 11.5192 11.8394 11.8394 k = 0.3169-0.3067 0.3097 ( 3270 PWs) bands (ev): -20.8033 -20.8033 -20.7487 -20.7487 -14.3700 -14.3700 -8.4565 -8.4565 -5.5999 -5.5999 -5.4589 -5.4589 -4.7977 -4.7977 -4.6964 -4.6964 -4.3969 -4.3969 -4.2802 -4.2802 0.8485 0.8485 2.1470 2.1470 2.3911 2.3911 5.6319 5.6319 5.7675 5.7675 8.4854 8.4854 9.7619 9.7619 11.4523 11.4523 11.8237 11.8237 k = 0.3262-0.3157 0.3188 ( 3270 PWs) bands (ev): -20.7987 -20.7987 -20.7524 -20.7524 -14.3723 -14.3723 -8.4660 -8.4660 -5.6050 -5.6050 -5.4602 -5.4602 -4.8030 -4.8030 -4.6877 -4.6877 -4.3776 -4.3776 -4.2758 -4.2758 0.8510 0.8510 2.1339 2.1339 2.3993 2.3993 5.6289 5.6289 5.7742 5.7742 8.5310 8.5310 9.7320 9.7320 11.3829 11.3829 11.8015 11.8015 k = 0.3356-0.3248 0.3279 ( 3270 PWs) bands (ev): -20.7943 -20.7943 -20.7561 -20.7561 -14.3744 -14.3744 -8.4755 -8.4755 -5.6101 -5.6101 -5.4617 -5.4617 -4.8079 -4.8079 -4.6790 -4.6790 -4.3584 -4.3584 -4.2714 -4.2714 0.8535 0.8535 2.1202 2.1202 2.4072 2.4072 5.6271 5.6271 5.7806 5.7806 8.5744 8.5744 9.7075 9.7075 11.3122 11.3122 11.7734 11.7734 k = 0.3449-0.3338 0.3370 ( 3270 PWs) bands (ev): -20.7900 -20.7900 -20.7597 -20.7597 -14.3764 -14.3764 -8.4850 -8.4850 -5.6150 -5.6150 -5.4636 -5.4636 -4.8122 -4.8122 -4.6706 -4.6706 -4.3394 -4.3394 -4.2669 -4.2669 0.8559 0.8559 2.1060 2.1060 2.4149 2.4149 5.6265 5.6265 5.7867 5.7867 8.6147 8.6147 9.6890 9.6890 11.2413 11.2413 11.7403 11.7403 k = 0.3542-0.3428 0.3461 ( 3280 PWs) bands (ev): -20.7858 -20.7858 -20.7631 -20.7631 -14.3783 -14.3783 -8.4943 -8.4943 -5.6196 -5.6196 -5.4660 -5.4660 -4.8160 -4.8160 -4.6625 -4.6625 -4.3208 -4.3208 -4.2622 -4.2622 0.8583 0.8583 2.0915 2.0915 2.4223 2.4223 5.6269 5.6269 5.7924 5.7924 8.6512 8.6512 9.6773 9.6773 11.1710 11.1710 11.7027 11.7027 k = 0.3635-0.3518 0.3552 ( 3278 PWs) bands (ev): -20.7818 -20.7818 -20.7663 -20.7663 -14.3801 -14.3801 -8.5034 -8.5034 -5.6237 -5.6237 -5.4687 -5.4687 -4.8192 -4.8192 -4.6550 -4.6550 -4.3030 -4.3030 -4.2572 -4.2572 0.8606 0.8606 2.0768 2.0768 2.4294 2.4294 5.6283 5.6283 5.7979 5.7979 8.6834 8.6834 9.6727 9.6727 11.1021 11.1021 11.6615 11.6615 k = 0.3729-0.3608 0.3643 ( 3264 PWs) bands (ev): -20.7781 -20.7781 -20.7694 -20.7694 -14.3817 -14.3817 -8.5123 -8.5123 -5.6273 -5.6273 -5.4719 -5.4719 -4.8219 -4.8219 -4.6478 -4.6478 -4.2865 -4.2865 -4.2516 -4.2516 0.8628 0.8628 2.0621 2.0621 2.4362 2.4362 5.6304 5.6304 5.8030 5.8030 8.7107 8.7107 9.6756 9.6756 11.0353 11.0353 11.6174 11.6174 k = 0.3822-0.3699 0.3734 ( 3264 PWs) bands (ev): -20.7745 -20.7745 -20.7723 -20.7723 -14.3832 -14.3832 -8.5209 -8.5209 -5.6303 -5.6303 -5.4755 -5.4755 -4.8241 -4.8241 -4.6412 -4.6412 -4.2724 -4.2724 -4.2443 -4.2443 0.8650 0.8650 2.0475 2.0475 2.4426 2.4426 5.6333 5.6333 5.8078 5.8078 8.7330 8.7330 9.6859 9.6859 10.9711 10.9711 11.5710 11.5710 k = 0.3915-0.3789 0.3825 ( 3256 PWs) bands (ev): -20.7751 -20.7751 -20.7711 -20.7711 -14.3846 -14.3846 -8.5291 -8.5291 -5.6328 -5.6328 -5.4795 -5.4795 -4.8259 -4.8259 -4.6350 -4.6350 -4.2619 -4.2619 -4.2344 -4.2344 0.8670 0.8670 2.0333 2.0333 2.4487 2.4487 5.6368 5.6368 5.8123 5.8123 8.7503 8.7503 9.7032 9.7032 10.9100 10.9100 11.5231 11.5231 k = 0.4008-0.3879 0.3917 ( 3260 PWs) bands (ev): -20.7776 -20.7776 -20.7680 -20.7680 -14.3859 -14.3859 -8.5368 -8.5368 -5.6347 -5.6347 -5.4837 -5.4837 -4.8273 -4.8273 -4.6293 -4.6293 -4.2548 -4.2548 -4.2222 -4.2222 0.8690 0.8690 2.0195 2.0195 2.4543 2.4543 5.6406 5.6406 5.8164 5.8164 8.7630 8.7630 9.7267 9.7267 10.8526 10.8526 11.4741 11.4741 k = 0.4101-0.3969 0.4008 ( 3252 PWs) bands (ev): -20.7800 -20.7800 -20.7651 -20.7651 -14.3870 -14.3870 -8.5441 -8.5441 -5.6361 -5.6361 -5.4880 -5.4880 -4.8284 -4.8284 -4.6242 -4.6242 -4.2498 -4.2498 -4.2091 -4.2091 0.8708 0.8708 2.0063 2.0063 2.4595 2.4595 5.6448 5.6448 5.8202 5.8202 8.7717 8.7717 9.7554 9.7554 10.7991 10.7991 11.4249 11.4249 k = 0.4195-0.4059 0.4099 ( 3248 PWs) bands (ev): -20.7821 -20.7821 -20.7625 -20.7625 -14.3881 -14.3881 -8.5509 -8.5509 -5.6370 -5.6370 -5.4924 -5.4924 -4.8293 -4.8293 -4.6195 -4.6195 -4.2460 -4.2460 -4.1962 -4.1962 0.8725 0.8725 1.9939 1.9939 2.4642 2.4642 5.6490 5.6490 5.8236 5.8236 8.7771 8.7771 9.7880 9.7880 10.7499 10.7499 11.3761 11.3761 k = 0.4288-0.4150 0.4190 ( 3252 PWs) bands (ev): -20.7840 -20.7840 -20.7602 -20.7602 -14.3890 -14.3890 -8.5570 -8.5570 -5.6374 -5.6374 -5.4968 -5.4968 -4.8300 -4.8300 -4.6153 -4.6153 -4.2428 -4.2428 -4.1840 -4.1840 0.8741 0.8741 1.9824 1.9824 2.4685 2.4685 5.6533 5.6533 5.8267 5.8267 8.7800 8.7800 9.8231 9.8231 10.7053 10.7053 11.3284 11.3284 k = 0.4288-0.4150 0.4190 ( 3252 PWs) bands (ev): -20.7840 -20.7840 -20.7602 -20.7602 -14.3890 -14.3890 -8.5570 -8.5570 -5.6374 -5.6374 -5.4968 -5.4968 -4.8300 -4.8300 -4.6153 -4.6153 -4.2428 -4.2428 -4.1840 -4.1840 0.8741 0.8741 1.9824 1.9824 2.4685 2.4685 5.6533 5.6533 5.8267 5.8267 8.7800 8.7800 9.8231 9.8231 10.7053 10.7053 11.3284 11.3284 k = 0.4312-0.4006 0.4132 ( 3248 PWs) bands (ev): -20.7829 -20.7829 -20.7616 -20.7616 -14.3884 -14.3884 -8.5530 -8.5530 -5.6369 -5.6369 -5.4940 -5.4940 -4.8296 -4.8296 -4.6179 -4.6179 -4.2453 -4.2453 -4.1918 -4.1918 0.8730 0.8730 1.9898 1.9898 2.4657 2.4657 5.6508 5.6508 5.8246 5.8246 8.7792 8.7792 9.8008 9.8008 10.7311 10.7311 11.3605 11.3605 k = 0.4335-0.3862 0.4073 ( 3254 PWs) bands (ev): -20.7819 -20.7819 -20.7629 -20.7629 -14.3875 -14.3875 -8.5484 -8.5484 -5.6357 -5.6357 -5.4912 -5.4912 -4.8293 -4.8293 -4.6207 -4.6207 -4.2492 -4.2492 -4.2003 -4.2003 0.8718 0.8718 1.9977 1.9977 2.4624 2.4624 5.6486 5.6486 5.8219 5.8219 8.7792 8.7792 9.7802 9.7802 10.7545 10.7545 11.3965 11.3965 k = 0.4359-0.3718 0.4015 ( 3256 PWs) bands (ev): -20.7810 -20.7810 -20.7643 -20.7643 -14.3866 -14.3866 -8.5433 -8.5433 -5.6338 -5.6338 -5.4882 -5.4882 -4.8290 -4.8290 -4.6236 -4.6236 -4.2543 -4.2543 -4.2094 -4.2094 0.8703 0.8703 2.0062 2.0062 2.4587 2.4587 5.6467 5.6467 5.8188 5.8188 8.7796 8.7796 9.7620 9.7620 10.7755 10.7755 11.4359 11.4359 k = 0.4383-0.3575 0.3957 ( 3256 PWs) bands (ev): -20.7802 -20.7802 -20.7655 -20.7655 -14.3854 -14.3854 -8.5377 -8.5377 -5.6313 -5.6313 -5.4853 -5.4853 -4.8286 -4.8286 -4.6267 -4.6267 -4.2605 -4.2605 -4.2193 -4.2193 0.8687 0.8687 2.0152 2.0152 2.4546 2.4546 5.6453 5.6453 5.8152 5.8152 8.7800 8.7800 9.7469 9.7469 10.7940 10.7940 11.4781 11.4781 k = 0.4407-0.3431 0.3899 ( 3260 PWs) bands (ev): -20.7795 -20.7795 -20.7668 -20.7668 -14.3841 -14.3841 -8.5316 -8.5316 -5.6282 -5.6282 -5.4823 -5.4823 -4.8282 -4.8282 -4.6299 -4.6299 -4.2679 -4.2679 -4.2298 -4.2298 0.8669 0.8669 2.0245 2.0245 2.4502 2.4502 5.6442 5.6442 5.8112 5.8112 8.7801 8.7801 9.7355 9.7355 10.8100 10.8100 11.5227 11.5227 k = 0.4430-0.3287 0.3840 ( 3262 PWs) bands (ev): -20.7789 -20.7789 -20.7679 -20.7679 -14.3827 -14.3827 -8.5251 -8.5251 -5.6245 -5.6245 -5.4793 -5.4793 -4.8276 -4.8276 -4.6332 -4.6332 -4.2763 -4.2763 -4.2410 -4.2410 0.8651 0.8651 2.0341 2.0341 2.4454 2.4454 5.6434 5.6434 5.8069 5.8069 8.7795 8.7795 9.7283 9.7283 10.8237 10.8237 11.5691 11.5691 k = 0.4454-0.3143 0.3782 ( 3264 PWs) bands (ev): -20.7784 -20.7784 -20.7690 -20.7690 -14.3812 -14.3812 -8.5182 -8.5182 -5.6203 -5.6203 -5.4763 -5.4763 -4.8269 -4.8269 -4.6364 -4.6364 -4.2857 -4.2857 -4.2529 -4.2529 0.8632 0.8632 2.0440 2.0440 2.4404 2.4404 5.6430 5.6430 5.8022 5.8022 8.7780 8.7780 9.7258 9.7258 10.8350 10.8350 11.6169 11.6169 k = 0.4478-0.2999 0.3724 ( 3262 PWs) bands (ev): -20.7780 -20.7780 -20.7701 -20.7701 -14.3795 -14.3795 -8.5110 -8.5110 -5.6156 -5.6156 -5.4734 -5.4734 -4.8259 -4.8259 -4.6396 -4.6396 -4.2960 -4.2960 -4.2654 -4.2654 0.8612 0.8612 2.0539 2.0539 2.4351 2.4351 5.6429 5.6429 5.7972 5.7972 8.7753 8.7753 9.7283 9.7283 10.8442 10.8442 11.6655 11.6655 k = 0.4501-0.2856 0.3666 ( 3264 PWs) bands (ev): -20.7777 -20.7777 -20.7710 -20.7710 -14.3778 -14.3778 -8.5035 -8.5035 -5.6106 -5.6106 -5.4705 -5.4705 -4.8247 -4.8247 -4.6428 -4.6428 -4.3071 -4.3071 -4.2784 -4.2784 0.8592 0.8592 2.0639 2.0639 2.4296 2.4296 5.6432 5.6432 5.7920 5.7920 8.7711 8.7711 9.7361 9.7361 10.8514 10.8514 11.7143 11.7143 k = 0.4525-0.2712 0.3607 ( 3263 PWs) bands (ev): -20.7776 -20.7776 -20.7718 -20.7718 -14.3760 -14.3760 -8.4957 -8.4957 -5.6052 -5.6052 -5.4677 -5.4677 -4.8231 -4.8231 -4.6458 -4.6458 -4.3191 -4.3191 -4.2919 -4.2919 0.8572 0.8572 2.0738 2.0738 2.4241 2.4241 5.6438 5.6438 5.7867 5.7867 8.7653 8.7653 9.7493 9.7493 10.8568 10.8568 11.7626 11.7626 k = 0.4549-0.2568 0.3549 ( 3267 PWs) bands (ev): -20.7776 -20.7776 -20.7726 -20.7726 -14.3741 -14.3741 -8.4879 -8.4879 -5.5995 -5.5995 -5.4650 -5.4650 -4.8212 -4.8212 -4.6486 -4.6486 -4.3318 -4.3318 -4.3057 -4.3057 0.8553 0.8553 2.0837 2.0837 2.4184 2.4184 5.6448 5.6448 5.7812 5.7812 8.7580 8.7580 9.7679 9.7679 10.8607 10.8607 11.8094 11.8094 k = 0.4573-0.2424 0.3491 ( 3273 PWs) bands (ev): -20.7777 -20.7777 -20.7732 -20.7732 -14.3722 -14.3722 -8.4798 -8.4798 -5.5935 -5.5935 -5.4624 -5.4624 -4.8189 -4.8189 -4.6512 -4.6512 -4.3453 -4.3453 -4.3198 -4.3198 0.8533 0.8533 2.0933 2.0933 2.4126 2.4126 5.6460 5.6460 5.7756 5.7756 8.7490 8.7490 9.7919 9.7919 10.8633 10.8633 11.8536 11.8536 k = 0.4596-0.2280 0.3433 ( 3268 PWs) bands (ev): -20.7780 -20.7780 -20.7737 -20.7737 -14.3702 -14.3702 -8.4718 -8.4718 -5.5874 -5.5874 -5.4601 -5.4601 -4.8161 -4.8161 -4.6534 -4.6534 -4.3595 -4.3595 -4.3341 -4.3341 0.8514 0.8514 2.1027 2.1027 2.4069 2.4069 5.6474 5.6474 5.7700 5.7700 8.7387 8.7387 9.8211 9.8211 10.8647 10.8647 11.8939 11.8939 k = 0.4620-0.2137 0.3375 ( 3274 PWs) bands (ev): -20.7783 -20.7783 -20.7740 -20.7740 -14.3683 -14.3683 -8.4637 -8.4637 -5.5811 -5.5811 -5.4580 -5.4580 -4.8129 -4.8129 -4.6553 -4.6553 -4.3744 -4.3744 -4.3484 -4.3484 0.8496 0.8496 2.1118 2.1118 2.4012 2.4012 5.6491 5.6491 5.7645 5.7645 8.7272 8.7272 9.8552 9.8552 10.8653 10.8653 11.9285 11.9285 k = 0.4644-0.1993 0.3316 ( 3264 PWs) bands (ev): -20.7788 -20.7788 -20.7743 -20.7743 -14.3663 -14.3663 -8.4557 -8.4557 -5.5747 -5.5747 -5.4561 -5.4561 -4.8091 -4.8091 -4.6567 -4.6567 -4.3899 -4.3899 -4.3628 -4.3628 0.8478 0.8478 2.1206 2.1206 2.3956 2.3956 5.6510 5.6510 5.7590 5.7590 8.7146 8.7146 9.8939 9.8939 10.8653 10.8653 11.9552 11.9552 k = 0.4668-0.1849 0.3258 ( 3267 PWs) bands (ev): -20.7792 -20.7792 -20.7745 -20.7745 -14.3644 -14.3644 -8.4478 -8.4478 -5.5682 -5.5682 -5.4546 -5.4546 -4.8047 -4.8047 -4.6576 -4.6576 -4.4059 -4.4059 -4.3771 -4.3771 0.8461 0.8461 2.1289 2.1289 2.3902 2.3902 5.6531 5.6531 5.7537 5.7537 8.7013 8.7013 9.9367 9.9367 10.8647 10.8647 11.9718 11.9718 k = 0.4691-0.1705 0.3200 ( 3267 PWs) bands (ev): -20.7797 -20.7797 -20.7748 -20.7748 -14.3625 -14.3625 -8.4402 -8.4402 -5.5617 -5.5617 -5.4534 -5.4534 -4.7996 -4.7996 -4.6580 -4.6580 -4.4222 -4.4222 -4.3914 -4.3914 0.8445 0.8445 2.1369 2.1369 2.3849 2.3849 5.6553 5.6553 5.7485 5.7485 8.6875 8.6875 9.9834 9.9834 10.8636 10.8636 11.9766 11.9766 k = 0.4715-0.1562 0.3142 ( 3268 PWs) bands (ev): -20.7802 -20.7802 -20.7749 -20.7749 -14.3607 -14.3607 -8.4328 -8.4328 -5.5552 -5.5552 -5.4526 -5.4526 -4.7940 -4.7940 -4.6578 -4.6578 -4.4387 -4.4387 -4.4056 -4.4056 0.8429 0.8429 2.1443 2.1443 2.3798 2.3798 5.6575 5.6575 5.7435 5.7435 8.6735 8.6735 10.0334 10.0334 10.8623 10.8623 11.9688 11.9688 k = 0.4739-0.1418 0.3083 ( 3266 PWs) bands (ev): -20.7806 -20.7806 -20.7751 -20.7751 -14.3590 -14.3590 -8.4257 -8.4257 -5.5487 -5.5487 -5.4523 -5.4523 -4.7876 -4.7876 -4.6570 -4.6570 -4.4554 -4.4554 -4.4197 -4.4197 0.8415 0.8415 2.1512 2.1512 2.3751 2.3751 5.6598 5.6598 5.7388 5.7388 8.6595 8.6595 10.0862 10.0862 10.8605 10.8605 11.9490 11.9490 k = 0.4763-0.1274 0.3025 ( 3262 PWs) bands (ev): -20.7810 -20.7810 -20.7753 -20.7753 -14.3574 -14.3574 -8.4189 -8.4189 -5.5422 -5.5422 -5.4525 -5.4525 -4.7806 -4.7806 -4.6557 -4.6557 -4.4720 -4.4720 -4.4336 -4.4336 0.8402 0.8402 2.1576 2.1576 2.3706 2.3706 5.6621 5.6621 5.7345 5.7345 8.6459 8.6459 10.1415 10.1415 10.8584 10.8584 11.9190 11.9190 k = 0.4786-0.1130 0.2967 ( 3260 PWs) bands (ev): -20.7814 -20.7814 -20.7755 -20.7755 -14.3558 -14.3558 -8.4127 -8.4127 -5.5358 -5.5358 -5.4532 -5.4532 -4.7728 -4.7728 -4.6539 -4.6539 -4.4884 -4.4884 -4.4473 -4.4473 0.8390 0.8390 2.1635 2.1635 2.3664 2.3664 5.6642 5.6642 5.7304 5.7304 8.6327 8.6327 10.1986 10.1986 10.8557 10.8557 11.8813 11.8813 k = 0.4810-0.0986 0.2909 ( 3260 PWs) bands (ev): -20.7818 -20.7818 -20.7757 -20.7757 -14.3544 -14.3544 -8.4069 -8.4069 -5.5294 -5.5294 -5.4544 -5.4544 -4.7643 -4.7643 -4.6518 -4.6518 -4.5043 -4.5043 -4.4607 -4.4607 0.8379 0.8379 2.1687 2.1687 2.3626 2.3626 5.6663 5.6663 5.7267 5.7267 8.6204 8.6204 10.2568 10.2568 10.8522 10.8522 11.8382 11.8382 k = 0.4834-0.0843 0.2850 ( 3260 PWs) bands (ev): -20.7821 -20.7821 -20.7759 -20.7759 -14.3532 -14.3532 -8.4016 -8.4016 -5.5231 -5.5231 -5.4562 -5.4562 -4.7552 -4.7552 -4.6496 -4.6496 -4.5194 -4.5194 -4.4738 -4.4738 0.8369 0.8369 2.1734 2.1734 2.3592 2.3592 5.6682 5.6682 5.7235 5.7235 8.6089 8.6089 10.3156 10.3156 10.8476 10.8476 11.7922 11.7922 k = 0.4858-0.0699 0.2792 ( 3258 PWs) bands (ev): -20.7823 -20.7823 -20.7760 -20.7760 -14.3520 -14.3520 -8.3970 -8.3970 -5.5169 -5.5169 -5.4585 -5.4585 -4.7453 -4.7453 -4.6476 -4.6476 -4.5334 -4.5334 -4.4864 -4.4864 0.8360 0.8360 2.1774 2.1774 2.3562 2.3562 5.6700 5.6700 5.7206 5.7206 8.5986 8.5986 10.3739 10.3739 10.8415 10.8415 11.7457 11.7457 k = 0.4881-0.0555 0.2734 ( 3262 PWs) bands (ev): -20.7825 -20.7825 -20.7762 -20.7762 -14.3511 -14.3511 -8.3930 -8.3930 -5.5108 -5.5108 -5.4612 -5.4612 -4.7349 -4.7349 -4.6465 -4.6465 -4.5456 -4.5456 -4.4983 -4.4983 0.8353 0.8353 2.1809 2.1809 2.3536 2.3536 5.6715 5.6715 5.7182 5.7182 8.5897 8.5897 10.4308 10.4308 10.8336 10.8336 11.7006 11.7006 k = 0.4905-0.0411 0.2676 ( 3267 PWs) bands (ev): -20.7827 -20.7827 -20.7763 -20.7763 -14.3503 -14.3503 -8.3897 -8.3897 -5.5049 -5.5049 -5.4645 -5.4645 -4.7241 -4.7241 -4.6470 -4.6470 -4.5552 -4.5552 -4.5095 -4.5095 0.8347 0.8347 2.1837 2.1837 2.3515 2.3515 5.6727 5.6727 5.7162 5.7162 8.5821 8.5821 10.4850 10.4850 10.8234 10.8234 11.6593 11.6593 k = 0.4929-0.0268 0.2618 ( 3279 PWs) bands (ev): -20.7828 -20.7828 -20.7764 -20.7764 -14.3496 -14.3496 -8.3871 -8.3871 -5.4991 -5.4991 -5.4682 -5.4682 -4.7129 -4.7129 -4.6498 -4.6498 -4.5616 -4.5616 -4.5196 -4.5196 0.8342 0.8342 2.1859 2.1859 2.3498 2.3498 5.6736 5.6736 5.7147 5.7147 8.5761 8.5761 10.5345 10.5345 10.8110 10.8110 11.6241 11.6241 k = 0.4953-0.0124 0.2559 ( 3277 PWs) bands (ev): -20.7829 -20.7829 -20.7765 -20.7765 -14.3492 -14.3492 -8.3852 -8.3852 -5.4936 -5.4936 -5.4722 -5.4722 -4.7019 -4.7019 -4.6552 -4.6552 -4.5646 -4.5646 -4.5282 -4.5282 0.8339 0.8339 2.1874 2.1874 2.3486 2.3486 5.6743 5.6743 5.7136 5.7136 8.5718 8.5718 10.5768 10.5768 10.7971 10.7971 11.5969 11.5969 k = 0.4976 0.0020 0.2501 ( 3270 PWs) bands (ev): -20.7830 -20.7830 -20.7765 -20.7765 -14.3489 -14.3489 -8.3840 -8.3840 -5.4887 -5.4887 -5.4763 -5.4763 -4.6919 -4.6919 -4.6620 -4.6620 -4.5652 -4.5652 -4.5343 -4.5343 0.8337 0.8337 2.1884 2.1884 2.3479 2.3479 5.6747 5.6747 5.7130 5.7130 8.5691 8.5691 10.6072 10.6072 10.7846 10.7846 11.5797 11.5797 k = 0.5000 0.0164 0.2443 ( 3274 PWs) bands (ev): -20.7830 -20.7830 -20.7765 -20.7765 -14.3488 -14.3488 -8.3836 -8.3836 -5.4859 -5.4859 -5.4788 -5.4788 -4.6867 -4.6867 -4.6661 -4.6661 -4.5651 -4.5651 -4.5366 -4.5366 0.8336 0.8336 2.1887 2.1887 2.3477 2.3477 5.6749 5.6749 5.7128 5.7128 8.5682 8.5682 10.6187 10.6187 10.7791 10.7791 11.5738 11.5738 k = 0.5000 0.0164 0.2443 ( 3274 PWs) bands (ev): -20.7830 -20.7830 -20.7765 -20.7765 -14.3488 -14.3488 -8.3836 -8.3836 -5.4859 -5.4859 -5.4788 -5.4788 -4.6867 -4.6867 -4.6661 -4.6661 -4.5651 -4.5651 -4.5366 -4.5366 0.8336 0.8336 2.1887 2.1887 2.3477 2.3477 5.6749 5.6749 5.7128 5.7128 8.5682 8.5682 10.6187 10.6187 10.7791 10.7791 11.5738 11.5738 k = 0.4934 0.0227 0.2573 ( 3268 PWs) bands (ev): -20.7829 -20.7829 -20.7765 -20.7765 -14.3489 -14.3489 -8.3835 -8.3835 -5.4866 -5.4866 -5.4788 -5.4788 -4.6895 -4.6895 -4.6638 -4.6638 -4.5689 -4.5689 -4.5325 -4.5325 0.8337 0.8337 2.1893 2.1893 2.3476 2.3476 5.6745 5.6745 5.7122 5.7122 8.5693 8.5693 10.6182 10.6182 10.7823 10.7823 11.5725 11.5725 k = 0.4868 0.0291 0.2704 ( 3264 PWs) bands (ev): -20.7828 -20.7828 -20.7764 -20.7764 -14.3491 -14.3491 -8.3832 -8.3832 -5.4887 -5.4887 -5.4790 -5.4790 -4.6956 -4.6956 -4.6591 -4.6591 -4.5766 -4.5766 -4.5238 -4.5238 0.8338 0.8338 2.1912 2.1912 2.3475 2.3475 5.6733 5.6733 5.7104 5.7104 8.5723 8.5723 10.6168 10.6168 10.7918 10.7918 11.5683 11.5683 k = 0.4803 0.0355 0.2834 ( 3258 PWs) bands (ev): -20.7825 -20.7825 -20.7762 -20.7762 -14.3495 -14.3495 -8.3827 -8.3827 -5.4918 -5.4918 -5.4794 -5.4794 -4.7029 -4.7029 -4.6549 -4.6549 -4.5843 -4.5843 -4.5137 -4.5137 0.8341 0.8341 2.1943 2.1943 2.3473 2.3473 5.6713 5.6713 5.7076 5.7076 8.5774 8.5774 10.6145 10.6145 10.8075 10.8075 11.5615 11.5615 k = 0.4737 0.0418 0.2964 ( 3258 PWs) bands (ev): -20.7822 -20.7822 -20.7760 -20.7760 -14.3500 -14.3500 -8.3820 -8.3820 -5.4958 -5.4958 -5.4804 -5.4804 -4.7104 -4.7104 -4.6533 -4.6533 -4.5897 -4.5897 -4.5033 -4.5033 0.8344 0.8344 2.1986 2.1986 2.3470 2.3470 5.6685 5.6685 5.7036 5.7036 8.5845 8.5845 10.6112 10.6112 10.8294 10.8294 11.5521 11.5521 k = 0.4671 0.0482 0.3095 ( 3256 PWs) bands (ev): -20.7817 -20.7817 -20.7758 -20.7758 -14.3507 -14.3507 -8.3811 -8.3811 -5.5008 -5.5008 -5.4819 -5.4819 -4.7180 -4.7180 -4.6555 -4.6555 -4.5913 -4.5913 -4.4930 -4.4930 0.8348 0.8348 2.2040 2.2040 2.3466 2.3466 5.6650 5.6650 5.6986 5.6986 8.5936 8.5936 10.6070 10.6070 10.8575 10.8575 11.5401 11.5401 k = 0.4605 0.0546 0.3225 ( 3260 PWs) bands (ev): -20.7812 -20.7812 -20.7754 -20.7754 -14.3516 -14.3516 -8.3800 -8.3800 -5.5065 -5.5065 -5.4839 -5.4839 -4.7255 -4.7255 -4.6618 -4.6618 -4.5889 -4.5889 -4.4830 -4.4830 0.8354 0.8354 2.2105 2.2105 2.3462 2.3462 5.6607 5.6607 5.6926 5.6926 8.6048 8.6048 10.6020 10.6020 10.8914 10.8914 11.5259 11.5259 k = 0.4539 0.0609 0.3356 ( 3264 PWs) bands (ev): -20.7806 -20.7806 -20.7751 -20.7751 -14.3525 -14.3525 -8.3788 -8.3788 -5.5131 -5.5131 -5.4863 -5.4863 -4.7329 -4.7329 -4.6710 -4.6710 -4.5836 -4.5836 -4.4734 -4.4734 0.8360 0.8360 2.2181 2.2181 2.3458 2.3458 5.6557 5.6557 5.6857 5.6857 8.6179 8.6179 10.5960 10.5960 10.9310 10.9310 11.5095 11.5095 k = 0.4474 0.0673 0.3486 ( 3262 PWs) bands (ev): -20.7799 -20.7799 -20.7746 -20.7746 -14.3536 -14.3536 -8.3773 -8.3773 -5.5205 -5.5205 -5.4892 -5.4892 -4.7401 -4.7401 -4.6819 -4.6819 -4.5766 -4.5766 -4.4643 -4.4643 0.8367 0.8367 2.2265 2.2265 2.3453 2.3453 5.6500 5.6500 5.6780 5.6780 8.6330 8.6330 10.5891 10.5891 10.9761 10.9761 11.4915 11.4915 k = 0.4408 0.0737 0.3616 ( 3262 PWs) bands (ev): -20.7791 -20.7791 -20.7741 -20.7741 -14.3549 -14.3549 -8.3757 -8.3757 -5.5285 -5.5285 -5.4924 -5.4924 -4.7471 -4.7471 -4.6937 -4.6937 -4.5686 -4.5686 -4.4555 -4.4555 0.8374 0.8374 2.2358 2.2358 2.3449 2.3449 5.6436 5.6436 5.6696 5.6696 8.6500 8.6500 10.5813 10.5813 11.0261 11.0261 11.4722 11.4722 k = 0.4342 0.0801 0.3747 ( 3260 PWs) bands (ev): -20.7782 -20.7782 -20.7736 -20.7736 -14.3562 -14.3562 -8.3739 -8.3739 -5.5373 -5.5373 -5.4960 -5.4960 -4.7540 -4.7540 -4.7059 -4.7059 -4.5600 -4.5600 -4.4473 -4.4473 0.8383 0.8383 2.2457 2.2457 2.3445 2.3445 5.6365 5.6365 5.6606 5.6606 8.6690 8.6690 10.5727 10.5727 11.0804 11.0804 11.4525 11.4525 k = 0.4276 0.0864 0.3877 ( 3266 PWs) bands (ev): -20.7773 -20.7773 -20.7731 -20.7731 -14.3577 -14.3577 -8.3720 -8.3720 -5.5468 -5.5468 -5.4999 -5.4999 -4.7607 -4.7607 -4.7181 -4.7181 -4.5512 -4.5512 -4.4396 -4.4396 0.8392 0.8392 2.2563 2.2563 2.3441 2.3441 5.6287 5.6287 5.6511 5.6511 8.6900 8.6900 10.5631 10.5631 11.1375 11.1375 11.4338 11.4338 k = 0.4211 0.0928 0.4007 ( 3264 PWs) bands (ev): -20.7763 -20.7763 -20.7725 -20.7725 -14.3592 -14.3592 -8.3700 -8.3700 -5.5569 -5.5569 -5.5040 -5.5040 -4.7674 -4.7674 -4.7302 -4.7302 -4.5423 -4.5423 -4.4325 -4.4325 0.8402 0.8402 2.2674 2.2674 2.3438 2.3438 5.6204 5.6204 5.6413 5.6413 8.7128 8.7128 10.5527 10.5527 11.1942 11.1942 11.4193 11.4193 k = 0.4145 0.0992 0.4138 ( 3264 PWs) bands (ev): -20.7752 -20.7752 -20.7718 -20.7718 -14.3609 -14.3609 -8.3678 -8.3678 -5.5675 -5.5675 -5.5083 -5.5083 -4.7742 -4.7742 -4.7417 -4.7417 -4.5334 -4.5334 -4.4258 -4.4258 0.8412 0.8412 2.2789 2.2789 2.3437 2.3437 5.6115 5.6115 5.6313 5.6313 8.7375 8.7375 10.5413 10.5413 11.2424 11.2424 11.4174 11.4174 k = 0.4079 0.1055 0.4268 ( 3266 PWs) bands (ev): -20.7741 -20.7741 -20.7712 -20.7712 -14.3626 -14.3626 -8.3656 -8.3656 -5.5787 -5.5787 -5.5127 -5.5127 -4.7814 -4.7814 -4.7525 -4.7525 -4.5246 -4.5246 -4.4196 -4.4196 0.8423 0.8423 2.2906 2.2906 2.3437 2.3437 5.6021 5.6021 5.6212 5.6212 8.7640 8.7640 10.5290 10.5290 11.2672 11.2672 11.4427 11.4427 k = 0.4013 0.1119 0.4399 ( 3266 PWs) bands (ev): -20.7729 -20.7729 -20.7705 -20.7705 -14.3644 -14.3644 -8.3632 -8.3632 -5.5902 -5.5902 -5.5172 -5.5172 -4.7893 -4.7893 -4.7621 -4.7621 -4.5159 -4.5159 -4.4140 -4.4140 0.8434 0.8434 2.3023 2.3023 2.3439 2.3439 5.5922 5.5922 5.6110 5.6110 8.7923 8.7923 10.5157 10.5157 11.2655 11.2655 11.4982 11.4982 k = 0.3947 0.1183 0.4529 ( 3268 PWs) bands (ev): -20.7718 -20.7718 -20.7698 -20.7698 -14.3662 -14.3662 -8.3608 -8.3608 -5.6022 -5.6022 -5.5217 -5.5217 -4.7980 -4.7980 -4.7702 -4.7702 -4.5073 -4.5073 -4.4088 -4.4088 0.8446 0.8446 2.3138 2.3138 2.3446 2.3446 5.5820 5.5820 5.6008 5.6008 8.8223 8.8223 10.5013 10.5013 11.2502 11.2502 11.5709 11.5709 k = 0.3882 0.1246 0.4659 ( 3262 PWs) bands (ev): -20.7706 -20.7706 -20.7690 -20.7690 -14.3681 -14.3681 -8.3583 -8.3583 -5.6144 -5.6144 -5.5262 -5.5262 -4.8076 -4.8076 -4.7770 -4.7770 -4.4989 -4.4989 -4.4042 -4.4042 0.8457 0.8457 2.3245 2.3245 2.3461 2.3461 5.5716 5.5716 5.5906 5.5906 8.8541 8.8541 10.4859 10.4859 11.2296 11.2296 11.6516 11.6516 k = 0.3816 0.1310 0.4790 ( 3260 PWs) bands (ev): -20.7693 -20.7693 -20.7683 -20.7683 -14.3700 -14.3700 -8.3558 -8.3558 -5.6268 -5.6268 -5.5306 -5.5306 -4.8177 -4.8177 -4.7826 -4.7826 -4.4908 -4.4908 -4.4000 -4.4000 0.8469 0.8469 2.3331 2.3331 2.3498 2.3498 5.5611 5.5611 5.5806 5.5806 8.8875 8.8875 10.4694 10.4694 11.2069 11.2069 11.7006 11.7006 k = 0.3750 0.1374 0.4920 ( 3262 PWs) bands (ev): -20.7681 -20.7681 -20.7675 -20.7675 -14.3719 -14.3719 -8.3532 -8.3532 -5.6394 -5.6394 -5.5349 -5.5349 -4.8281 -4.8281 -4.7873 -4.7873 -4.4829 -4.4829 -4.3962 -4.3962 0.8482 0.8482 2.3379 2.3379 2.3572 2.3572 5.5506 5.5506 5.5706 5.5706 8.9225 8.9225 10.4516 10.4516 11.1836 11.1836 11.6437 11.6437 k = 0.3684 0.1437 0.5051 ( 3264 PWs) bands (ev): -20.7669 -20.7669 -20.7668 -20.7668 -14.3738 -14.3738 -8.3507 -8.3507 -5.6520 -5.6520 -5.5391 -5.5391 -4.8386 -4.8386 -4.7914 -4.7914 -4.4753 -4.4753 -4.3929 -4.3929 0.8494 0.8494 2.3401 2.3401 2.3669 2.3669 5.5402 5.5402 5.5608 5.5608 8.9590 8.9590 10.4326 10.4326 11.1604 11.1604 11.5854 11.5854 k = 0.3618 0.1501 0.5181 ( 3270 PWs) bands (ev): -20.7661 -20.7661 -20.7656 -20.7656 -14.3758 -14.3758 -8.3481 -8.3481 -5.6646 -5.6646 -5.5431 -5.5431 -4.8489 -4.8489 -4.7949 -4.7949 -4.4680 -4.4680 -4.3899 -4.3899 0.8506 0.8506 2.3414 2.3414 2.3773 2.3773 5.5301 5.5301 5.5511 5.5511 8.9969 8.9969 10.4123 10.4123 11.1378 11.1378 11.5291 11.5291 k = 0.3553 0.1565 0.5311 ( 3270 PWs) bands (ev): -20.7653 -20.7653 -20.7644 -20.7644 -14.3777 -14.3777 -8.3456 -8.3456 -5.6770 -5.6770 -5.5469 -5.5469 -4.8589 -4.8589 -4.7980 -4.7980 -4.4610 -4.4610 -4.3874 -4.3874 0.8518 0.8518 2.3424 2.3424 2.3877 2.3877 5.5202 5.5202 5.5417 5.5417 9.0362 9.0362 10.3906 10.3906 11.1160 11.1160 11.4753 11.4753 k = 0.3487 0.1628 0.5442 ( 3264 PWs) bands (ev): -20.7646 -20.7646 -20.7632 -20.7632 -14.3795 -14.3795 -8.3431 -8.3431 -5.6892 -5.6892 -5.5505 -5.5505 -4.8687 -4.8687 -4.8008 -4.8008 -4.4543 -4.4543 -4.3852 -4.3852 0.8529 0.8529 2.3434 2.3434 2.3977 2.3977 5.5107 5.5107 5.5325 5.5325 9.0767 9.0767 10.3675 10.3675 11.0952 11.0952 11.4242 11.4242 k = 0.3421 0.1692 0.5572 ( 3264 PWs) bands (ev): -20.7639 -20.7639 -20.7621 -20.7621 -14.3813 -14.3813 -8.3407 -8.3407 -5.7010 -5.7010 -5.5539 -5.5539 -4.8781 -4.8781 -4.8032 -4.8032 -4.4479 -4.4479 -4.3834 -4.3834 0.8541 0.8541 2.3443 2.3443 2.4073 2.4073 5.5017 5.5017 5.5236 5.5236 9.1184 9.1184 10.3429 10.3429 11.0756 11.0756 11.3760 11.3760 k = 0.3355 0.1756 0.5703 ( 3268 PWs) bands (ev): -20.7633 -20.7633 -20.7610 -20.7610 -14.3831 -14.3831 -8.3384 -8.3384 -5.7125 -5.7125 -5.5569 -5.5569 -4.8870 -4.8870 -4.8054 -4.8054 -4.4418 -4.4418 -4.3819 -4.3819 0.8552 0.8552 2.3452 2.3452 2.4164 2.4164 5.4931 5.4931 5.5151 5.5151 9.1610 9.1610 10.3167 10.3167 11.0572 11.0572 11.3307 11.3307 k = 0.3289 0.1819 0.5833 ( 3262 PWs) bands (ev): -20.7626 -20.7626 -20.7599 -20.7599 -14.3847 -14.3847 -8.3361 -8.3361 -5.7235 -5.7235 -5.5598 -5.5598 -4.8955 -4.8955 -4.8073 -4.8073 -4.4360 -4.4360 -4.3807 -4.3807 0.8562 0.8562 2.3461 2.3461 2.4248 2.4248 5.4850 5.4850 5.5070 5.5070 9.2045 9.2045 10.2890 10.2890 11.0401 11.0401 11.2886 11.2886 k = 0.3224 0.1883 0.5963 ( 3252 PWs) bands (ev): -20.7620 -20.7620 -20.7589 -20.7589 -14.3863 -14.3863 -8.3340 -8.3340 -5.7339 -5.7339 -5.5623 -5.5623 -4.9036 -4.9036 -4.8089 -4.8089 -4.4306 -4.4306 -4.3798 -4.3798 0.8572 0.8572 2.3470 2.3470 2.4327 2.4327 5.4776 5.4776 5.4993 5.4993 9.2487 9.2487 10.2599 10.2599 11.0243 11.0243 11.2498 11.2498 k = 0.3158 0.1947 0.6094 ( 3250 PWs) bands (ev): -20.7615 -20.7615 -20.7579 -20.7579 -14.3878 -14.3878 -8.3320 -8.3320 -5.7437 -5.7437 -5.5646 -5.5646 -4.9110 -4.9110 -4.8104 -4.8104 -4.4255 -4.4255 -4.3792 -4.3792 0.8582 0.8582 2.3479 2.3479 2.4399 2.4399 5.4707 5.4707 5.4922 5.4922 9.2933 9.2933 10.2292 10.2292 11.0100 11.0100 11.2142 11.2142 k = 0.3092 0.2010 0.6224 ( 3248 PWs) bands (ev): -20.7609 -20.7609 -20.7570 -20.7570 -14.3892 -14.3892 -8.3302 -8.3302 -5.7528 -5.7528 -5.5667 -5.5667 -4.9179 -4.9179 -4.8116 -4.8116 -4.4207 -4.4207 -4.3788 -4.3788 0.8590 0.8590 2.3488 2.3488 2.4464 2.4464 5.4644 5.4644 5.4855 5.4855 9.3383 9.3383 10.1972 10.1972 10.9970 10.9970 11.1820 11.1820 k = 0.3026 0.2074 0.6354 ( 3256 PWs) bands (ev): -20.7604 -20.7604 -20.7562 -20.7562 -14.3904 -14.3904 -8.3285 -8.3285 -5.7611 -5.7611 -5.5685 -5.5685 -4.9242 -4.9242 -4.8127 -4.8127 -4.4163 -4.4163 -4.3787 -4.3787 0.8598 0.8598 2.3496 2.3496 2.4523 2.4523 5.4587 5.4587 5.4795 5.4795 9.3832 9.3832 10.1641 10.1641 10.9854 10.9854 11.1532 11.1532 k = 0.2961 0.2138 0.6485 ( 3258 PWs) bands (ev): -20.7600 -20.7600 -20.7555 -20.7555 -14.3916 -14.3916 -8.3269 -8.3269 -5.7686 -5.7686 -5.5700 -5.5700 -4.9299 -4.9299 -4.8136 -4.8136 -4.4122 -4.4122 -4.3787 -4.3787 0.8605 0.8605 2.3504 2.3504 2.4575 2.4575 5.4536 5.4536 5.4741 5.4741 9.4279 9.4279 10.1300 10.1300 10.9751 10.9751 11.1279 11.1279 k = 0.2895 0.2201 0.6615 ( 3258 PWs) bands (ev): -20.7596 -20.7596 -20.7549 -20.7549 -14.3926 -14.3926 -8.3256 -8.3256 -5.7752 -5.7752 -5.5714 -5.5714 -4.9349 -4.9349 -4.8144 -4.8144 -4.4085 -4.4085 -4.3790 -4.3790 0.8612 0.8612 2.3511 2.3511 2.4619 2.4619 5.4493 5.4493 5.4693 5.4693 9.4717 9.4717 10.0953 10.0953 10.9663 10.9663 11.1059 11.1059 k = 0.2829 0.2265 0.6746 ( 3254 PWs) bands (ev): -20.7593 -20.7593 -20.7543 -20.7543 -14.3934 -14.3934 -8.3244 -8.3244 -5.7808 -5.7808 -5.5725 -5.5725 -4.9391 -4.9391 -4.8150 -4.8150 -4.4051 -4.4051 -4.3795 -4.3795 0.8617 0.8617 2.3517 2.3517 2.4657 2.4657 5.4455 5.4455 5.4652 5.4652 9.5142 9.5142 10.0607 10.0607 10.9589 10.9589 11.0874 11.0874 k = 0.2763 0.2329 0.6876 ( 3258 PWs) bands (ev): -20.7590 -20.7590 -20.7539 -20.7539 -14.3941 -14.3941 -8.3235 -8.3235 -5.7855 -5.7855 -5.5733 -5.5733 -4.9427 -4.9427 -4.8155 -4.8155 -4.4022 -4.4022 -4.3801 -4.3801 0.8621 0.8621 2.3522 2.3522 2.4688 2.4688 5.4425 5.4425 5.4619 5.4619 9.5545 9.5545 10.0270 10.0270 10.9528 10.9528 11.0723 11.0723 k = 0.2697 0.2392 0.7006 ( 3252 PWs) bands (ev): -20.7588 -20.7588 -20.7535 -20.7535 -14.3947 -14.3947 -8.3227 -8.3227 -5.7892 -5.7892 -5.5740 -5.5740 -4.9454 -4.9454 -4.8159 -4.8159 -4.3996 -4.3996 -4.3808 -4.3808 0.8625 0.8625 2.3526 2.3526 2.4712 2.4712 5.4401 5.4401 5.4592 5.4592 9.5910 9.5910 9.9955 9.9955 10.9481 10.9481 11.0606 11.0606 k = 0.2632 0.2456 0.7137 ( 3252 PWs) bands (ev): -20.7587 -20.7587 -20.7533 -20.7533 -14.3951 -14.3951 -8.3222 -8.3222 -5.7918 -5.7918 -5.5745 -5.5745 -4.9474 -4.9474 -4.8162 -4.8162 -4.3977 -4.3977 -4.3815 -4.3815 0.8628 0.8628 2.3529 2.3529 2.4729 2.4729 5.4384 5.4384 5.4573 5.4573 9.6214 9.6214 9.9687 9.9687 10.9448 10.9448 11.0522 11.0522 k = 0.2566 0.2520 0.7267 ( 3252 PWs) bands (ev): -20.7586 -20.7586 -20.7531 -20.7531 -14.3953 -14.3953 -8.3218 -8.3218 -5.7934 -5.7934 -5.5748 -5.5748 -4.9486 -4.9486 -4.8163 -4.8163 -4.3964 -4.3964 -4.3820 -4.3820 0.8629 0.8629 2.3531 2.3531 2.4740 2.4740 5.4374 5.4374 5.4562 5.4562 9.6424 9.6424 9.9499 9.9499 10.9428 10.9428 11.0472 11.0472 k = 0.2500 0.2583 0.7398 ( 3248 PWs) bands (ev): -20.7585 -20.7585 -20.7530 -20.7530 -14.3954 -14.3954 -8.3217 -8.3217 -5.7939 -5.7939 -5.5749 -5.5749 -4.9490 -4.9490 -4.8164 -4.8164 -4.3959 -4.3959 -4.3822 -4.3822 0.8630 0.8630 2.3532 2.3532 2.4743 2.4743 5.4371 5.4371 5.4558 5.4558 9.6500 9.6500 9.9430 9.9430 10.9421 10.9421 11.0455 11.0455 k = 0.2669-0.2583 0.7398 ( 3253 PWs) bands (ev): -20.7760 -20.7760 -20.7412 -20.7412 -14.3991 -14.3991 -8.4504 -8.4504 -5.7939 -5.7939 -5.4704 -5.4704 -4.9619 -4.9619 -4.7137 -4.7137 -4.3967 -4.3967 -4.2300 -4.2300 0.8442 0.8442 2.3149 2.3149 2.4153 2.4153 5.5929 5.5929 5.6173 5.6173 9.2176 9.2176 9.8889 9.8889 11.3476 11.3476 11.5890 11.5890 k = 0.2734-0.2646 0.7269 ( 3250 PWs) bands (ev): -20.7744 -20.7744 -20.7441 -20.7441 -14.3990 -14.3990 -8.4572 -8.4572 -5.7886 -5.7886 -5.4710 -5.4710 -4.9474 -4.9474 -4.7167 -4.7167 -4.3822 -4.3822 -4.2298 -4.2298 0.8465 0.8465 2.2990 2.2990 2.4188 2.4188 5.6011 5.6011 5.6220 5.6220 9.2075 9.2075 9.8841 9.8841 11.2965 11.2965 11.5745 11.5745 k = 0.2799-0.2709 0.7141 ( 3248 PWs) bands (ev): -20.7729 -20.7729 -20.7469 -20.7469 -14.3989 -14.3989 -8.4640 -8.4640 -5.7829 -5.7829 -5.4715 -5.4715 -4.9328 -4.9328 -4.7193 -4.7193 -4.3681 -4.3681 -4.2297 -4.2297 0.8488 0.8488 2.2825 2.2825 2.4221 2.4221 5.6060 5.6060 5.6307 5.6307 9.1958 9.1958 9.8795 9.8795 11.2471 11.2471 11.5593 11.5593 k = 0.2863-0.2771 0.7013 ( 3244 PWs) bands (ev): -20.7716 -20.7716 -20.7496 -20.7496 -14.3986 -14.3986 -8.4707 -8.4707 -5.7769 -5.7769 -5.4719 -5.4719 -4.9184 -4.9184 -4.7214 -4.7214 -4.3543 -4.3543 -4.2297 -4.2297 0.8510 0.8510 2.2655 2.2655 2.4253 2.4253 5.6088 5.6088 5.6418 5.6418 9.1823 9.1823 9.8749 9.8749 11.1997 11.1997 11.5437 11.5437 k = 0.2928-0.2834 0.6884 ( 3249 PWs) bands (ev): -20.7703 -20.7703 -20.7523 -20.7523 -14.3983 -14.3983 -8.4773 -8.4773 -5.7707 -5.7707 -5.4722 -5.4722 -4.9043 -4.9043 -4.7229 -4.7229 -4.3410 -4.3410 -4.2297 -4.2297 0.8530 0.8530 2.2480 2.2480 2.4284 2.4284 5.6110 5.6110 5.6540 5.6540 9.1671 9.1671 9.8706 9.8706 11.1542 11.1542 11.5280 11.5280 k = 0.2993-0.2897 0.6756 ( 3249 PWs) bands (ev): -20.7691 -20.7691 -20.7550 -20.7550 -14.3979 -14.3979 -8.4838 -8.4838 -5.7641 -5.7641 -5.4725 -5.4725 -4.8907 -4.8907 -4.7236 -4.7236 -4.3282 -4.3282 -4.2297 -4.2297 0.8550 0.8550 2.2302 2.2302 2.4314 2.4314 5.6131 5.6131 5.6665 5.6665 9.1500 9.1500 9.8665 9.8665 11.1108 11.1108 11.5123 11.5123 k = 0.3058-0.2959 0.6628 ( 3261 PWs) bands (ev): -20.7680 -20.7680 -20.7575 -20.7575 -14.3974 -14.3974 -8.4902 -8.4902 -5.7572 -5.7572 -5.4727 -5.4727 -4.8779 -4.8779 -4.7234 -4.7234 -4.3159 -4.3159 -4.2297 -4.2297 0.8569 0.8569 2.2122 2.2122 2.4343 2.4343 5.6152 5.6152 5.6792 5.6792 9.1312 9.1312 9.8625 9.8625 11.0695 11.0695 11.4969 11.4969 k = 0.3122-0.3022 0.6499 ( 3267 PWs) bands (ev): -20.7670 -20.7670 -20.7600 -20.7600 -14.3969 -14.3969 -8.4963 -8.4963 -5.7501 -5.7501 -5.4731 -5.4731 -4.8661 -4.8661 -4.7222 -4.7222 -4.3042 -4.3042 -4.2297 -4.2297 0.8586 0.8586 2.1941 2.1941 2.4371 2.4371 5.6175 5.6175 5.6917 5.6917 9.1107 9.1107 9.8588 9.8588 11.0305 11.0305 11.4818 11.4818 k = 0.3187-0.3084 0.6371 ( 3265 PWs) bands (ev): -20.7661 -20.7661 -20.7624 -20.7624 -14.3963 -14.3963 -8.5023 -8.5023 -5.7427 -5.7427 -5.4735 -5.4735 -4.8556 -4.8556 -4.7197 -4.7197 -4.2931 -4.2931 -4.2297 -4.2297 0.8603 0.8603 2.1760 2.1760 2.4398 2.4398 5.6200 5.6200 5.7041 5.7041 9.0887 9.0887 9.8554 9.8554 10.9937 10.9937 11.4671 11.4671 k = 0.3252-0.3147 0.6243 ( 3252 PWs) bands (ev): -20.7653 -20.7653 -20.7647 -20.7647 -14.3957 -14.3957 -8.5081 -8.5081 -5.7351 -5.7351 -5.4740 -5.4740 -4.8467 -4.8467 -4.7159 -4.7159 -4.2827 -4.2827 -4.2295 -4.2295 0.8619 0.8619 2.1580 2.1580 2.4425 2.4425 5.6226 5.6226 5.7163 5.7163 9.0654 9.0654 9.8521 9.8521 10.9593 10.9593 11.4530 11.4530 k = 0.3317-0.3210 0.6114 ( 3254 PWs) bands (ev): -20.7669 -20.7669 -20.7646 -20.7646 -14.3951 -14.3951 -8.5136 -8.5136 -5.7273 -5.7273 -5.4747 -5.4747 -4.8395 -4.8395 -4.7106 -4.7106 -4.2731 -4.2731 -4.2290 -4.2290 0.8634 0.8634 2.1402 2.1402 2.4450 2.4450 5.6253 5.6253 5.7281 5.7281 9.0410 9.0410 9.8491 9.8491 10.9271 10.9271 11.4394 11.4394 k = 0.3381-0.3272 0.5986 ( 3253 PWs) bands (ev): -20.7690 -20.7690 -20.7639 -20.7639 -14.3945 -14.3945 -8.5188 -8.5188 -5.7193 -5.7193 -5.4756 -5.4756 -4.8340 -4.8340 -4.7039 -4.7039 -4.2645 -4.2645 -4.2281 -4.2281 0.8648 0.8648 2.1228 2.1228 2.4476 2.4476 5.6280 5.6280 5.7395 5.7395 9.0160 9.0160 9.8462 9.8462 10.8972 10.8972 11.4265 11.4265 k = 0.3446-0.3335 0.5858 ( 3251 PWs) bands (ev): -20.7710 -20.7710 -20.7633 -20.7633 -14.3939 -14.3939 -8.5238 -8.5238 -5.7113 -5.7113 -5.4767 -5.4767 -4.8301 -4.8301 -4.6962 -4.6962 -4.2573 -4.2573 -4.2265 -4.2265 0.8660 0.8660 2.1059 2.1059 2.4500 2.4500 5.6308 5.6308 5.7505 5.7505 8.9906 8.9906 9.8434 9.8434 10.8697 10.8697 11.4142 11.4142 k = 0.3511-0.3398 0.5730 ( 3251 PWs) bands (ev): -20.7728 -20.7728 -20.7628 -20.7628 -14.3933 -14.3933 -8.5285 -8.5285 -5.7032 -5.7032 -5.4780 -5.4780 -4.8276 -4.8276 -4.6876 -4.6876 -4.2516 -4.2516 -4.2239 -4.2239 0.8672 0.8672 2.0896 2.0896 2.4524 2.4524 5.6335 5.6335 5.7609 5.7609 8.9652 8.9652 9.8408 9.8408 10.8444 10.8444 11.4025 11.4025 k = 0.3576-0.3460 0.5601 ( 3247 PWs) bands (ev): -20.7746 -20.7746 -20.7623 -20.7623 -14.3927 -14.3927 -8.5329 -8.5329 -5.6951 -5.6951 -5.4794 -5.4794 -4.8261 -4.8261 -4.6786 -4.6786 -4.2477 -4.2477 -4.2201 -4.2201 0.8683 0.8683 2.0740 2.0740 2.4546 2.4546 5.6362 5.6362 5.7707 5.7707 8.9401 8.9401 9.8383 9.8383 10.8214 10.8214 11.3915 11.3915 k = 0.3640-0.3523 0.5473 ( 3251 PWs) bands (ev): -20.7762 -20.7762 -20.7619 -20.7619 -14.3921 -14.3921 -8.5370 -8.5370 -5.6871 -5.6871 -5.4811 -5.4811 -4.8254 -4.8254 -4.6694 -4.6694 -4.2454 -4.2454 -4.2155 -4.2155 0.8693 0.8693 2.0593 2.0593 2.4568 2.4568 5.6388 5.6388 5.7799 5.7799 8.9158 8.9158 9.8359 9.8359 10.8007 10.8007 11.3812 11.3812 k = 0.3705-0.3586 0.5345 ( 3250 PWs) bands (ev): -20.7776 -20.7776 -20.7616 -20.7616 -14.3916 -14.3916 -8.5407 -8.5407 -5.6794 -5.6794 -5.4829 -5.4829 -4.8254 -4.8254 -4.6604 -4.6604 -4.2440 -4.2440 -4.2105 -4.2105 0.8702 0.8702 2.0456 2.0456 2.4588 2.4588 5.6413 5.6413 5.7884 5.7884 8.8926 8.8926 9.8337 9.8337 10.7821 10.7821 11.3717 11.3717 k = 0.3770-0.3648 0.5216 ( 3251 PWs) bands (ev): -20.7789 -20.7789 -20.7612 -20.7612 -14.3911 -14.3911 -8.5440 -8.5440 -5.6719 -5.6719 -5.4849 -5.4849 -4.8257 -4.8257 -4.6518 -4.6518 -4.2433 -4.2433 -4.2054 -4.2054 0.8710 0.8710 2.0330 2.0330 2.4607 2.4607 5.6436 5.6436 5.7962 5.7962 8.8708 8.8708 9.8317 9.8317 10.7656 10.7656 11.3630 11.3630 k = 0.3835-0.3711 0.5088 ( 3251 PWs) bands (ev): -20.7801 -20.7801 -20.7610 -20.7610 -14.3906 -14.3906 -8.5470 -8.5470 -5.6648 -5.6648 -5.4870 -5.4870 -4.8263 -4.8263 -4.6438 -4.6438 -4.2429 -4.2429 -4.2007 -4.2007 0.8718 0.8718 2.0216 2.0216 2.4624 2.4624 5.6458 5.6458 5.8032 5.8032 8.8508 8.8508 9.8298 9.8298 10.7512 10.7512 11.3552 11.3552 k = 0.3899-0.3774 0.4960 ( 3253 PWs) bands (ev): -20.7811 -20.7811 -20.7607 -20.7607 -14.3902 -14.3902 -8.5497 -8.5497 -5.6582 -5.6582 -5.4891 -5.4891 -4.8270 -4.8270 -4.6366 -4.6366 -4.2428 -4.2428 -4.1965 -4.1965 0.8724 0.8724 2.0115 2.0115 2.4640 2.4640 5.6477 5.6477 5.8093 5.8093 8.8328 8.8328 9.8281 9.8281 10.7389 10.7389 11.3483 11.3483 k = 0.3964-0.3836 0.4831 ( 3250 PWs) bands (ev): -20.7820 -20.7820 -20.7606 -20.7606 -14.3898 -14.3898 -8.5519 -8.5519 -5.6523 -5.6523 -5.4911 -5.4911 -4.8278 -4.8278 -4.6303 -4.6303 -4.2427 -4.2427 -4.1928 -4.1928 0.8729 0.8729 2.0028 2.0028 2.4653 2.4653 5.6493 5.6493 5.8145 5.8145 8.8172 8.8172 9.8267 9.8267 10.7285 10.7285 11.3423 11.3423 k = 0.4029-0.3899 0.4703 ( 3250 PWs) bands (ev): -20.7827 -20.7827 -20.7604 -20.7604 -14.3895 -14.3895 -8.5537 -8.5537 -5.6472 -5.6472 -5.4929 -5.4929 -4.8285 -4.8285 -4.6250 -4.6250 -4.2427 -4.2427 -4.1897 -4.1897 0.8733 0.8733 1.9956 1.9956 2.4665 2.4665 5.6507 5.6507 5.8189 5.8189 8.8040 8.8040 9.8254 9.8254 10.7201 10.7201 11.3374 11.3374 k = 0.4094-0.3962 0.4575 ( 3250 PWs) bands (ev): -20.7833 -20.7833 -20.7603 -20.7603 -14.3893 -14.3893 -8.5552 -8.5552 -5.6431 -5.6431 -5.4945 -5.4945 -4.8291 -4.8291 -4.6208 -4.6208 -4.2428 -4.2428 -4.1872 -4.1872 0.8737 0.8737 1.9899 1.9899 2.4674 2.4674 5.6518 5.6518 5.8223 5.8223 8.7936 8.7936 9.8244 9.8244 10.7136 10.7136 11.3335 11.3335 k = 0.4158-0.4024 0.4446 ( 3256 PWs) bands (ev): -20.7837 -20.7837 -20.7602 -20.7602 -14.3891 -14.3891 -8.5562 -8.5562 -5.6400 -5.6400 -5.4958 -5.4958 -4.8296 -4.8296 -4.6177 -4.6177 -4.2428 -4.2428 -4.1855 -4.1855 0.8739 0.8739 1.9858 1.9858 2.4680 2.4680 5.6526 5.6526 5.8247 5.8247 8.7861 8.7861 9.8237 9.8237 10.7090 10.7090 11.3307 11.3307 k = 0.4223-0.4087 0.4318 ( 3250 PWs) bands (ev): -20.7839 -20.7839 -20.7602 -20.7602 -14.3890 -14.3890 -8.5568 -8.5568 -5.6381 -5.6381 -5.4966 -5.4966 -4.8299 -4.8299 -4.6159 -4.6159 -4.2428 -4.2428 -4.1844 -4.1844 0.8741 0.8741 1.9833 1.9833 2.4684 2.4684 5.6531 5.6531 5.8262 5.8262 8.7815 8.7815 9.8233 9.8233 10.7063 10.7063 11.3290 11.3290 k = 0.4288-0.4150 0.4190 ( 3252 PWs) bands (ev): -20.7840 -20.7840 -20.7602 -20.7602 -14.3890 -14.3890 -8.5570 -8.5570 -5.6374 -5.6374 -5.4968 -5.4968 -4.8300 -4.8300 -4.6153 -4.6153 -4.2428 -4.2428 -4.1840 -4.1840 0.8741 0.8741 1.9824 1.9824 2.4685 2.4685 5.6533 5.6533 5.8267 5.8267 8.7800 8.7800 9.8231 9.8231 10.7053 10.7053 11.3284 11.3284 k = 0.5712 0.4477 0.0696 ( 3252 PWs) bands (ev): -20.7840 -20.7840 -20.7602 -20.7602 -14.3890 -14.3890 -8.5570 -8.5570 -5.6374 -5.6374 -5.4968 -5.4968 -4.8300 -4.8300 -4.6153 -4.6153 -4.2428 -4.2428 -4.1840 -4.1840 0.8741 0.8741 1.9824 1.9824 2.4685 2.4685 5.6533 5.6533 5.8267 5.8267 8.7800 8.7800 9.8231 9.8231 10.7053 10.7053 11.3284 11.3284 k = 0.5623 0.4563 0.0609 ( 3252 PWs) bands (ev): -20.7856 -20.7856 -20.7582 -20.7582 -14.3898 -14.3898 -8.5623 -8.5623 -5.6375 -5.6375 -5.5009 -5.5009 -4.8305 -4.8305 -4.6117 -4.6117 -4.2403 -4.2403 -4.1735 -4.1735 0.8755 0.8755 1.9725 1.9725 2.4722 2.4722 5.6572 5.6572 5.8293 5.8293 8.7809 8.7809 9.8577 9.8577 10.6674 10.6674 11.2847 11.2847 k = 0.5534 0.4650 0.0522 ( 3248 PWs) bands (ev): -20.7870 -20.7870 -20.7564 -20.7564 -14.3904 -14.3904 -8.5669 -8.5669 -5.6374 -5.6374 -5.5046 -5.5046 -4.8309 -4.8309 -4.6086 -4.6086 -4.2382 -4.2382 -4.1641 -4.1641 0.8767 0.8767 1.9636 1.9636 2.4753 2.4753 5.6608 5.6608 5.8315 5.8315 8.7807 8.7807 9.8919 9.8919 10.6340 10.6340 11.2436 11.2436 k = 0.5445 0.4736 0.0435 ( 3248 PWs) bands (ev): -20.7883 -20.7883 -20.7549 -20.7549 -14.3910 -14.3910 -8.5709 -8.5709 -5.6371 -5.6371 -5.5081 -5.5081 -4.8312 -4.8312 -4.6060 -4.6060 -4.2364 -4.2364 -4.1560 -4.1560 0.8777 0.8777 1.9560 1.9560 2.4780 2.4780 5.6641 5.6641 5.8334 5.8334 8.7798 8.7798 9.9243 9.9243 10.6055 10.6055 11.2060 11.2060 k = 0.5356 0.4822 0.0348 ( 3252 PWs) bands (ev): -20.7892 -20.7892 -20.7537 -20.7537 -14.3915 -14.3915 -8.5742 -8.5742 -5.6367 -5.6367 -5.5111 -5.5111 -4.8314 -4.8314 -4.6039 -4.6039 -4.2349 -4.2349 -4.1492 -4.1492 0.8785 0.8785 1.9496 1.9496 2.4803 2.4803 5.6669 5.6669 5.8350 5.8350 8.7786 8.7786 9.9536 9.9536 10.5820 10.5820 11.1731 11.1731 k = 0.5267 0.4908 0.0261 ( 3242 PWs) bands (ev): -20.7900 -20.7900 -20.7527 -20.7527 -14.3918 -14.3918 -8.5768 -8.5768 -5.6363 -5.6363 -5.5135 -5.5135 -4.8316 -4.8316 -4.6022 -4.6022 -4.2338 -4.2338 -4.1439 -4.1439 0.8792 0.8792 1.9445 1.9445 2.4820 2.4820 5.6691 5.6691 5.8362 5.8362 8.7773 8.7773 9.9782 9.9782 10.5636 10.5636 11.1459 11.1459 k = 0.5178 0.4994 0.0174 ( 3242 PWs) bands (ev): -20.7906 -20.7906 -20.7521 -20.7521 -14.3921 -14.3921 -8.5787 -8.5787 -5.6359 -5.6359 -5.5153 -5.5153 -4.8317 -4.8317 -4.6010 -4.6010 -4.2330 -4.2330 -4.1401 -4.1401 0.8797 0.8797 1.9409 1.9409 2.4832 2.4832 5.6708 5.6708 5.8371 5.8371 8.7763 8.7763 9.9970 9.9970 10.5503 10.5503 11.1255 11.1255 k = 0.5089 0.5080 0.0087 ( 3236 PWs) bands (ev): -20.7909 -20.7909 -20.7516 -20.7516 -14.3922 -14.3922 -8.5798 -8.5798 -5.6356 -5.6356 -5.5165 -5.5165 -4.8317 -4.8317 -4.6003 -4.6003 -4.2325 -4.2325 -4.1378 -4.1378 0.8800 0.8800 1.9386 1.9386 2.4840 2.4840 5.6718 5.6718 5.8376 5.8376 8.7756 8.7756 10.0087 10.0087 10.5424 10.5424 11.1128 11.1128 k = 0.5000 0.5166-0.0000 ( 3234 PWs) bands (ev): -20.7910 -20.7910 -20.7515 -20.7515 -14.3923 -14.3923 -8.5802 -8.5802 -5.6356 -5.6356 -5.5168 -5.5168 -4.8318 -4.8318 -4.6000 -4.6000 -4.2324 -4.2324 -4.1370 -4.1370 0.8801 0.8801 1.9379 1.9379 2.4842 2.4842 5.6722 5.6722 5.8378 5.8378 8.7754 8.7754 10.0128 10.0128 10.5397 10.5397 11.1084 11.1084 Writing output data file Rb2O2.save init_run : 0.60s CPU 0.72s WALL ( 1 calls) electrons : 128.61s CPU 130.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 128.60s CPU 130.65s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 388 calls) cegterg : 117.09s CPU 118.68s WALL ( 411 calls) Called by sum_band: Called by *egterg: h_psi : 75.23s CPU 76.86s WALL ( 7954 calls) s_psi : 2.93s CPU 3.10s WALL ( 7954 calls) g_psi : 0.16s CPU 0.16s WALL ( 7155 calls) cdiaghg : 40.20s CPU 39.88s WALL ( 7543 calls) cegterg:over : 3.31s CPU 3.41s WALL ( 7155 calls) cegterg:upda : 2.51s CPU 2.54s WALL ( 7155 calls) cegterg:last : 1.28s CPU 1.40s WALL ( 1197 calls) cdiaghg:chol : 1.93s CPU 2.14s WALL ( 7543 calls) cdiaghg:inve : 1.18s CPU 1.27s WALL ( 7543 calls) cdiaghg:para : 2.14s CPU 2.22s WALL ( 15086 calls) Called by h_psi: h_psi:vloc : 69.52s CPU 71.19s WALL ( 7954 calls) h_psi:vnl : 5.58s CPU 5.54s WALL ( 7954 calls) add_vuspsi : 2.74s CPU 2.89s WALL ( 7954 calls) General routines calbec : 2.82s CPU 2.63s WALL ( 7954 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.87s CPU 66.82s WALL ( 645792 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.17s WALL ( 776 calls) Parallel routines fft_scatter : 21.09s CPU 21.93s WALL ( 645815 calls) PWSCF : 2m21.84s CPU 2m44.93s WALL This run was terminated on: 21: 8:27 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=