Program PWSCF v.5.1.1 starts on 28Jul2015 at 0:26:23 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./FeBr3.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 89 73 20 2972 2196 321 Max 90 74 21 2974 2219 323 Sum 2859 2345 647 95121 70631 10311 bravais-lattice index = 14 lattice parameter (alat) = 13.5424 a.u. unit-cell volume = 1477.3845 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.542433 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.598723 celldm(5)= 0.598723 celldm(6)= 0.598723 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.598723 0.800956 0.000000 ) a(3) = ( 0.598723 0.299959 0.742668 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.747510 -0.504264 ) b(2) = ( 0.000000 1.248508 -0.504264 ) b(3) = ( 0.000000 0.000000 1.346497 ) PseudoPot. # 1 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Br 7.00 79.90400 Br( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 217 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 2) = ( 0.0166667 -0.0124585 -0.0084044), wk = 0.0046083 k( 3) = ( 0.0333333 -0.0249170 -0.0168088), wk = 0.0046083 k( 4) = ( 0.0500000 -0.0373755 -0.0252132), wk = 0.0046083 k( 5) = ( 0.0666667 -0.0498340 -0.0336176), wk = 0.0046083 k( 6) = ( 0.0833333 -0.0622925 -0.0420220), wk = 0.0046083 k( 7) = ( 0.1000000 -0.0747510 -0.0504264), wk = 0.0046083 k( 8) = ( 0.1166667 -0.0872095 -0.0588308), wk = 0.0046083 k( 9) = ( 0.1333333 -0.0996680 -0.0672352), wk = 0.0046083 k( 10) = ( 0.1500000 -0.1121265 -0.0756396), wk = 0.0046083 k( 11) = ( 0.1666667 -0.1245850 -0.0840440), wk = 0.0046083 k( 12) = ( 0.1833333 -0.1370435 -0.0924484), wk = 0.0046083 k( 13) = ( 0.2000000 -0.1495020 -0.1008528), wk = 0.0046083 k( 14) = ( 0.2166667 -0.1619605 -0.1092572), wk = 0.0046083 k( 15) = ( 0.2333333 -0.1744190 -0.1176616), wk = 0.0046083 k( 16) = ( 0.2500000 -0.1868776 -0.1260660), wk = 0.0046083 k( 17) = ( 0.2666667 -0.1993361 -0.1344704), wk = 0.0046083 k( 18) = ( 0.2833333 -0.2117946 -0.1428748), wk = 0.0046083 k( 19) = ( 0.3000000 -0.2242531 -0.1512792), wk = 0.0046083 k( 20) = ( 0.3166667 -0.2367116 -0.1596836), wk = 0.0046083 k( 21) = ( 0.3333333 -0.2491701 -0.1680880), wk = 0.0046083 k( 22) = ( 0.3500000 -0.2616286 -0.1764924), wk = 0.0046083 k( 23) = ( 0.3666667 -0.2740871 -0.1848968), wk = 0.0046083 k( 24) = ( 0.3833333 -0.2865456 -0.1933012), wk = 0.0046083 k( 25) = ( 0.4000000 -0.2990041 -0.2017056), wk = 0.0046083 k( 26) = ( 0.4166667 -0.3114626 -0.2101100), wk = 0.0046083 k( 27) = ( 0.4333333 -0.3239211 -0.2185144), wk = 0.0046083 k( 28) = ( 0.4500000 -0.3363796 -0.2269188), wk = 0.0046083 k( 29) = ( 0.4666667 -0.3488381 -0.2353232), wk = 0.0046083 k( 30) = ( 0.4833333 -0.3612966 -0.2437276), wk = 0.0046083 k( 31) = ( 0.5000000 -0.3737551 -0.2521320), wk = 0.0046083 k( 32) = ( 0.5000000 -0.3737551 -0.2521320), wk = 0.0046083 k( 33) = ( 0.5000000 -0.3614037 -0.2704415), wk = 0.0046083 k( 34) = ( 0.5000000 -0.3490524 -0.2887509), wk = 0.0046083 k( 35) = ( 0.5000000 -0.3367010 -0.3070603), wk = 0.0046083 k( 36) = ( 0.5000000 -0.3243496 -0.3253697), wk = 0.0046083 k( 37) = ( 0.5000000 -0.3119982 -0.3436791), wk = 0.0046083 k( 38) = ( 0.5000000 -0.2996469 -0.3619885), wk = 0.0046083 k( 39) = ( 0.5000000 -0.2872955 -0.3802979), wk = 0.0046083 k( 40) = ( 0.5000000 -0.2749441 -0.3986073), wk = 0.0046083 k( 41) = ( 0.5000000 -0.2625928 -0.4169167), wk = 0.0046083 k( 42) = ( 0.5000000 -0.2502414 -0.4352261), wk = 0.0046083 k( 43) = ( 0.5000000 -0.2378900 -0.4535355), wk = 0.0046083 k( 44) = ( 0.5000000 -0.2255386 -0.4718449), wk = 0.0046083 k( 45) = ( 0.5000000 -0.2131873 -0.4901544), wk = 0.0046083 k( 46) = ( 0.5000000 -0.2008359 -0.5084637), wk = 0.0046083 k( 47) = ( 0.5000000 -0.1884845 -0.5267732), wk = 0.0046083 k( 48) = ( 0.5000000 -0.1761332 -0.5450826), wk = 0.0046083 k( 49) = ( 0.5000000 -0.1637818 -0.5633920), wk = 0.0046083 k( 50) = ( 0.5000000 -0.1514304 -0.5817014), wk = 0.0046083 k( 51) = ( 0.5000000 -0.1390790 -0.6000108), wk = 0.0046083 k( 52) = ( 0.5000000 -0.1267277 -0.6183202), wk = 0.0046083 k( 53) = ( 0.5000000 -0.1143763 -0.6366296), wk = 0.0046083 k( 54) = ( 0.5000000 -0.1020249 -0.6549390), wk = 0.0046083 k( 55) = ( 0.5000000 -0.0896735 -0.6732484), wk = 0.0046083 k( 56) = ( 0.7724631 0.0468298 -0.3352797), wk = 0.0046083 k( 57) = ( 0.7623719 0.0543731 -0.3166033), wk = 0.0046083 k( 58) = ( 0.7522807 0.0619164 -0.2979268), wk = 0.0046083 k( 59) = ( 0.7421894 0.0694597 -0.2792504), wk = 0.0046083 k( 60) = ( 0.7320982 0.0770030 -0.2605740), wk = 0.0046083 k( 61) = ( 0.7220070 0.0845463 -0.2418975), wk = 0.0046083 k( 62) = ( 0.7119157 0.0920896 -0.2232210), wk = 0.0046083 k( 63) = ( 0.7018245 0.0996329 -0.2045446), wk = 0.0046083 k( 64) = ( 0.6917333 0.1071762 -0.1858682), wk = 0.0046083 k( 65) = ( 0.6816421 0.1147194 -0.1671917), wk = 0.0046083 k( 66) = ( 0.6715509 0.1222627 -0.1485153), wk = 0.0046083 k( 67) = ( 0.6614596 0.1298060 -0.1298388), wk = 0.0046083 k( 68) = ( 0.6513684 0.1373493 -0.1111624), wk = 0.0046083 k( 69) = ( 0.6412772 0.1448926 -0.0924859), wk = 0.0046083 k( 70) = ( 0.6311859 0.1524359 -0.0738095), wk = 0.0046083 k( 71) = ( 0.6210947 0.1599792 -0.0551330), wk = 0.0046083 k( 72) = ( 0.6110035 0.1675225 -0.0364566), wk = 0.0046083 k( 73) = ( 0.6009123 0.1750658 -0.0177801), wk = 0.0046083 k( 74) = ( 0.5908210 0.1826091 0.0008963), wk = 0.0046083 k( 75) = ( 0.5807298 0.1901524 0.0195728), wk = 0.0046083 k( 76) = ( 0.5706386 0.1976957 0.0382492), wk = 0.0046083 k( 77) = ( 0.5605474 0.2052390 0.0569257), wk = 0.0046083 k( 78) = ( 0.5504561 0.2127823 0.0756021), wk = 0.0046083 k( 79) = ( 0.5403649 0.2203256 0.0942785), wk = 0.0046083 k( 80) = ( 0.5302737 0.2278689 0.1129550), wk = 0.0046083 k( 81) = ( 0.5201824 0.2354122 0.1316315), wk = 0.0046083 k( 82) = ( 0.5100912 0.2429555 0.1503079), wk = 0.0046083 k( 83) = ( 0.5000000 0.2504988 0.1689843), wk = 0.0046083 k( 84) = ( 0.5000000 0.2504988 0.1689843), wk = 0.0046083 k( 85) = ( 0.4807692 0.2408642 0.1624849), wk = 0.0046083 k( 86) = ( 0.4615385 0.2312296 0.1559855), wk = 0.0046083 k( 87) = ( 0.4423077 0.2215950 0.1494862), wk = 0.0046083 k( 88) = ( 0.4230769 0.2119605 0.1429868), wk = 0.0046083 k( 89) = ( 0.4038462 0.2023259 0.1364874), wk = 0.0046083 k( 90) = ( 0.3846154 0.1926913 0.1299880), wk = 0.0046083 k( 91) = ( 0.3653846 0.1830568 0.1234886), wk = 0.0046083 k( 92) = ( 0.3461538 0.1734222 0.1169892), wk = 0.0046083 k( 93) = ( 0.3269231 0.1637876 0.1104898), wk = 0.0046083 k( 94) = ( 0.3076923 0.1541531 0.1039904), wk = 0.0046083 k( 95) = ( 0.2884615 0.1445185 0.0974910), wk = 0.0046083 k( 96) = ( 0.2692308 0.1348839 0.0909916), wk = 0.0046083 k( 97) = ( 0.2500000 0.1252494 0.0844922), wk = 0.0046083 k( 98) = ( 0.2307692 0.1156148 0.0779928), wk = 0.0046083 k( 99) = ( 0.2115385 0.1059802 0.0714934), wk = 0.0046083 k( 100) = ( 0.1923077 0.0963457 0.0649940), wk = 0.0046083 k( 101) = ( 0.1730769 0.0867111 0.0584946), wk = 0.0046083 k( 102) = ( 0.1538461 0.0770765 0.0519952), wk = 0.0046083 k( 103) = ( 0.1346154 0.0674420 0.0454958), wk = 0.0046083 k( 104) = ( 0.1153846 0.0578074 0.0389964), wk = 0.0046083 k( 105) = ( 0.0961538 0.0481728 0.0324970), wk = 0.0046083 k( 106) = ( 0.0769231 0.0385383 0.0259976), wk = 0.0046083 k( 107) = ( 0.0576923 0.0289037 0.0194982), wk = 0.0046083 k( 108) = ( 0.0384615 0.0192691 0.0129988), wk = 0.0046083 k( 109) = ( 0.0192308 0.0096346 0.0064994), wk = 0.0046083 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 112) = ( 0.0101047 -0.0075534 -0.0187013), wk = 0.0046083 k( 113) = ( 0.0202094 -0.0151067 -0.0374027), wk = 0.0046083 k( 114) = ( 0.0303140 -0.0226601 -0.0561040), wk = 0.0046083 k( 115) = ( 0.0404187 -0.0302134 -0.0748054), wk = 0.0046083 k( 116) = ( 0.0505234 -0.0377668 -0.0935067), wk = 0.0046083 k( 117) = ( 0.0606281 -0.0453201 -0.1122081), wk = 0.0046083 k( 118) = ( 0.0707327 -0.0528735 -0.1309094), wk = 0.0046083 k( 119) = ( 0.0808374 -0.0604268 -0.1496108), wk = 0.0046083 k( 120) = ( 0.0909421 -0.0679802 -0.1683121), wk = 0.0046083 k( 121) = ( 0.1010468 -0.0755335 -0.1870135), wk = 0.0046083 k( 122) = ( 0.1111515 -0.0830869 -0.2057148), wk = 0.0046083 k( 123) = ( 0.1212561 -0.0906402 -0.2244161), wk = 0.0046083 k( 124) = ( 0.1313608 -0.0981936 -0.2431175), wk = 0.0046083 k( 125) = ( 0.1414655 -0.1057469 -0.2618188), wk = 0.0046083 k( 126) = ( 0.1515702 -0.1133003 -0.2805202), wk = 0.0046083 k( 127) = ( 0.1616749 -0.1208536 -0.2992215), wk = 0.0046083 k( 128) = ( 0.1717795 -0.1284070 -0.3179229), wk = 0.0046083 k( 129) = ( 0.1818842 -0.1359603 -0.3366242), wk = 0.0046083 k( 130) = ( 0.1919889 -0.1435137 -0.3553256), wk = 0.0046083 k( 131) = ( 0.2020936 -0.1510670 -0.3740269), wk = 0.0046083 k( 132) = ( 0.2121983 -0.1586204 -0.3927283), wk = 0.0046083 k( 133) = ( 0.2223029 -0.1661737 -0.4114296), wk = 0.0046083 k( 134) = ( 0.2324076 -0.1737271 -0.4301309), wk = 0.0046083 k( 135) = ( 0.2425123 -0.1812804 -0.4488323), wk = 0.0046083 k( 136) = ( 0.2526170 -0.1888338 -0.4675336), wk = 0.0046083 k( 137) = ( 0.2627216 -0.1963871 -0.4862350), wk = 0.0046083 k( 138) = ( 0.2728263 -0.2039405 -0.5049363), wk = 0.0046083 k( 139) = ( 0.2829310 -0.2114938 -0.5236377), wk = 0.0046083 k( 140) = ( 0.2930357 -0.2190472 -0.5423390), wk = 0.0046083 k( 141) = ( 0.3031404 -0.2266005 -0.5610404), wk = 0.0046083 k( 142) = ( 0.3132451 -0.2341539 -0.5797417), wk = 0.0046083 k( 143) = ( 0.3233497 -0.2417072 -0.5984431), wk = 0.0046083 k( 144) = ( 0.3334544 -0.2492606 -0.6171444), wk = 0.0046083 k( 145) = ( 0.3435591 -0.2568139 -0.6358457), wk = 0.0046083 k( 146) = ( 0.3536638 -0.2643673 -0.6545471), wk = 0.0046083 k( 147) = ( 0.3637684 -0.2719206 -0.6732484), wk = 0.0046083 k( 148) = ( 0.6362316 -0.0214219 -0.5042641), wk = 0.0046083 k( 149) = ( 0.6265007 -0.0019990 -0.5042641), wk = 0.0046083 k( 150) = ( 0.6167699 0.0174239 -0.5042641), wk = 0.0046083 k( 151) = ( 0.6070391 0.0368468 -0.5042641), wk = 0.0046083 k( 152) = ( 0.5973082 0.0562697 -0.5042641), wk = 0.0046083 k( 153) = ( 0.5875774 0.0756926 -0.5042641), wk = 0.0046083 k( 154) = ( 0.5778466 0.0951155 -0.5042641), wk = 0.0046083 k( 155) = ( 0.5681158 0.1145384 -0.5042641), wk = 0.0046083 k( 156) = ( 0.5583849 0.1339613 -0.5042641), wk = 0.0046083 k( 157) = ( 0.5486541 0.1533842 -0.5042641), wk = 0.0046083 k( 158) = ( 0.5389233 0.1728071 -0.5042641), wk = 0.0046083 k( 159) = ( 0.5291925 0.1922300 -0.5042641), wk = 0.0046083 k( 160) = ( 0.5194616 0.2116529 -0.5042641), wk = 0.0046083 k( 161) = ( 0.5097308 0.2310758 -0.5042641), wk = 0.0046083 k( 162) = ( 0.5000000 0.2504988 -0.5042641), wk = 0.0046083 k( 163) = ( 0.5000000 0.2504988 -0.5042641), wk = 0.0046083 k( 164) = ( 0.5136232 0.2573239 -0.4873657), wk = 0.0046083 k( 165) = ( 0.5272463 0.2641491 -0.4704672), wk = 0.0046083 k( 166) = ( 0.5408695 0.2709743 -0.4535688), wk = 0.0046083 k( 167) = ( 0.5544926 0.2777994 -0.4366703), wk = 0.0046083 k( 168) = ( 0.5681158 0.2846246 -0.4197719), wk = 0.0046083 k( 169) = ( 0.5817389 0.2914498 -0.4028735), wk = 0.0046083 k( 170) = ( 0.5953621 0.2982749 -0.3859750), wk = 0.0046083 k( 171) = ( 0.6089852 0.3051001 -0.3690766), wk = 0.0046083 k( 172) = ( 0.6226084 0.3119253 -0.3521782), wk = 0.0046083 k( 173) = ( 0.6362316 0.3187504 -0.3352797), wk = 0.0046083 k( 174) = ( 0.6362316 0.3187504 -0.3352797), wk = 0.0046083 k( 175) = ( 0.6305552 0.3159066 -0.3142687), wk = 0.0046083 k( 176) = ( 0.6248789 0.3130628 -0.2932577), wk = 0.0046083 k( 177) = ( 0.6192026 0.3102190 -0.2722467), wk = 0.0046083 k( 178) = ( 0.6135263 0.3073751 -0.2512357), wk = 0.0046083 k( 179) = ( 0.6078500 0.3045313 -0.2302247), wk = 0.0046083 k( 180) = ( 0.6021737 0.3016875 -0.2092137), wk = 0.0046083 k( 181) = ( 0.5964974 0.2988437 -0.1882027), wk = 0.0046083 k( 182) = ( 0.5908210 0.2959999 -0.1671917), wk = 0.0046083 k( 183) = ( 0.5851447 0.2931560 -0.1461807), wk = 0.0046083 k( 184) = ( 0.5794684 0.2903122 -0.1251697), wk = 0.0046083 k( 185) = ( 0.5737921 0.2874684 -0.1041587), wk = 0.0046083 k( 186) = ( 0.5681158 0.2846246 -0.0831477), wk = 0.0046083 k( 187) = ( 0.5624395 0.2817808 -0.0621367), wk = 0.0046083 k( 188) = ( 0.5567631 0.2789369 -0.0411257), wk = 0.0046083 k( 189) = ( 0.5510868 0.2760931 -0.0201147), wk = 0.0046083 k( 190) = ( 0.5454105 0.2732493 0.0008963), wk = 0.0046083 k( 191) = ( 0.5397342 0.2704055 0.0219073), wk = 0.0046083 k( 192) = ( 0.5340579 0.2675617 0.0429183), wk = 0.0046083 k( 193) = ( 0.5283816 0.2647178 0.0639293), wk = 0.0046083 k( 194) = ( 0.5227053 0.2618740 0.0849403), wk = 0.0046083 k( 195) = ( 0.5170289 0.2590302 0.1059513), wk = 0.0046083 k( 196) = ( 0.5113526 0.2561864 0.1269623), wk = 0.0046083 k( 197) = ( 0.5056763 0.2533426 0.1479733), wk = 0.0046083 k( 198) = ( 0.5000000 0.2504988 0.1689843), wk = 0.0046083 k( 199) = ( 0.5000000 -0.3737551 -0.2521320), wk = 0.0046083 k( 200) = ( 0.5151368 -0.3598385 -0.2427440), wk = 0.0046083 k( 201) = ( 0.5302737 -0.3459219 -0.2333560), wk = 0.0046083 k( 202) = ( 0.5454105 -0.3320053 -0.2239680), wk = 0.0046083 k( 203) = ( 0.5605474 -0.3180887 -0.2145800), wk = 0.0046083 k( 204) = ( 0.5756842 -0.3041721 -0.2051919), wk = 0.0046083 k( 205) = ( 0.5908210 -0.2902555 -0.1958039), wk = 0.0046083 k( 206) = ( 0.6059579 -0.2763389 -0.1864159), wk = 0.0046083 k( 207) = ( 0.6210947 -0.2624223 -0.1770279), wk = 0.0046083 k( 208) = ( 0.6362316 -0.2485057 -0.1676399), wk = 0.0046083 k( 209) = ( 0.6513684 -0.2345891 -0.1582519), wk = 0.0046083 k( 210) = ( 0.6665052 -0.2206725 -0.1488638), wk = 0.0046083 k( 211) = ( 0.6816421 -0.2067559 -0.1394758), wk = 0.0046083 k( 212) = ( 0.6967789 -0.1928393 -0.1300878), wk = 0.0046083 k( 213) = ( 0.7119157 -0.1789227 -0.1206998), wk = 0.0046083 k( 214) = ( 0.7270526 -0.1650061 -0.1113118), wk = 0.0046083 k( 215) = ( 0.7421894 -0.1510895 -0.1019237), wk = 0.0046083 k( 216) = ( 0.7573263 -0.1371729 -0.0925357), wk = 0.0046083 k( 217) = ( 0.7724631 -0.1232564 -0.0831477), wk = 0.0046083 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 2) = ( 0.0166667 0.0000000 -0.0000000), wk = 0.0046083 k( 3) = ( 0.0333333 0.0000000 -0.0000000), wk = 0.0046083 k( 4) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0046083 k( 5) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0046083 k( 6) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0046083 k( 7) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0046083 k( 8) = ( 0.1166667 -0.0000000 -0.0000000), wk = 0.0046083 k( 9) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0046083 k( 10) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0046083 k( 11) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0046083 k( 12) = ( 0.1833333 -0.0000000 0.0000000), wk = 0.0046083 k( 13) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0046083 k( 14) = ( 0.2166667 -0.0000000 0.0000000), wk = 0.0046083 k( 15) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0046083 k( 16) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0046083 k( 17) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0046083 k( 18) = ( 0.2833333 0.0000000 0.0000000), wk = 0.0046083 k( 19) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0046083 k( 20) = ( 0.3166667 0.0000000 -0.0000000), wk = 0.0046083 k( 21) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0046083 k( 22) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0046083 k( 23) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0046083 k( 24) = ( 0.3833333 0.0000000 0.0000000), wk = 0.0046083 k( 25) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0046083 k( 26) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0046083 k( 27) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0046083 k( 28) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0046083 k( 29) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0046083 k( 30) = ( 0.4833333 0.0000000 0.0000000), wk = 0.0046083 k( 31) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0046083 k( 32) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0046083 k( 33) = ( 0.5000000 0.0098929 -0.0098929), wk = 0.0046083 k( 34) = ( 0.5000000 0.0197858 -0.0197858), wk = 0.0046083 k( 35) = ( 0.5000000 0.0296787 -0.0296787), wk = 0.0046083 k( 36) = ( 0.5000000 0.0395716 -0.0395716), wk = 0.0046083 k( 37) = ( 0.5000000 0.0494645 -0.0494645), wk = 0.0046083 k( 38) = ( 0.5000000 0.0593575 -0.0593575), wk = 0.0046083 k( 39) = ( 0.5000000 0.0692504 -0.0692504), wk = 0.0046083 k( 40) = ( 0.5000000 0.0791433 -0.0791433), wk = 0.0046083 k( 41) = ( 0.5000000 0.0890362 -0.0890362), wk = 0.0046083 k( 42) = ( 0.5000000 0.0989291 -0.0989291), wk = 0.0046083 k( 43) = ( 0.5000000 0.1088220 -0.1088220), wk = 0.0046083 k( 44) = ( 0.5000000 0.1187149 -0.1187149), wk = 0.0046083 k( 45) = ( 0.5000000 0.1286078 -0.1286078), wk = 0.0046083 k( 46) = ( 0.5000000 0.1385007 -0.1385007), wk = 0.0046083 k( 47) = ( 0.5000000 0.1483936 -0.1483936), wk = 0.0046083 k( 48) = ( 0.5000000 0.1582865 -0.1582865), wk = 0.0046083 k( 49) = ( 0.5000000 0.1681794 -0.1681794), wk = 0.0046083 k( 50) = ( 0.5000000 0.1780723 -0.1780723), wk = 0.0046083 k( 51) = ( 0.5000000 0.1879653 -0.1879653), wk = 0.0046083 k( 52) = ( 0.5000000 0.1978582 -0.1978582), wk = 0.0046083 k( 53) = ( 0.5000000 0.2077511 -0.2077511), wk = 0.0046083 k( 54) = ( 0.5000000 0.2176440 -0.2176440), wk = 0.0046083 k( 55) = ( 0.5000000 0.2275369 -0.2275369), wk = 0.0046083 k( 56) = ( 0.7724631 0.5000000 0.2275369), wk = 0.0046083 k( 57) = ( 0.7623719 0.5000000 0.2376281), wk = 0.0046083 k( 58) = ( 0.7522807 0.5000000 0.2477193), wk = 0.0046083 k( 59) = ( 0.7421894 0.5000000 0.2578106), wk = 0.0046083 k( 60) = ( 0.7320982 0.5000000 0.2679018), wk = 0.0046083 k( 61) = ( 0.7220070 0.5000000 0.2779930), wk = 0.0046083 k( 62) = ( 0.7119157 0.5000000 0.2880842), wk = 0.0046083 k( 63) = ( 0.7018245 0.5000000 0.2981755), wk = 0.0046083 k( 64) = ( 0.6917333 0.5000000 0.3082667), wk = 0.0046083 k( 65) = ( 0.6816421 0.5000000 0.3183579), wk = 0.0046083 k( 66) = ( 0.6715509 0.5000000 0.3284491), wk = 0.0046083 k( 67) = ( 0.6614596 0.5000000 0.3385404), wk = 0.0046083 k( 68) = ( 0.6513684 0.5000000 0.3486316), wk = 0.0046083 k( 69) = ( 0.6412772 0.5000000 0.3587228), wk = 0.0046083 k( 70) = ( 0.6311859 0.5000000 0.3688141), wk = 0.0046083 k( 71) = ( 0.6210947 0.5000000 0.3789053), wk = 0.0046083 k( 72) = ( 0.6110035 0.5000000 0.3889965), wk = 0.0046083 k( 73) = ( 0.6009123 0.5000000 0.3990877), wk = 0.0046083 k( 74) = ( 0.5908210 0.5000000 0.4091790), wk = 0.0046083 k( 75) = ( 0.5807298 0.5000000 0.4192702), wk = 0.0046083 k( 76) = ( 0.5706386 0.5000000 0.4293614), wk = 0.0046083 k( 77) = ( 0.5605474 0.5000000 0.4394526), wk = 0.0046083 k( 78) = ( 0.5504561 0.5000000 0.4495439), wk = 0.0046083 k( 79) = ( 0.5403649 0.5000000 0.4596351), wk = 0.0046083 k( 80) = ( 0.5302737 0.5000000 0.4697263), wk = 0.0046083 k( 81) = ( 0.5201824 0.5000000 0.4798175), wk = 0.0046083 k( 82) = ( 0.5100912 0.5000000 0.4899088), wk = 0.0046083 k( 83) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046083 k( 84) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046083 k( 85) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0046083 k( 86) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0046083 k( 87) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0046083 k( 88) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0046083 k( 89) = ( 0.4038462 0.4038462 0.4038462), wk = 0.0046083 k( 90) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0046083 k( 91) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0046083 k( 92) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0046083 k( 93) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0046083 k( 94) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0046083 k( 95) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0046083 k( 96) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0046083 k( 97) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0046083 k( 98) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0046083 k( 99) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0046083 k( 100) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0046083 k( 101) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0046083 k( 102) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0046083 k( 103) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0046083 k( 104) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0046083 k( 105) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0046083 k( 106) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0046083 k( 107) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0046083 k( 108) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0046083 k( 109) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0046083 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 112) = ( 0.0101047 0.0000000 -0.0101047), wk = 0.0046083 k( 113) = ( 0.0202094 0.0000000 -0.0202094), wk = 0.0046083 k( 114) = ( 0.0303140 0.0000000 -0.0303140), wk = 0.0046083 k( 115) = ( 0.0404187 0.0000000 -0.0404187), wk = 0.0046083 k( 116) = ( 0.0505234 0.0000000 -0.0505234), wk = 0.0046083 k( 117) = ( 0.0606281 0.0000000 -0.0606281), wk = 0.0046083 k( 118) = ( 0.0707327 0.0000000 -0.0707327), wk = 0.0046083 k( 119) = ( 0.0808374 0.0000000 -0.0808374), wk = 0.0046083 k( 120) = ( 0.0909421 -0.0000000 -0.0909421), wk = 0.0046083 k( 121) = ( 0.1010468 0.0000000 -0.1010468), wk = 0.0046083 k( 122) = ( 0.1111515 0.0000000 -0.1111515), wk = 0.0046083 k( 123) = ( 0.1212561 0.0000000 -0.1212562), wk = 0.0046083 k( 124) = ( 0.1313608 0.0000000 -0.1313608), wk = 0.0046083 k( 125) = ( 0.1414655 -0.0000000 -0.1414655), wk = 0.0046083 k( 126) = ( 0.1515702 0.0000000 -0.1515702), wk = 0.0046083 k( 127) = ( 0.1616749 0.0000000 -0.1616749), wk = 0.0046083 k( 128) = ( 0.1717795 0.0000000 -0.1717795), wk = 0.0046083 k( 129) = ( 0.1818842 -0.0000000 -0.1818842), wk = 0.0046083 k( 130) = ( 0.1919889 0.0000000 -0.1919889), wk = 0.0046083 k( 131) = ( 0.2020936 0.0000000 -0.2020936), wk = 0.0046083 k( 132) = ( 0.2121983 0.0000000 -0.2121983), wk = 0.0046083 k( 133) = ( 0.2223029 0.0000000 -0.2223029), wk = 0.0046083 k( 134) = ( 0.2324076 0.0000000 -0.2324076), wk = 0.0046083 k( 135) = ( 0.2425123 0.0000000 -0.2425123), wk = 0.0046083 k( 136) = ( 0.2526170 0.0000000 -0.2526170), wk = 0.0046083 k( 137) = ( 0.2627216 0.0000000 -0.2627216), wk = 0.0046083 k( 138) = ( 0.2728263 0.0000000 -0.2728263), wk = 0.0046083 k( 139) = ( 0.2829310 0.0000000 -0.2829310), wk = 0.0046083 k( 140) = ( 0.2930357 0.0000000 -0.2930357), wk = 0.0046083 k( 141) = ( 0.3031404 0.0000000 -0.3031404), wk = 0.0046083 k( 142) = ( 0.3132451 0.0000000 -0.3132451), wk = 0.0046083 k( 143) = ( 0.3233497 0.0000000 -0.3233497), wk = 0.0046083 k( 144) = ( 0.3334544 0.0000000 -0.3334544), wk = 0.0046083 k( 145) = ( 0.3435591 0.0000000 -0.3435591), wk = 0.0046083 k( 146) = ( 0.3536638 0.0000000 -0.3536638), wk = 0.0046083 k( 147) = ( 0.3637684 -0.0000000 -0.3637684), wk = 0.0046083 k( 148) = ( 0.6362316 0.3637684 0.0000000), wk = 0.0046083 k( 149) = ( 0.6265007 0.3734993 -0.0000000), wk = 0.0046083 k( 150) = ( 0.6167699 0.3832301 0.0000000), wk = 0.0046083 k( 151) = ( 0.6070391 0.3929609 -0.0000000), wk = 0.0046083 k( 152) = ( 0.5973082 0.4026918 0.0000000), wk = 0.0046083 k( 153) = ( 0.5875774 0.4124226 -0.0000000), wk = 0.0046083 k( 154) = ( 0.5778466 0.4221534 0.0000000), wk = 0.0046083 k( 155) = ( 0.5681158 0.4318842 -0.0000000), wk = 0.0046083 k( 156) = ( 0.5583849 0.4416150 0.0000000), wk = 0.0046083 k( 157) = ( 0.5486541 0.4513459 0.0000000), wk = 0.0046083 k( 158) = ( 0.5389233 0.4610767 0.0000000), wk = 0.0046083 k( 159) = ( 0.5291925 0.4708075 0.0000000), wk = 0.0046083 k( 160) = ( 0.5194616 0.4805384 0.0000000), wk = 0.0046083 k( 161) = ( 0.5097308 0.4902692 -0.0000000), wk = 0.0046083 k( 162) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046083 k( 163) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046083 k( 164) = ( 0.5136232 0.5136232 0.0227537), wk = 0.0046083 k( 165) = ( 0.5272463 0.5272463 0.0455074), wk = 0.0046083 k( 166) = ( 0.5408695 0.5408695 0.0682611), wk = 0.0046083 k( 167) = ( 0.5544926 0.5544926 0.0910148), wk = 0.0046083 k( 168) = ( 0.5681158 0.5681158 0.1137684), wk = 0.0046083 k( 169) = ( 0.5817389 0.5817389 0.1365221), wk = 0.0046083 k( 170) = ( 0.5953621 0.5953621 0.1592758), wk = 0.0046083 k( 171) = ( 0.6089852 0.6089852 0.1820295), wk = 0.0046083 k( 172) = ( 0.6226084 0.6226084 0.2047832), wk = 0.0046083 k( 173) = ( 0.6362316 0.6362316 0.2275369), wk = 0.0046083 k( 174) = ( 0.6362316 0.6362316 0.2275369), wk = 0.0046083 k( 175) = ( 0.6305552 0.6305552 0.2388895), wk = 0.0046083 k( 176) = ( 0.6248789 0.6248789 0.2502421), wk = 0.0046083 k( 177) = ( 0.6192026 0.6192026 0.2615948), wk = 0.0046083 k( 178) = ( 0.6135263 0.6135263 0.2729474), wk = 0.0046083 k( 179) = ( 0.6078500 0.6078500 0.2843000), wk = 0.0046083 k( 180) = ( 0.6021737 0.6021737 0.2956527), wk = 0.0046083 k( 181) = ( 0.5964974 0.5964974 0.3070053), wk = 0.0046083 k( 182) = ( 0.5908210 0.5908210 0.3183579), wk = 0.0046083 k( 183) = ( 0.5851447 0.5851447 0.3297106), wk = 0.0046083 k( 184) = ( 0.5794684 0.5794684 0.3410632), wk = 0.0046083 k( 185) = ( 0.5737921 0.5737921 0.3524158), wk = 0.0046083 k( 186) = ( 0.5681158 0.5681158 0.3637684), wk = 0.0046083 k( 187) = ( 0.5624395 0.5624395 0.3751211), wk = 0.0046083 k( 188) = ( 0.5567631 0.5567631 0.3864737), wk = 0.0046083 k( 189) = ( 0.5510868 0.5510868 0.3978263), wk = 0.0046083 k( 190) = ( 0.5454105 0.5454105 0.4091790), wk = 0.0046083 k( 191) = ( 0.5397342 0.5397342 0.4205316), wk = 0.0046083 k( 192) = ( 0.5340579 0.5340579 0.4318842), wk = 0.0046083 k( 193) = ( 0.5283816 0.5283816 0.4432368), wk = 0.0046083 k( 194) = ( 0.5227053 0.5227053 0.4545895), wk = 0.0046083 k( 195) = ( 0.5170289 0.5170289 0.4659421), wk = 0.0046083 k( 196) = ( 0.5113526 0.5113526 0.4772947), wk = 0.0046083 k( 197) = ( 0.5056763 0.5056763 0.4886474), wk = 0.0046083 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046083 k( 199) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0046083 k( 200) = ( 0.5151368 0.0202094 0.0202094), wk = 0.0046083 k( 201) = ( 0.5302737 0.0404187 0.0404187), wk = 0.0046083 k( 202) = ( 0.5454105 0.0606281 0.0606281), wk = 0.0046083 k( 203) = ( 0.5605474 0.0808374 0.0808374), wk = 0.0046083 k( 204) = ( 0.5756842 0.1010468 0.1010468), wk = 0.0046083 k( 205) = ( 0.5908210 0.1212562 0.1212561), wk = 0.0046083 k( 206) = ( 0.6059579 0.1414655 0.1414655), wk = 0.0046083 k( 207) = ( 0.6210947 0.1616749 0.1616749), wk = 0.0046083 k( 208) = ( 0.6362316 0.1818842 0.1818842), wk = 0.0046083 k( 209) = ( 0.6513684 0.2020936 0.2020936), wk = 0.0046083 k( 210) = ( 0.6665052 0.2223029 0.2223029), wk = 0.0046083 k( 211) = ( 0.6816421 0.2425123 0.2425123), wk = 0.0046083 k( 212) = ( 0.6967789 0.2627217 0.2627217), wk = 0.0046083 k( 213) = ( 0.7119157 0.2829310 0.2829310), wk = 0.0046083 k( 214) = ( 0.7270526 0.3031404 0.3031404), wk = 0.0046083 k( 215) = ( 0.7421894 0.3233497 0.3233497), wk = 0.0046083 k( 216) = ( 0.7573263 0.3435591 0.3435591), wk = 0.0046083 k( 217) = ( 0.7724631 0.3637684 0.3637684), wk = 0.0046083 Dense grid: 95121 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 70631 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.60 Mb ( 566, 70) NL pseudopotentials 0.66 Mb ( 283, 152) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.02 Mb ( 2973) G-vector shells 0.02 Mb ( 2396) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.42 Mb ( 566, 280) Each subspace H/S matrix 1.20 Mb ( 280, 280) Each matrix 0.32 Mb ( 152, 2, 70) The potential is recalculated from file : ./FeBr3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.9 secs Computing kpt #: 5 total cpu time spent up to now is 10.5 secs Computing kpt #: 6 total cpu time spent up to now is 12.1 secs Computing kpt #: 7 total cpu time spent up to now is 13.7 secs Computing kpt #: 8 total cpu time spent up to now is 15.3 secs Computing kpt #: 9 total cpu time spent up to now is 16.9 secs Computing kpt #: 10 total cpu time spent up to now is 18.5 secs Computing kpt #: 11 total cpu time spent up to now is 20.1 secs Computing kpt #: 12 total cpu time spent up to now is 21.7 secs Computing kpt #: 13 total cpu time spent up to now is 23.3 secs Computing kpt #: 14 total cpu time spent up to now is 25.1 secs Computing kpt #: 15 total cpu time spent up to now is 26.9 secs Computing kpt #: 16 total cpu time spent up to now is 28.8 secs Computing kpt #: 17 total cpu time spent up to now is 30.7 secs Computing kpt #: 18 total cpu time spent up to now is 32.6 secs Computing kpt #: 19 total cpu time spent up to now is 34.6 secs Computing kpt #: 20 total cpu time spent up to now is 36.6 secs Computing kpt #: 21 total cpu time spent up to now is 38.5 secs Computing kpt #: 22 total cpu time spent up to now is 40.5 secs Computing kpt #: 23 total cpu time spent up to now is 42.5 secs Computing kpt #: 24 total cpu time spent up to now is 44.4 secs Computing kpt #: 25 total cpu time spent up to now is 46.4 secs Computing kpt #: 26 total cpu time spent up to now is 48.3 secs Computing kpt #: 27 total cpu time spent up to now is 50.2 secs Computing kpt #: 28 total cpu time spent up to now is 52.1 secs Computing kpt #: 29 total cpu time spent up to now is 54.0 secs Computing kpt #: 30 total cpu time spent up to now is 55.9 secs Computing kpt #: 31 total cpu time spent up to now is 57.7 secs Computing kpt #: 32 total cpu time spent up to now is 59.5 secs Computing kpt #: 33 total cpu time spent up to now is 61.3 secs Computing kpt #: 34 total cpu time spent up to now is 63.2 secs Computing kpt #: 35 total cpu time spent up to now is 65.1 secs Computing kpt #: 36 total cpu time spent up to now is 66.9 secs Computing kpt #: 37 total cpu time spent up to now is 68.8 secs Computing kpt #: 38 total cpu time spent up to now is 70.7 secs Computing kpt #: 39 total cpu time spent up to now is 72.5 secs Computing kpt #: 40 total cpu time spent up to now is 74.5 secs Computing kpt #: 41 total cpu time spent up to now is 76.4 secs Computing kpt #: 42 total cpu time spent up to now is 78.3 secs Computing kpt #: 43 total cpu time spent up to now is 80.2 secs Computing kpt #: 44 total cpu time spent up to now is 82.1 secs Computing kpt #: 45 total cpu time spent up to now is 84.0 secs Computing kpt #: 46 total cpu time spent up to now is 85.9 secs Computing kpt #: 47 total cpu time spent up to now is 87.8 secs Computing kpt #: 48 total cpu time spent up to now is 89.8 secs Computing kpt #: 49 total cpu time spent up to now is 91.6 secs Computing kpt #: 50 total cpu time spent up to now is 93.6 secs Computing kpt #: 51 total cpu time spent up to now is 95.5 secs Computing kpt #: 52 total cpu time spent up to now is 97.4 secs Computing kpt #: 53 total cpu time spent up to now is 99.4 secs Computing kpt #: 54 total cpu time spent up to now is 101.4 secs Computing kpt #: 55 total cpu time spent up to now is 103.3 secs Computing kpt #: 56 total cpu time spent up to now is 105.3 secs Computing kpt #: 57 total cpu time spent up to now is 107.3 secs Computing kpt #: 58 total cpu time spent up to now is 109.3 secs Computing kpt #: 59 total cpu time spent up to now is 111.3 secs Computing kpt #: 60 total cpu time spent up to now is 113.3 secs Computing kpt #: 61 total cpu time spent up to now is 115.3 secs Computing kpt #: 62 total cpu time spent up to now is 117.3 secs Computing kpt #: 63 total cpu time spent up to now is 119.3 secs Computing kpt #: 64 total cpu time spent up to now is 121.3 secs Computing kpt #: 65 total cpu time spent up to now is 123.4 secs Computing kpt #: 66 total cpu time spent up to now is 125.4 secs Computing kpt #: 67 total cpu time spent up to now is 127.4 secs Computing kpt #: 68 total cpu time spent up to now is 129.4 secs Computing kpt #: 69 total cpu time spent up to now is 131.4 secs Computing kpt #: 70 total cpu time spent up to now is 133.4 secs Computing kpt #: 71 total cpu time spent up to now is 135.4 secs Computing kpt #: 72 total cpu time spent up to now is 137.4 secs Computing kpt #: 73 total cpu time spent up to now is 139.4 secs Computing kpt #: 74 total cpu time spent up to now is 141.4 secs Computing kpt #: 75 total cpu time spent up to now is 143.4 secs Computing kpt #: 76 total cpu time spent up to now is 145.5 secs Computing kpt #: 77 total cpu time spent up to now is 147.8 secs Computing kpt #: 78 total cpu time spent up to now is 149.8 secs Computing kpt #: 79 total cpu time spent up to now is 151.7 secs Computing kpt #: 80 total cpu time spent up to now is 154.0 secs Computing kpt #: 81 total cpu time spent up to now is 156.0 secs Computing kpt #: 82 total cpu time spent up to now is 158.0 secs Computing kpt #: 83 total cpu time spent up to now is 160.1 secs Computing kpt #: 84 total cpu time spent up to now is 162.1 secs Computing kpt #: 85 total cpu time spent up to now is 164.4 secs Computing kpt #: 86 total cpu time spent up to now is 166.7 secs Computing kpt #: 87 total cpu time spent up to now is 168.9 secs Computing kpt #: 88 total cpu time spent up to now is 171.0 secs Computing kpt #: 89 total cpu time spent up to now is 173.0 secs Computing kpt #: 90 total cpu time spent up to now is 175.0 secs Computing kpt #: 91 total cpu time spent up to now is 177.0 secs Computing kpt #: 92 total cpu time spent up to now is 179.0 secs Computing kpt #: 93 total cpu time spent up to now is 180.9 secs Computing kpt #: 94 total cpu time spent up to now is 182.8 secs Computing kpt #: 95 total cpu time spent up to now is 184.8 secs Computing kpt #: 96 total cpu time spent up to now is 186.6 secs Computing kpt #: 97 total cpu time spent up to now is 188.5 secs Computing kpt #: 98 total cpu time spent up to now is 190.4 secs Computing kpt #: 99 total cpu time spent up to now is 192.2 secs Computing kpt #: 100 total cpu time spent up to now is 194.0 secs Computing kpt #: 101 total cpu time spent up to now is 195.8 secs Computing kpt #: 102 total cpu time spent up to now is 197.5 secs Computing kpt #: 103 total cpu time spent up to now is 199.3 secs Computing kpt #: 104 total cpu time spent up to now is 201.0 secs Computing kpt #: 105 total cpu time spent up to now is 202.6 secs Computing kpt #: 106 total cpu time spent up to now is 204.1 secs Computing kpt #: 107 total cpu time spent up to now is 205.7 secs Computing kpt #: 108 total cpu time spent up to now is 207.2 secs Computing kpt #: 109 total cpu time spent up to now is 208.8 secs Computing kpt #: 110 total cpu time spent up to now is 210.3 secs Computing kpt #: 111 total cpu time spent up to now is 211.9 secs Computing kpt #: 112 total cpu time spent up to now is 213.4 secs Computing kpt #: 113 total cpu time spent up to now is 214.9 secs Computing kpt #: 114 total cpu time spent up to now is 216.5 secs Computing kpt #: 115 total cpu time spent up to now is 218.1 secs Computing kpt #: 116 total cpu time spent up to now is 219.7 secs Computing kpt #: 117 total cpu time spent up to now is 221.2 secs Computing kpt #: 118 total cpu time spent up to now is 222.8 secs Computing kpt #: 119 total cpu time spent up to now is 224.4 secs Computing kpt #: 120 total cpu time spent up to now is 225.9 secs Computing kpt #: 121 total cpu time spent up to now is 227.5 secs Computing kpt #: 122 total cpu time spent up to now is 229.1 secs Computing kpt #: 123 total cpu time spent up to now is 230.9 secs Computing kpt #: 124 total cpu time spent up to now is 232.8 secs Computing kpt #: 125 total cpu time spent up to now is 234.6 secs Computing kpt #: 126 total cpu time spent up to now is 236.4 secs Computing kpt #: 127 total cpu time spent up to now is 238.4 secs Computing kpt #: 128 total cpu time spent up to now is 240.3 secs Computing kpt #: 129 total cpu time spent up to now is 242.3 secs Computing kpt #: 130 total cpu time spent up to now is 244.4 secs Computing kpt #: 131 total cpu time spent up to now is 246.7 secs Computing kpt #: 132 total cpu time spent up to now is 249.0 secs Computing kpt #: 133 total cpu time spent up to now is 251.0 secs Computing kpt #: 134 total cpu time spent up to now is 253.0 secs Computing kpt #: 135 total cpu time spent up to now is 255.0 secs Computing kpt #: 136 total cpu time spent up to now is 257.0 secs Computing kpt #: 137 total cpu time spent up to now is 259.0 secs Computing kpt #: 138 total cpu time spent up to now is 260.9 secs Computing kpt #: 139 total cpu time spent up to now is 262.8 secs Computing kpt #: 140 total cpu time spent up to now is 264.8 secs Computing kpt #: 141 total cpu time spent up to now is 266.7 secs Computing kpt #: 142 total cpu time spent up to now is 268.6 secs Computing kpt #: 143 total cpu time spent up to now is 270.5 secs Computing kpt #: 144 total cpu time spent up to now is 272.4 secs Computing kpt #: 145 total cpu time spent up to now is 274.3 secs Computing kpt #: 146 total cpu time spent up to now is 276.2 secs Computing kpt #: 147 total cpu time spent up to now is 278.2 secs Computing kpt #: 148 total cpu time spent up to now is 280.1 secs Computing kpt #: 149 total cpu time spent up to now is 282.1 secs Computing kpt #: 150 total cpu time spent up to now is 284.1 secs Computing kpt #: 151 total cpu time spent up to now is 286.1 secs Computing kpt #: 152 total cpu time spent up to now is 288.1 secs Computing kpt #: 153 total cpu time spent up to now is 290.1 secs Computing kpt #: 154 total cpu time spent up to now is 292.1 secs Computing kpt #: 155 total cpu time spent up to now is 294.1 secs Computing kpt #: 156 total cpu time spent up to now is 296.0 secs Computing kpt #: 157 total cpu time spent up to now is 298.0 secs Computing kpt #: 158 total cpu time spent up to now is 300.0 secs Computing kpt #: 159 total cpu time spent up to now is 302.0 secs Computing kpt #: 160 total cpu time spent up to now is 304.0 secs Computing kpt #: 161 total cpu time spent up to now is 306.0 secs Computing kpt #: 162 total cpu time spent up to now is 308.0 secs Computing kpt #: 163 total cpu time spent up to now is 310.0 secs Computing kpt #: 164 total cpu time spent up to now is 312.0 secs Computing kpt #: 165 total cpu time spent up to now is 314.0 secs Computing kpt #: 166 total cpu time spent up to now is 316.0 secs Computing kpt #: 167 total cpu time spent up to now is 318.0 secs Computing kpt #: 168 total cpu time spent up to now is 320.0 secs Computing kpt #: 169 total cpu time spent up to now is 321.9 secs Computing kpt #: 170 total cpu time spent up to now is 323.9 secs Computing kpt #: 171 total cpu time spent up to now is 325.9 secs Computing kpt #: 172 total cpu time spent up to now is 327.8 secs Computing kpt #: 173 total cpu time spent up to now is 329.8 secs Computing kpt #: 174 total cpu time spent up to now is 331.7 secs Computing kpt #: 175 total cpu time spent up to now is 333.7 secs Computing kpt #: 176 total cpu time spent up to now is 335.6 secs Computing kpt #: 177 total cpu time spent up to now is 337.5 secs Computing kpt #: 178 total cpu time spent up to now is 339.5 secs Computing kpt #: 179 total cpu time spent up to now is 341.5 secs Computing kpt #: 180 total cpu time spent up to now is 343.4 secs Computing kpt #: 181 total cpu time spent up to now is 345.4 secs Computing kpt #: 182 total cpu time spent up to now is 347.4 secs Computing kpt #: 183 total cpu time spent up to now is 349.4 secs Computing kpt #: 184 total cpu time spent up to now is 351.4 secs Computing kpt #: 185 total cpu time spent up to now is 353.5 secs Computing kpt #: 186 total cpu time spent up to now is 355.5 secs Computing kpt #: 187 total cpu time spent up to now is 357.9 secs Computing kpt #: 188 total cpu time spent up to now is 360.2 secs Computing kpt #: 189 total cpu time spent up to now is 362.5 secs Computing kpt #: 190 total cpu time spent up to now is 364.5 secs Computing kpt #: 191 total cpu time spent up to now is 366.8 secs Computing kpt #: 192 total cpu time spent up to now is 369.2 secs Computing kpt #: 193 total cpu time spent up to now is 371.2 secs Computing kpt #: 194 total cpu time spent up to now is 373.1 secs Computing kpt #: 195 total cpu time spent up to now is 375.1 secs Computing kpt #: 196 total cpu time spent up to now is 377.1 secs Computing kpt #: 197 total cpu time spent up to now is 379.1 secs Computing kpt #: 198 total cpu time spent up to now is 381.1 secs Computing kpt #: 199 total cpu time spent up to now is 382.9 secs Computing kpt #: 200 total cpu time spent up to now is 384.7 secs Computing kpt #: 201 total cpu time spent up to now is 386.5 secs Computing kpt #: 202 total cpu time spent up to now is 388.3 secs Computing kpt #: 203 total cpu time spent up to now is 390.2 secs Computing kpt #: 204 total cpu time spent up to now is 392.0 secs Computing kpt #: 205 total cpu time spent up to now is 393.8 secs Computing kpt #: 206 total cpu time spent up to now is 395.7 secs Computing kpt #: 207 total cpu time spent up to now is 397.5 secs Computing kpt #: 208 total cpu time spent up to now is 399.3 secs Computing kpt #: 209 total cpu time spent up to now is 401.2 secs Computing kpt #: 210 total cpu time spent up to now is 403.1 secs Computing kpt #: 211 total cpu time spent up to now is 405.0 secs Computing kpt #: 212 total cpu time spent up to now is 406.9 secs Computing kpt #: 213 total cpu time spent up to now is 408.8 secs Computing kpt #: 214 total cpu time spent up to now is 410.7 secs Computing kpt #: 215 total cpu time spent up to now is 412.6 secs Computing kpt #: 216 total cpu time spent up to now is 414.5 secs Computing kpt #: 217 total cpu time spent up to now is 416.5 secs ethr = 1.72E-11, avg # of iterations = 29.7 total cpu time spent up to now is 416.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8901 PWs) bands (ev): -11.4332 -11.4332 -10.7434 -10.7434 -10.5790 -10.5790 -10.5786 -10.5786 -10.5717 -10.5717 -10.5706 -10.5706 -1.1050 -1.1050 -0.5430 -0.5430 -0.2758 -0.2758 -0.1179 -0.1179 -0.1082 -0.1082 0.1032 0.1032 0.2873 0.2873 0.6683 0.6683 0.8408 0.8408 0.9406 0.9406 1.0202 1.0202 1.0778 1.0778 1.1381 1.1381 2.3669 2.3669 2.3940 2.3940 2.4087 2.4087 2.9732 2.9732 2.9810 2.9810 3.0658 3.0658 3.0959 3.0959 3.1573 3.1573 3.2171 3.2171 3.2960 3.2960 3.3749 3.3749 4.2933 4.2933 4.3288 4.3288 4.3337 4.3337 4.4399 4.4399 7.6693 7.6693 k = 0.0167-0.0125-0.0084 ( 8901 PWs) bands (ev): -11.4327 -11.4327 -10.7432 -10.7432 -10.5803 -10.5803 -10.5799 -10.5799 -10.5708 -10.5708 -10.5698 -10.5698 -1.1042 -1.1042 -0.5483 -0.5483 -0.2728 -0.2728 -0.1167 -0.1167 -0.1082 -0.1082 0.0989 0.0989 0.2943 0.2943 0.6697 0.6697 0.8420 0.8420 0.9409 0.9409 1.0199 1.0199 1.0786 1.0786 1.1389 1.1389 2.3655 2.3655 2.3870 2.3870 2.4126 2.4126 2.9671 2.9671 2.9783 2.9783 3.0646 3.0646 3.0988 3.0988 3.1591 3.1591 3.2189 3.2189 3.2961 3.2961 3.3748 3.3748 4.2910 4.2910 4.3287 4.3287 4.3349 4.3349 4.4399 4.4399 7.6740 7.6740 k = 0.0333-0.0249-0.0168 ( 8883 PWs) bands (ev): -11.4310 -11.4310 -10.7426 -10.7426 -10.5838 -10.5838 -10.5824 -10.5824 -10.5695 -10.5695 -10.5681 -10.5681 -1.1018 -1.1018 -0.5629 -0.5629 -0.2655 -0.2655 -0.1167 -0.1167 -0.1040 -0.1040 0.0879 0.0879 0.3132 0.3132 0.6738 0.6738 0.8455 0.8455 0.9417 0.9417 1.0193 1.0193 1.0808 1.0808 1.1416 1.1416 2.3610 2.3610 2.3735 2.3735 2.4174 2.4174 2.9490 2.9490 2.9715 2.9715 3.0621 3.0621 3.1056 3.1056 3.1642 3.1642 3.2242 3.2242 3.2963 3.2963 3.3747 3.3747 4.2850 4.2850 4.3276 4.3276 4.3382 4.3382 4.4399 4.4399 7.6882 7.6882 k = 0.0500-0.0374-0.0252 ( 8869 PWs) bands (ev): -11.4283 -11.4283 -10.7417 -10.7417 -10.5885 -10.5885 -10.5853 -10.5853 -10.5685 -10.5685 -10.5660 -10.5660 -1.0978 -1.0978 -0.5842 -0.5842 -0.2578 -0.2578 -0.1209 -0.1209 -0.0924 -0.0924 0.0747 0.0747 0.3404 0.3404 0.6807 0.6807 0.8505 0.8505 0.9433 0.9433 1.0185 1.0185 1.0839 1.0839 1.1464 1.1464 2.3493 2.3493 2.3606 2.3606 2.4199 2.4199 2.9221 2.9221 2.9615 2.9615 3.0595 3.0595 3.1135 3.1135 3.1716 3.1716 3.2321 3.2321 3.2966 3.2966 3.3746 3.3746 4.2769 4.2769 4.3252 4.3252 4.3425 4.3425 4.4401 4.4401 7.7115 7.7115 k = 0.0667-0.0498-0.0336 ( 8865 PWs) bands (ev): -11.4244 -11.4244 -10.7404 -10.7404 -10.5942 -10.5942 -10.5886 -10.5886 -10.5681 -10.5681 -10.5640 -10.5640 -1.0922 -1.0922 -0.6094 -0.6094 -0.2530 -0.2530 -0.1271 -0.1271 -0.0764 -0.0764 0.0643 0.0643 0.3727 0.3727 0.6903 0.6903 0.8561 0.8561 0.9463 0.9463 1.0179 1.0179 1.0876 1.0876 1.1539 1.1539 2.3284 2.3284 2.3508 2.3508 2.4197 2.4197 2.8891 2.8891 2.9486 2.9486 3.0568 3.0568 3.1212 3.1212 3.1803 3.1803 3.2415 3.2415 3.2971 3.2971 3.3745 3.3745 4.2677 4.2677 4.3214 4.3214 4.3467 4.3467 4.4405 4.4405 7.7436 7.7436 k = 0.0833-0.0623-0.0420 ( 8864 PWs) bands (ev): -11.4195 -11.4195 -10.7388 -10.7388 -10.6008 -10.6008 -10.5920 -10.5920 -10.5682 -10.5682 -10.5621 -10.5621 -1.0851 -1.0851 -0.6364 -0.6364 -0.2525 -0.2525 -0.1344 -0.1344 -0.0617 -0.0617 0.0628 0.0628 0.4082 0.4082 0.7024 0.7024 0.8609 0.8609 0.9508 0.9508 1.0177 1.0177 1.0916 1.0916 1.1644 1.1644 2.3023 2.3023 2.3396 2.3396 2.4169 2.4169 2.8524 2.8524 2.9334 2.9334 3.0542 3.0542 3.1285 3.1285 3.1896 3.1896 3.2514 3.2514 3.2980 3.2980 3.3746 3.3746 4.2578 4.2578 4.3164 4.3164 4.3504 4.3504 4.4414 4.4414 7.7839 7.7839 k = 0.1000-0.0748-0.0504 ( 8858 PWs) bands (ev): -11.4135 -11.4135 -10.7368 -10.7368 -10.6083 -10.6083 -10.5955 -10.5955 -10.5688 -10.5688 -10.5605 -10.5605 -1.0765 -1.0765 -0.6641 -0.6641 -0.2561 -0.2561 -0.1421 -0.1421 -0.0552 -0.0552 0.0763 0.0763 0.4454 0.4454 0.7170 0.7170 0.8641 0.8641 0.9566 0.9566 1.0183 1.0183 1.0964 1.0964 1.1782 1.1782 2.2716 2.2716 2.3261 2.3261 2.4117 2.4117 2.8134 2.8134 2.9165 2.9165 3.0515 3.0515 3.1352 3.1352 3.1991 3.1991 3.2606 3.2606 3.2997 3.2997 3.3751 3.3751 4.2476 4.2476 4.3102 4.3102 4.3535 4.3535 4.4426 4.4426 7.8319 7.8319 k = 0.1167-0.0872-0.0588 ( 8856 PWs) bands (ev): -11.4065 -11.4065 -10.7345 -10.7345 -10.6168 -10.6168 -10.5990 -10.5990 -10.5699 -10.5699 -10.5592 -10.5592 -1.0664 -1.0664 -0.6914 -0.6914 -0.2631 -0.2631 -0.1496 -0.1496 -0.0581 -0.0581 0.1047 0.1047 0.4832 0.4832 0.7337 0.7337 0.8655 0.8655 0.9629 0.9629 1.0197 1.0197 1.1032 1.1032 1.1950 1.1950 2.2361 2.2361 2.3101 2.3101 2.4046 2.4046 2.7738 2.7738 2.8982 2.8982 3.0488 3.0488 3.1414 3.1414 3.2084 3.2084 3.2681 3.2681 3.3026 3.3026 3.3761 3.3761 4.2373 4.2373 4.3029 4.3029 4.3562 4.3562 4.4439 4.4439 7.8868 7.8868 k = 0.1333-0.0997-0.0672 ( 8847 PWs) bands (ev): -11.3984 -11.3984 -10.7319 -10.7319 -10.6262 -10.6262 -10.6026 -10.6026 -10.5715 -10.5715 -10.5581 -10.5581 -1.0550 -1.0550 -0.7179 -0.7179 -0.2727 -0.2727 -0.1562 -0.1562 -0.0660 -0.0660 0.1426 0.1426 0.5208 0.5208 0.7516 0.7516 0.8656 0.8656 0.9688 0.9688 1.0214 1.0214 1.1135 1.1135 1.2147 1.2147 2.1956 2.1956 2.2917 2.2917 2.3956 2.3956 2.7349 2.7349 2.8787 2.8787 3.0459 3.0459 3.1469 3.1469 3.2172 3.2172 3.2734 3.2734 3.3070 3.3070 3.3778 3.3778 4.2270 4.2270 4.2950 4.2950 4.3585 4.3585 4.4453 4.4453 7.9478 7.9478 k = 0.1500-0.1121-0.0756 ( 8849 PWs) bands (ev): -11.3893 -11.3893 -10.7289 -10.7289 -10.6365 -10.6365 -10.6061 -10.6061 -10.5734 -10.5734 -10.5574 -10.5574 -1.0424 -1.0424 -0.7431 -0.7431 -0.2844 -0.2844 -0.1616 -0.1616 -0.0754 -0.0754 0.1856 0.1856 0.5572 0.5572 0.7691 0.7691 0.8655 0.8655 0.9743 0.9743 1.0224 1.0224 1.1284 1.1284 1.2370 1.2370 2.1495 2.1495 2.2711 2.2711 2.3852 2.3852 2.6976 2.6976 2.8582 2.8582 3.0429 3.0429 3.1516 3.1516 3.2254 3.2254 3.2766 3.2766 3.3128 3.3128 3.3803 3.3803 4.2167 4.2167 4.2866 4.2866 4.3607 4.3607 4.4465 4.4465 8.0140 8.0140 k = 0.1667-0.1246-0.0840 ( 8850 PWs) bands (ev): -11.3791 -11.3791 -10.7256 -10.7256 -10.6477 -10.6477 -10.6096 -10.6096 -10.5758 -10.5758 -10.5570 -10.5570 -1.0288 -1.0288 -0.7666 -0.7666 -0.2977 -0.2977 -0.1653 -0.1653 -0.0844 -0.0844 0.2311 0.2311 0.5918 0.5918 0.7834 0.7834 0.8671 0.8671 0.9807 0.9807 1.0225 1.0225 1.1482 1.1482 1.2615 1.2615 2.0979 2.0979 2.2486 2.2486 2.3736 2.3736 2.6630 2.6630 2.8369 2.8369 3.0397 3.0397 3.1554 3.1554 3.2326 3.2326 3.2783 3.2783 3.3191 3.3191 3.3837 3.3837 4.2066 4.2066 4.2784 4.2784 4.3628 4.3628 4.4471 4.4471 8.0845 8.0845 k = 0.1833-0.1370-0.0924 ( 8835 PWs) bands (ev): -11.3680 -11.3680 -10.7221 -10.7221 -10.6599 -10.6599 -10.6130 -10.6130 -10.5784 -10.5784 -10.5569 -10.5569 -1.0145 -1.0145 -0.7881 -0.7881 -0.3123 -0.3123 -0.1670 -0.1670 -0.0921 -0.0921 0.2776 0.2776 0.6240 0.6240 0.7914 0.7914 0.8710 0.8710 0.9888 0.9888 1.0236 1.0236 1.1719 1.1719 1.2880 1.2880 2.0410 2.0410 2.2245 2.2245 2.3612 2.3612 2.6314 2.6314 2.8149 2.8149 3.0364 3.0364 3.1581 3.1581 3.2388 3.2388 3.2797 3.2797 3.3253 3.3253 3.3881 3.3881 4.1966 4.1966 4.2707 4.2707 4.3650 4.3650 4.4472 4.4472 8.1583 8.1583 k = 0.2000-0.1495-0.1009 ( 8825 PWs) bands (ev): -11.3560 -11.3560 -10.7182 -10.7182 -10.6729 -10.6729 -10.6163 -10.6163 -10.5813 -10.5813 -10.5572 -10.5572 -1.0002 -1.0002 -0.8067 -0.8067 -0.3277 -0.3277 -0.1666 -0.1666 -0.0978 -0.0978 0.3239 0.3239 0.6534 0.6534 0.7924 0.7924 0.8750 0.8750 0.9955 0.9955 1.0325 1.0325 1.1986 1.1986 1.3163 1.3163 1.9792 1.9792 2.1993 2.1993 2.3482 2.3482 2.6029 2.6029 2.7923 2.7923 3.0330 3.0330 3.1596 3.1596 3.2435 3.2435 3.2814 3.2814 3.3311 3.3311 3.3934 3.3934 4.1869 4.1869 4.2639 4.2639 4.3671 4.3671 4.4465 4.4465 8.2343 8.2343 k = 0.2167-0.1620-0.1093 ( 8827 PWs) bands (ev): -11.3430 -11.3430 -10.7141 -10.7141 -10.6867 -10.6867 -10.6195 -10.6195 -10.5844 -10.5844 -10.5578 -10.5578 -0.9869 -0.9869 -0.8217 -0.8217 -0.3437 -0.3437 -0.1641 -0.1641 -0.1014 -0.1014 0.3695 0.3695 0.6794 0.6794 0.7886 0.7886 0.8757 0.8757 0.9957 0.9957 1.0560 1.0560 1.2271 1.2271 1.3460 1.3460 1.9135 1.9135 2.1732 2.1732 2.3348 2.3348 2.5774 2.5774 2.7692 2.7692 3.0293 3.0293 3.1595 3.1595 3.2469 3.2469 3.2836 3.2836 3.3364 3.3364 3.3993 3.3993 4.1773 4.1773 4.2582 4.2582 4.3693 4.3693 4.4451 4.4451 8.3112 8.3112 k = 0.2333-0.1744-0.1177 ( 8821 PWs) bands (ev): -11.3292 -11.3292 -10.7098 -10.7098 -10.7014 -10.7014 -10.6225 -10.6225 -10.5877 -10.5877 -10.5588 -10.5588 -0.9762 -0.9762 -0.8313 -0.8313 -0.3599 -0.3599 -0.1593 -0.1593 -0.1025 -0.1025 0.4136 0.4136 0.7008 0.7008 0.7834 0.7834 0.8716 0.8716 0.9921 0.9921 1.0907 1.0907 1.2568 1.2568 1.3769 1.3769 1.8447 1.8447 2.1467 2.1467 2.3216 2.3216 2.5546 2.5546 2.7457 2.7457 3.0255 3.0255 3.1580 3.1580 3.2489 3.2489 3.2867 3.2867 3.3414 3.3414 3.4057 3.4057 4.1680 4.1680 4.2540 4.2540 4.3714 4.3714 4.4430 4.4430 8.3875 8.3875 k = 0.2500-0.1869-0.1261 ( 8821 PWs) bands (ev): -11.3144 -11.3144 -10.7172 -10.7172 -10.7049 -10.7049 -10.6254 -10.6254 -10.5911 -10.5911 -10.5602 -10.5602 -0.9700 -0.9700 -0.8338 -0.8338 -0.3762 -0.3762 -0.1525 -0.1525 -0.1009 -0.1009 0.4556 0.4556 0.7146 0.7146 0.7813 0.7813 0.8636 0.8636 0.9873 0.9873 1.1317 1.1317 1.2870 1.2870 1.4087 1.4087 1.7744 1.7744 2.1200 2.1200 2.3087 2.3087 2.5339 2.5339 2.7222 2.7222 3.0215 3.0215 3.1549 3.1549 3.2501 3.2501 3.2902 3.2902 3.3459 3.3459 3.4124 3.4124 4.1590 4.1590 4.2512 4.2512 4.3735 4.3735 4.4401 4.4401 8.4612 8.4612 k = 0.2667-0.1993-0.1345 ( 8823 PWs) bands (ev): -11.2989 -11.2989 -10.7335 -10.7335 -10.7002 -10.7002 -10.6281 -10.6281 -10.5947 -10.5947 -10.5618 -10.5618 -0.9696 -0.9696 -0.8281 -0.8281 -0.3923 -0.3923 -0.1442 -0.1442 -0.0962 -0.0962 0.4951 0.4951 0.7166 0.7166 0.7867 0.7867 0.8532 0.8532 0.9822 0.9822 1.1754 1.1754 1.3172 1.3172 1.4406 1.4406 1.7043 1.7043 2.0936 2.0936 2.2965 2.2965 2.5147 2.5147 2.6988 2.6988 3.0174 3.0174 3.1502 3.1502 3.2506 3.2506 3.2940 3.2940 3.3502 3.3502 3.4192 3.4192 4.1503 4.1503 4.2501 4.2501 4.3754 4.3754 4.4366 4.4366 8.5291 8.5291 k = 0.2833-0.2118-0.1429 ( 8818 PWs) bands (ev): -11.2826 -11.2826 -10.7505 -10.7505 -10.6952 -10.6952 -10.6306 -10.6306 -10.5982 -10.5982 -10.5639 -10.5639 -0.9742 -0.9742 -0.8149 -0.8149 -0.4079 -0.4079 -0.1350 -0.1350 -0.0881 -0.0881 0.5313 0.5313 0.7084 0.7084 0.7968 0.7968 0.8432 0.8432 0.9774 0.9774 1.2187 1.2187 1.3470 1.3470 1.4706 1.4706 1.6382 1.6382 2.0678 2.0678 2.2852 2.2852 2.4966 2.4966 2.6760 2.6760 3.0132 3.0132 3.1442 3.1442 3.2509 3.2509 3.2979 3.2979 3.3543 3.3543 3.4259 3.4259 4.1420 4.1420 4.2504 4.2504 4.3770 4.3770 4.4327 4.4327 8.5860 8.5860 k = 0.3000-0.2243-0.1513 ( 8821 PWs) bands (ev): -11.2655 -11.2655 -10.7683 -10.7683 -10.6900 -10.6900 -10.6329 -10.6329 -10.6018 -10.6018 -10.5662 -10.5662 -0.9822 -0.9822 -0.7961 -0.7961 -0.4230 -0.4230 -0.1254 -0.1254 -0.0761 -0.0761 0.5636 0.5636 0.6946 0.6946 0.8016 0.8016 0.8407 0.8407 0.9731 0.9731 1.2580 1.2580 1.3755 1.3755 1.4899 1.4899 1.5881 1.5881 2.0431 2.0431 2.2748 2.2748 2.4788 2.4788 2.6540 2.6540 3.0091 3.0091 3.1369 3.1369 3.2511 3.2511 3.3015 3.3015 3.3583 3.3583 3.4325 3.4325 4.1343 4.1343 4.2521 4.2521 4.3782 4.3782 4.4285 4.4285 8.6240 8.6240 k = 0.3167-0.2367-0.1597 ( 8821 PWs) bands (ev): -11.2478 -11.2478 -10.7868 -10.7868 -10.6847 -10.6847 -10.6349 -10.6349 -10.6054 -10.6054 -10.5689 -10.5689 -0.9919 -0.9919 -0.7737 -0.7737 -0.4372 -0.4372 -0.1158 -0.1158 -0.0603 -0.0603 0.5910 0.5910 0.6779 0.6779 0.7953 0.7953 0.8499 0.8499 0.9696 0.9696 1.2879 1.2879 1.3968 1.3968 1.4801 1.4801 1.5828 1.5828 2.0201 2.0201 2.2655 2.2655 2.4609 2.4609 2.6333 2.6333 3.0051 3.0051 3.1285 3.1285 3.2512 3.2512 3.3049 3.3049 3.3620 3.3620 3.4387 3.4387 4.1271 4.1271 4.2548 4.2548 4.3789 4.3789 4.4244 4.4244 8.6372 8.6372 k = 0.3333-0.2492-0.1681 ( 8817 PWs) bands (ev): -11.2294 -11.2294 -10.8059 -10.8059 -10.6792 -10.6792 -10.6367 -10.6367 -10.6089 -10.6089 -10.5719 -10.5719 -1.0021 -1.0021 -0.7492 -0.7492 -0.4505 -0.4505 -0.1061 -0.1061 -0.0412 -0.0412 0.6115 0.6115 0.6602 0.6602 0.7859 0.7859 0.8631 0.8631 0.9674 0.9674 1.2968 1.2968 1.3945 1.3945 1.4813 1.4813 1.6093 1.6093 1.9994 1.9994 2.2571 2.2571 2.4425 2.4425 2.6143 2.6143 3.0013 3.0013 3.1193 3.1193 3.2514 3.2514 3.3079 3.3079 3.3655 3.3655 3.4447 3.4447 4.1207 4.1207 4.2584 4.2584 4.3789 4.3789 4.4205 4.4205 8.6288 8.6288 k = 0.3500-0.2616-0.1765 ( 8819 PWs) bands (ev): -11.2103 -11.2103 -10.8255 -10.8255 -10.6737 -10.6737 -10.6382 -10.6382 -10.6122 -10.6122 -10.5753 -10.5753 -1.0121 -1.0121 -0.7235 -0.7235 -0.4626 -0.4626 -0.0963 -0.0963 -0.0196 -0.0196 0.6212 0.6212 0.6449 0.6449 0.7790 0.7790 0.8745 0.8745 0.9675 0.9675 1.2703 1.2703 1.3902 1.3902 1.5098 1.5098 1.6436 1.6436 1.9817 1.9817 2.2494 2.2494 2.4231 2.4231 2.5973 2.5973 2.9978 2.9978 3.1093 3.1093 3.2515 3.2515 3.3106 3.3106 3.3689 3.3689 3.4502 3.4502 4.1149 4.1149 4.2626 4.2626 4.3782 4.3782 4.4172 4.4172 8.6077 8.6077 k = 0.3667-0.2741-0.1849 ( 8818 PWs) bands (ev): -11.1908 -11.1908 -10.8456 -10.8456 -10.6681 -10.6681 -10.6394 -10.6394 -10.6155 -10.6155 -10.5788 -10.5788 -1.0216 -1.0216 -0.6975 -0.6975 -0.4736 -0.4736 -0.0864 -0.0864 0.0040 0.0040 0.6122 0.6122 0.6396 0.6396 0.7767 0.7767 0.8812 0.8812 0.9713 0.9713 1.2227 1.2227 1.3954 1.3954 1.5459 1.5459 1.6794 1.6794 1.9676 1.9676 2.2423 2.2423 2.4030 2.4030 2.5825 2.5825 2.9949 2.9949 3.0989 3.0989 3.2517 3.2517 3.3129 3.3129 3.3719 3.3719 3.4552 3.4552 4.1100 4.1100 4.2668 4.2668 4.3768 4.3768 4.4145 4.4145 8.5811 8.5811 k = 0.3833-0.2865-0.1933 ( 8809 PWs) bands (ev): -11.1707 -11.1707 -10.8662 -10.8662 -10.6626 -10.6626 -10.6403 -10.6403 -10.6185 -10.6185 -10.5827 -10.5827 -1.0304 -1.0304 -0.6721 -0.6721 -0.4831 -0.4831 -0.0765 -0.0765 0.0286 0.0286 0.5950 0.5950 0.6359 0.6359 0.7781 0.7781 0.8816 0.8816 0.9790 0.9790 1.1727 1.1727 1.4008 1.4008 1.5831 1.5831 1.7141 1.7141 1.9580 1.9580 2.2355 2.2355 2.3822 2.3822 2.5697 2.5697 2.9926 2.9926 3.0882 3.0882 3.2520 3.2520 3.3149 3.3149 3.3747 3.3747 3.4598 3.4598 4.1058 4.1058 4.2708 4.2708 4.3753 4.3753 4.4123 4.4123 8.5532 8.5532 k = 0.4000-0.2990-0.2017 ( 8805 PWs) bands (ev): -11.1503 -11.1503 -10.8871 -10.8871 -10.6571 -10.6571 -10.6409 -10.6409 -10.6213 -10.6213 -10.5867 -10.5867 -1.0382 -1.0382 -0.6480 -0.6480 -0.4910 -0.4910 -0.0668 -0.0668 0.0532 0.0532 0.5779 0.5779 0.6289 0.6289 0.7796 0.7796 0.8767 0.8767 0.9892 0.9892 1.1281 1.1281 1.4033 1.4033 1.6192 1.6192 1.7454 1.7454 1.9535 1.9535 2.2287 2.2287 2.3612 2.3612 2.5590 2.5590 2.9911 2.9911 3.0774 3.0774 3.2522 3.2522 3.3166 3.3166 3.3772 3.3772 3.4638 3.4638 4.1024 4.1024 4.2743 4.2743 4.3739 4.3739 4.4106 4.4106 8.5262 8.5262 k = 0.4167-0.3115-0.2101 ( 8803 PWs) bands (ev): -11.1295 -11.1295 -10.9083 -10.9083 -10.6519 -10.6519 -10.6411 -10.6411 -10.6239 -10.6239 -10.5909 -10.5909 -1.0449 -1.0449 -0.6263 -0.6263 -0.4972 -0.4972 -0.0575 -0.0575 0.0769 0.0769 0.5635 0.5635 0.6201 0.6201 0.7766 0.7766 0.8697 0.8697 0.9993 0.9993 1.0933 1.0933 1.4028 1.4028 1.6531 1.6531 1.7710 1.7710 1.9548 1.9548 2.2220 2.2220 2.3408 2.3408 2.5502 2.5502 2.9906 2.9906 3.0669 3.0669 3.2524 3.2524 3.3180 3.3180 3.3793 3.3793 3.4673 3.4673 4.0997 4.0997 4.2768 4.2768 4.3732 4.3732 4.4090 4.4090 8.5016 8.5016 k = 0.4333-0.3239-0.2185 ( 8805 PWs) bands (ev): -11.1084 -11.1084 -10.9297 -10.9297 -10.6475 -10.6475 -10.6404 -10.6404 -10.6261 -10.6261 -10.5952 -10.5952 -1.0505 -1.0505 -0.6077 -0.6077 -0.5014 -0.5014 -0.0490 -0.0490 0.0983 0.0983 0.5531 0.5531 0.6111 0.6111 0.7649 0.7649 0.8649 0.8649 1.0058 1.0058 1.0713 1.0713 1.4000 1.4000 1.6841 1.6841 1.7891 1.7891 1.9618 1.9618 2.2152 2.2152 2.3218 2.3218 2.5431 2.5431 2.9910 2.9910 3.0568 3.0568 3.2526 3.2526 3.3191 3.3191 3.3811 3.3811 3.4702 3.4702 4.0976 4.0976 4.2785 4.2785 4.3732 4.3732 4.4074 4.4074 8.4804 8.4804 k = 0.4500-0.3364-0.2269 ( 8802 PWs) bands (ev): -11.0872 -11.0872 -10.9512 -10.9512 -10.6449 -10.6449 -10.6381 -10.6381 -10.6279 -10.6279 -10.5995 -10.5995 -1.0549 -1.0549 -0.5932 -0.5932 -0.5037 -0.5037 -0.0419 -0.0419 0.1163 0.1163 0.5477 0.5477 0.6029 0.6029 0.7453 0.7453 0.8640 0.8640 1.0056 1.0056 1.0632 1.0632 1.3960 1.3960 1.7115 1.7115 1.7991 1.7991 1.9729 1.9729 2.2088 2.2088 2.3051 2.3051 2.5376 2.5376 2.9924 2.9924 3.0476 3.0476 3.2528 3.2528 3.3199 3.3199 3.3825 3.3825 3.4724 3.4724 4.0961 4.0961 4.2793 4.2793 4.3739 4.3739 4.4059 4.4059 8.4633 8.4633 k = 0.4667-0.3488-0.2353 ( 8813 PWs) bands (ev): -11.0662 -11.0662 -10.9724 -10.9724 -10.6440 -10.6440 -10.6347 -10.6347 -10.6291 -10.6291 -10.6034 -10.6034 -1.0580 -1.0580 -0.5832 -0.5832 -0.5044 -0.5044 -0.0363 -0.0363 0.1298 0.1298 0.5472 0.5472 0.5962 0.5962 0.7233 0.7233 0.8653 0.8653 1.0013 1.0013 1.0639 1.0639 1.3920 1.3920 1.7343 1.7343 1.8022 1.8022 1.9849 1.9849 2.2032 2.2032 2.2920 2.2920 2.5337 2.5337 2.9943 2.9943 3.0397 3.0397 3.2529 3.2529 3.3205 3.3205 3.3834 3.3834 3.4740 3.4740 4.0952 4.0952 4.2796 4.2796 4.3750 4.3750 4.4045 4.4045 8.4508 8.4508 k = 0.4833-0.3613-0.2437 ( 8824 PWs) bands (ev): -11.0465 -11.0465 -10.9922 -10.9922 -10.6436 -10.6436 -10.6324 -10.6324 -10.6292 -10.6292 -10.6065 -10.6065 -1.0599 -1.0599 -0.5775 -0.5775 -0.5042 -0.5042 -0.0328 -0.0328 0.1381 0.1381 0.5495 0.5495 0.5915 0.5915 0.7059 0.7059 0.8668 0.8668 0.9975 0.9975 1.0665 1.0665 1.3891 1.3891 1.7508 1.7508 1.8010 1.8010 1.9940 1.9940 2.1992 2.1992 2.2835 2.2835 2.5314 2.5314 2.9962 2.9962 3.0342 3.0342 3.2530 3.2530 3.3208 3.3208 3.3840 3.3840 3.4750 3.4750 4.0946 4.0946 4.2796 4.2796 4.3760 4.3760 4.4035 4.4035 8.4431 8.4431 k = 0.5000-0.3738-0.2521 ( 8828 PWs) bands (ev): -11.0351 -11.0351 -11.0036 -11.0036 -10.6435 -10.6435 -10.6320 -10.6320 -10.6287 -10.6287 -10.6077 -10.6077 -1.0606 -1.0606 -0.5757 -0.5757 -0.5040 -0.5040 -0.0316 -0.0316 0.1409 0.1409 0.5511 0.5511 0.5898 0.5898 0.6992 0.6992 0.8675 0.8675 0.9960 0.9960 1.0677 1.0677 1.3880 1.3880 1.7573 1.7573 1.7995 1.7995 1.9974 1.9974 2.1978 2.1978 2.2805 2.2805 2.5306 2.5306 2.9971 2.9971 3.0322 3.0322 3.2530 3.2530 3.3209 3.3209 3.3842 3.3842 3.4753 3.4753 4.0944 4.0944 4.2795 4.2795 4.3763 4.3763 4.4031 4.4031 8.4405 8.4405 k = 0.5000-0.3738-0.2521 ( 8828 PWs) bands (ev): -11.0351 -11.0351 -11.0036 -11.0036 -10.6435 -10.6435 -10.6320 -10.6320 -10.6287 -10.6287 -10.6077 -10.6077 -1.0606 -1.0606 -0.5757 -0.5757 -0.5040 -0.5040 -0.0316 -0.0316 0.1409 0.1409 0.5511 0.5511 0.5898 0.5898 0.6992 0.6992 0.8675 0.8675 0.9960 0.9960 1.0677 1.0677 1.3880 1.3880 1.7573 1.7573 1.7995 1.7995 1.9974 1.9974 2.1978 2.1978 2.2805 2.2805 2.5306 2.5306 2.9971 2.9971 3.0322 3.0322 3.2530 3.2530 3.3209 3.3209 3.3842 3.3842 3.4753 3.4753 4.0944 4.0944 4.2795 4.2795 4.3763 4.3763 4.4031 4.4031 8.4405 8.4405 k = 0.5000-0.3614-0.2704 ( 8824 PWs) bands (ev): -11.0348 -11.0348 -11.0033 -11.0033 -10.6445 -10.6445 -10.6324 -10.6324 -10.6282 -10.6282 -10.6076 -10.6076 -1.0591 -1.0591 -0.5757 -0.5757 -0.5033 -0.5033 -0.0322 -0.0322 0.1403 0.1403 0.5490 0.5490 0.5900 0.5900 0.6978 0.6978 0.8664 0.8664 0.9925 0.9925 1.0740 1.0740 1.3900 1.3900 1.7567 1.7567 1.7991 1.7991 1.9980 1.9980 2.1967 2.1967 2.2810 2.2810 2.5293 2.5293 2.9975 2.9975 3.0332 3.0332 3.2529 3.2529 3.3208 3.3208 3.3837 3.3837 3.4751 3.4751 4.0951 4.0951 4.2800 4.2800 4.3757 4.3757 4.4038 4.4038 8.4414 8.4414 k = 0.5000-0.3491-0.2888 ( 8816 PWs) bands (ev): -11.0337 -11.0337 -11.0023 -11.0023 -10.6474 -10.6474 -10.6330 -10.6330 -10.6272 -10.6272 -10.6074 -10.6074 -1.0546 -1.0546 -0.5757 -0.5757 -0.5010 -0.5010 -0.0339 -0.0339 0.1384 0.1384 0.5432 0.5432 0.5901 0.5901 0.6938 0.6938 0.8637 0.8637 0.9844 0.9844 1.0900 1.0900 1.3957 1.3957 1.7542 1.7542 1.7987 1.7987 1.9996 1.9996 2.1936 2.1936 2.2823 2.2823 2.5254 2.5254 2.9987 2.9987 3.0360 3.0360 3.2528 3.2528 3.3206 3.3206 3.3822 3.3822 3.4746 3.4746 4.0970 4.0970 4.2814 4.2814 4.3739 4.3739 4.4055 4.4055 8.4438 8.4438 k = 0.5000-0.3367-0.3071 ( 8814 PWs) bands (ev): -11.0319 -11.0319 -11.0007 -11.0007 -10.6519 -10.6519 -10.6338 -10.6338 -10.6263 -10.6263 -10.6069 -10.6069 -1.0471 -1.0471 -0.5759 -0.5759 -0.4972 -0.4972 -0.0368 -0.0368 0.1356 0.1356 0.5347 0.5347 0.5890 0.5890 0.6874 0.6874 0.8603 0.8603 0.9755 0.9755 1.1116 1.1116 1.4042 1.4042 1.7490 1.7490 1.7998 1.7998 2.0021 2.0021 2.1886 2.1886 2.2842 2.2842 2.5191 2.5191 3.0008 3.0008 3.0405 3.0405 3.2526 3.2526 3.3202 3.3202 3.3797 3.3797 3.4737 3.4737 4.1002 4.1002 4.2838 4.2838 4.3714 4.3714 4.4079 4.4079 8.4479 8.4479 k = 0.5000-0.3243-0.3254 ( 8816 PWs) bands (ev): -11.0293 -11.0293 -10.9985 -10.9985 -10.6578 -10.6578 -10.6349 -10.6349 -10.6255 -10.6255 -10.6063 -10.6063 -1.0368 -1.0368 -0.5763 -0.5763 -0.4917 -0.4917 -0.0411 -0.0411 0.1320 0.1320 0.5242 0.5242 0.5859 0.5859 0.6789 0.6789 0.8571 0.8571 0.9675 0.9675 1.1361 1.1361 1.4145 1.4145 1.7403 1.7403 1.8037 1.8037 2.0054 2.0054 2.1820 2.1820 2.2864 2.2864 2.5105 2.5105 3.0037 3.0037 3.0464 3.0464 3.2523 3.2523 3.3193 3.3193 3.3766 3.3766 3.4723 3.4723 4.1043 4.1043 4.2872 4.2872 4.3684 4.3684 4.4106 4.4106 8.4536 8.4536 k = 0.5000-0.3120-0.3437 ( 8812 PWs) bands (ev): -11.0261 -11.0261 -10.9956 -10.9956 -10.6647 -10.6647 -10.6365 -10.6365 -10.6246 -10.6246 -10.6055 -10.6055 -1.0238 -1.0238 -0.5773 -0.5773 -0.4845 -0.4845 -0.0469 -0.0469 0.1280 0.1280 0.5125 0.5125 0.5802 0.5802 0.6693 0.6693 0.8550 0.8550 0.9613 0.9613 1.1619 1.1619 1.4254 1.4254 1.7285 1.7285 1.8107 1.8107 2.0092 2.0092 2.1741 2.1741 2.2885 2.2885 2.5000 2.5000 3.0074 3.0074 3.0533 3.0533 3.2520 3.2520 3.3178 3.3178 3.3732 3.3732 3.4705 3.4705 4.1092 4.1092 4.2915 4.2915 4.3652 4.3652 4.4136 4.4136 8.4607 8.4607 k = 0.5000-0.2996-0.3620 ( 8820 PWs) bands (ev): -11.0222 -11.0222 -10.9921 -10.9921 -10.6728 -10.6728 -10.6389 -10.6389 -10.6236 -10.6236 -10.6046 -10.6046 -1.0081 -1.0081 -0.5789 -0.5789 -0.4754 -0.4754 -0.0543 -0.0543 0.1239 0.1239 0.4998 0.4998 0.5715 0.5715 0.6594 0.6594 0.8543 0.8543 0.9574 0.9574 1.1879 1.1879 1.4357 1.4357 1.7146 1.7146 1.8207 1.8207 2.0134 2.0134 2.1650 2.1650 2.2902 2.2902 2.4878 2.4878 3.0119 3.0119 3.0609 3.0609 3.2516 3.2516 3.3154 3.3154 3.3697 3.3697 3.4682 3.4682 4.1146 4.1146 4.2967 4.2967 4.3619 4.3619 4.4166 4.4166 8.4693 8.4693 k = 0.5000-0.2873-0.3803 ( 8822 PWs) bands (ev): -11.0175 -11.0175 -10.9880 -10.9880 -10.6818 -10.6818 -10.6422 -10.6422 -10.6224 -10.6224 -10.6034 -10.6034 -0.9901 -0.9901 -0.5812 -0.5812 -0.4645 -0.4645 -0.0632 -0.0632 0.1200 0.1200 0.4864 0.4864 0.5601 0.5601 0.6499 0.6499 0.8549 0.8549 0.9557 0.9557 1.2130 1.2130 1.4446 1.4446 1.6996 1.6996 1.8332 1.8332 2.0177 2.0177 2.1553 2.1553 2.2913 2.2913 2.4743 2.4743 3.0171 3.0171 3.0689 3.0689 3.2511 3.2511 3.3118 3.3118 3.3668 3.3668 3.4656 3.4656 4.1203 4.1203 4.3025 4.3025 4.3588 4.3588 4.4196 4.4196 8.4792 8.4792 k = 0.5000-0.2749-0.3986 ( 8820 PWs) bands (ev): -11.0122 -11.0122 -10.9833 -10.9833 -10.6917 -10.6917 -10.6463 -10.6463 -10.6209 -10.6209 -10.6021 -10.6021 -0.9699 -0.9699 -0.5843 -0.5843 -0.4519 -0.4519 -0.0734 -0.0734 0.1164 0.1164 0.4726 0.4726 0.5467 0.5467 0.6412 0.6412 0.8569 0.8569 0.9562 0.9562 1.2360 1.2360 1.4518 1.4518 1.6842 1.6842 1.8476 1.8476 2.0220 2.0220 2.1453 2.1453 2.2914 2.2914 2.4599 2.4599 3.0229 3.0229 3.0771 3.0771 3.2503 3.2503 3.3068 3.3068 3.3647 3.3647 3.4628 3.4628 4.1260 4.1260 4.3085 4.3085 4.3561 4.3561 4.4225 4.4225 8.4902 8.4902 k = 0.5000-0.2626-0.4169 ( 8820 PWs) bands (ev): -11.0063 -11.0063 -10.9780 -10.9780 -10.7025 -10.7025 -10.6513 -10.6513 -10.6192 -10.6192 -10.6006 -10.6006 -0.9479 -0.9479 -0.5882 -0.5882 -0.4377 -0.4377 -0.0848 -0.0848 0.1131 0.1131 0.4584 0.4584 0.5325 0.5325 0.6335 0.6335 0.8600 0.8600 0.9585 0.9585 1.2559 1.2559 1.4574 1.4574 1.6693 1.6693 1.8634 1.8634 2.0258 2.0258 2.1356 2.1356 2.2905 2.2905 2.4449 2.4449 3.0290 3.0290 3.0853 3.0853 3.2491 3.2491 3.3004 3.3004 3.3636 3.3636 3.4599 3.4599 4.1315 4.1315 4.3141 4.3141 4.3544 4.3544 4.4252 4.4252 8.5024 8.5024 k = 0.5000-0.2502-0.4352 ( 8818 PWs) bands (ev): -10.9997 -10.9997 -10.9722 -10.9722 -10.7142 -10.7142 -10.6571 -10.6571 -10.6172 -10.6172 -10.5990 -10.5990 -0.9244 -0.9244 -0.5929 -0.5929 -0.4221 -0.4221 -0.0969 -0.0969 0.1100 0.1100 0.4438 0.4438 0.5186 0.5186 0.6269 0.6269 0.8641 0.8641 0.9623 0.9623 1.2717 1.2717 1.4617 1.4617 1.6554 1.6554 1.8796 1.8796 2.0286 2.0286 2.1271 2.1271 2.2883 2.2883 2.4296 2.4296 3.0352 3.0352 3.0933 3.0933 3.2473 3.2473 3.2927 3.2927 3.3638 3.3638 3.4571 3.4571 4.1366 4.1366 4.3179 4.3179 4.3544 4.3544 4.4278 4.4278 8.5153 8.5153 k = 0.5000-0.2379-0.4535 ( 8814 PWs) bands (ev): -10.9925 -10.9925 -10.9658 -10.9658 -10.7266 -10.7266 -10.6637 -10.6637 -10.6150 -10.6150 -10.5972 -10.5972 -0.9000 -0.9000 -0.5981 -0.5981 -0.4052 -0.4052 -0.1091 -0.1091 0.1069 0.1069 0.4288 0.4288 0.5061 0.5061 0.6214 0.6214 0.8691 0.8691 0.9672 0.9672 1.2822 1.2822 1.4653 1.4653 1.6431 1.6431 1.8954 1.8954 2.0296 2.0296 2.1204 2.1204 2.2849 2.2849 2.4145 2.4145 3.0415 3.0415 3.1009 3.1009 3.2447 3.2447 3.2842 3.2842 3.3650 3.3650 3.4546 3.4546 4.1414 4.1414 4.3189 4.3189 4.3568 4.3568 4.4304 4.4304 8.5290 8.5290 k = 0.5000-0.2255-0.4718 ( 8814 PWs) bands (ev): -10.9847 -10.9847 -10.9589 -10.9589 -10.7397 -10.7397 -10.6710 -10.6710 -10.6127 -10.6127 -10.5952 -10.5952 -0.8752 -0.8752 -0.6038 -0.6038 -0.3875 -0.3875 -0.1209 -0.1209 0.1036 0.1036 0.4137 0.4137 0.4958 0.4958 0.6171 0.6171 0.8747 0.8747 0.9728 0.9728 1.2869 1.2869 1.4688 1.4688 1.6326 1.6326 1.9096 1.9096 2.0284 2.0284 2.1164 2.1164 2.2803 2.2803 2.3998 2.3998 3.0477 3.0477 3.1080 3.1080 3.2410 3.2410 3.2756 3.2756 3.3672 3.3672 3.4526 3.4526 4.1456 4.1456 4.3168 4.3168 4.3614 4.3614 4.4330 4.4330 8.5432 8.5432 k = 0.5000-0.2132-0.4902 ( 8804 PWs) bands (ev): -10.9763 -10.9763 -10.9515 -10.9515 -10.7534 -10.7534 -10.6790 -10.6790 -10.6102 -10.6102 -10.5932 -10.5932 -0.8507 -0.8507 -0.6094 -0.6094 -0.3691 -0.3691 -0.1315 -0.1315 0.1000 0.1000 0.3987 0.3987 0.4881 0.4881 0.6142 0.6142 0.8806 0.8806 0.9789 0.9789 1.2857 1.2857 1.4723 1.4723 1.6240 1.6240 1.9212 1.9212 2.0251 2.0251 2.1149 2.1149 2.2749 2.2749 2.3858 2.3858 3.0538 3.0538 3.1142 3.1142 3.2359 3.2359 3.2677 3.2677 3.3702 3.3702 3.4512 3.4512 4.1493 4.1493 4.3125 4.3125 4.3667 4.3667 4.4357 4.4357 8.5577 8.5577 k = 0.5000-0.2008-0.5085 ( 8804 PWs) bands (ev): -10.9674 -10.9674 -10.9437 -10.9437 -10.7678 -10.7678 -10.6876 -10.6876 -10.6075 -10.6075 -10.5910 -10.5910 -0.8276 -0.8276 -0.6146 -0.6146 -0.3506 -0.3506 -0.1403 -0.1403 0.0958 0.0958 0.3843 0.3843 0.4830 0.4830 0.6127 0.6127 0.8868 0.8868 0.9851 0.9851 1.2794 1.2794 1.4754 1.4754 1.6173 1.6173 1.9290 1.9290 2.0209 2.0209 2.1151 2.1151 2.2688 2.2688 2.3728 2.3728 3.0597 3.0597 3.1193 3.1193 3.2291 3.2291 3.2616 3.2616 3.3737 3.3737 3.4505 3.4505 4.1525 4.1525 4.3064 4.3064 4.3718 4.3718 4.4385 4.4385 8.5724 8.5724 k = 0.5000-0.1885-0.5268 ( 8816 PWs) bands (ev): -10.9579 -10.9579 -10.9355 -10.9355 -10.7826 -10.7826 -10.6968 -10.6968 -10.6047 -10.6047 -10.5887 -10.5887 -0.8070 -0.8070 -0.6186 -0.6186 -0.3323 -0.3323 -0.1464 -0.1464 0.0909 0.0909 0.3709 0.3709 0.4806 0.4806 0.6129 0.6129 0.8930 0.8930 0.9912 0.9912 1.2688 1.2688 1.4775 1.4775 1.6122 1.6122 1.9320 1.9320 2.0167 2.0167 2.1160 2.1160 2.2627 2.2627 2.3610 2.3610 3.0654 3.0654 3.1229 3.1229 3.2210 3.2210 3.2578 3.2578 3.3776 3.3776 3.4505 3.4505 4.1552 4.1552 4.2989 4.2989 4.3760 4.3760 4.4415 4.4415 8.5870 8.5870 k = 0.5000-0.1761-0.5451 ( 8828 PWs) bands (ev): -10.9480 -10.9480 -10.9269 -10.9269 -10.7978 -10.7978 -10.7065 -10.7065 -10.6018 -10.6018 -10.5864 -10.5864 -0.7902 -0.7902 -0.6205 -0.6205 -0.3151 -0.3151 -0.1489 -0.1489 0.0854 0.0854 0.3588 0.3588 0.4805 0.4805 0.6150 0.6150 0.8990 0.8990 0.9972 0.9972 1.2552 1.2552 1.4779 1.4779 1.6082 1.6082 1.9299 1.9299 2.0132 2.0132 2.1168 2.1168 2.2567 2.2567 2.3504 2.3504 3.0710 3.0710 3.1248 3.1248 3.2120 3.2120 3.2565 3.2565 3.3816 3.3816 3.4511 3.4511 4.1572 4.1572 4.2901 4.2901 4.3790 4.3790 4.4445 4.4445 8.6014 8.6014 k = 0.5000-0.1638-0.5634 ( 8828 PWs) bands (ev): -10.9377 -10.9377 -10.9181 -10.9181 -10.8132 -10.8132 -10.7167 -10.7167 -10.5988 -10.5988 -10.5839 -10.5839 -0.7784 -0.7784 -0.6196 -0.6196 -0.2994 -0.2994 -0.1469 -0.1469 0.0792 0.0792 0.3482 0.3482 0.4826 0.4826 0.6190 0.6190 0.9046 0.9046 1.0031 1.0031 1.2397 1.2397 1.4761 1.4761 1.6049 1.6049 1.9229 1.9229 2.0101 2.0101 2.1173 2.1173 2.2510 2.2510 2.3410 2.3410 3.0765 3.0765 3.1250 3.1250 3.2032 3.2032 3.2575 3.2575 3.3855 3.3855 3.4524 3.4524 4.1586 4.1586 4.2803 4.2803 4.3807 4.3807 4.4472 4.4472 8.6156 8.6156 k = 0.5000-0.1514-0.5817 ( 8820 PWs) bands (ev): -10.9270 -10.9270 -10.9093 -10.9093 -10.8286 -10.8286 -10.7273 -10.7273 -10.5957 -10.5957 -10.5814 -10.5814 -0.7723 -0.7723 -0.6157 -0.6157 -0.2858 -0.2858 -0.1398 -0.1398 0.0727 0.0727 0.3394 0.3394 0.4864 0.4864 0.6252 0.6252 0.9095 0.9095 1.0090 1.0090 1.2231 1.2231 1.4717 1.4717 1.6017 1.6017 1.9117 1.9117 2.0069 2.0069 2.1176 2.1176 2.2456 2.2456 2.3327 2.3327 3.0819 3.0819 3.1239 3.1239 3.1950 3.1950 3.2605 3.2605 3.3892 3.3892 3.4542 3.4542 4.1593 4.1593 4.2694 4.2694 4.3813 4.3813 4.4495 4.4495 8.6296 8.6296 k = 0.5000-0.1391-0.6000 ( 8824 PWs) bands (ev): -10.9160 -10.9160 -10.9010 -10.9010 -10.8433 -10.8433 -10.7382 -10.7382 -10.5926 -10.5926 -10.5789 -10.5789 -0.7713 -0.7713 -0.6097 -0.6097 -0.2741 -0.2741 -0.1276 -0.1276 0.0660 0.0660 0.3322 0.3322 0.4916 0.4916 0.6334 0.6334 0.9135 0.9135 1.0151 1.0151 1.2063 1.2063 1.4641 1.4641 1.5984 1.5984 1.8968 1.8968 2.0033 2.0033 2.1179 2.1179 2.2400 2.2400 2.3253 2.3253 3.0869 3.0869 3.1220 3.1220 3.1880 3.1880 3.2651 3.2651 3.3926 3.3926 3.4563 3.4563 4.1590 4.1590 4.2579 4.2579 4.3808 4.3808 4.4510 4.4510 8.6434 8.6434 k = 0.5000-0.1267-0.6183 ( 8830 PWs) bands (ev): -10.9053 -10.9053 -10.8946 -10.8946 -10.8555 -10.8555 -10.7494 -10.7494 -10.5894 -10.5894 -10.5763 -10.5763 -0.7744 -0.7744 -0.6027 -0.6027 -0.2639 -0.2639 -0.1112 -0.1112 0.0595 0.0595 0.3266 0.3266 0.4979 0.4979 0.6438 0.6438 0.9161 0.9161 1.0219 1.0219 1.1899 1.1899 1.4532 1.4532 1.5947 1.5947 1.8782 1.8782 1.9998 1.9998 2.1186 2.1186 2.2341 2.2341 2.3187 2.3187 3.0912 3.0912 3.1199 3.1199 3.1827 3.1827 3.2709 3.2709 3.3956 3.3956 3.4588 3.4588 4.1575 4.1575 4.2460 4.2460 4.3793 4.3793 4.4517 4.4517 8.6573 8.6573 k = 0.5000-0.1144-0.6366 ( 8822 PWs) bands (ev): -10.9001 -10.9001 -10.8894 -10.8894 -10.8603 -10.8603 -10.7609 -10.7609 -10.5862 -10.5862 -10.5737 -10.5737 -0.7801 -0.7801 -0.5961 -0.5961 -0.2544 -0.2544 -0.0919 -0.0919 0.0539 0.0539 0.3225 0.3225 0.5050 0.5050 0.6561 0.6561 0.9169 0.9169 1.0299 1.0299 1.1745 1.1745 1.4389 1.4389 1.5903 1.5903 1.8560 1.8560 1.9968 1.9968 2.1198 2.1198 2.2273 2.2273 2.3128 2.3128 3.0945 3.0945 3.1183 3.1183 3.1796 3.1796 3.2774 3.2774 3.3982 3.3982 3.4614 3.4614 4.1545 4.1545 4.2343 4.2343 4.3768 4.3768 4.4516 4.4516 8.6716 8.6716 k = 0.5000-0.1020-0.6549 ( 8816 PWs) bands (ev): -10.9092 -10.9092 -10.8788 -10.8788 -10.8560 -10.8560 -10.7725 -10.7725 -10.5830 -10.5830 -10.5711 -10.5711 -0.7875 -0.7875 -0.5907 -0.5907 -0.2451 -0.2451 -0.0712 -0.0712 0.0501 0.0501 0.3195 0.3195 0.5126 0.5126 0.6701 0.6701 0.9155 0.9155 1.0396 1.0396 1.1604 1.1604 1.4211 1.4211 1.5849 1.5849 1.8305 1.8305 1.9948 1.9948 2.1215 2.1215 2.2198 2.2198 2.3074 2.3074 3.0967 3.0967 3.1174 3.1174 3.1791 3.1791 3.2842 3.2842 3.4004 3.4004 3.4640 3.4640 4.1495 4.1495 4.2236 4.2236 4.3735 4.3735 4.4505 4.4505 8.6865 8.6865 k = 0.5000-0.0897-0.6732 ( 8812 PWs) bands (ev): -10.9236 -10.9236 -10.8668 -10.8668 -10.8474 -10.8474 -10.7843 -10.7843 -10.5798 -10.5798 -10.5685 -10.5685 -0.7956 -0.7956 -0.5868 -0.5868 -0.2356 -0.2356 -0.0515 -0.0515 0.0498 0.0498 0.3175 0.3175 0.5205 0.5205 0.6852 0.6852 0.9116 0.9116 1.0508 1.0508 1.1483 1.1483 1.4005 1.4005 1.5781 1.5781 1.8020 1.8020 1.9938 1.9938 2.1234 2.1234 2.2117 2.2117 2.3027 2.3027 3.0978 3.0978 3.1171 3.1171 3.1813 3.1813 3.2910 3.2910 3.4023 3.4023 3.4666 3.4666 4.1420 4.1420 4.2145 4.2145 4.3691 4.3691 4.4488 4.4488 8.7021 8.7021 k = 0.7725 0.0468-0.3353 ( 8812 PWs) bands (ev): -10.9236 -10.9236 -10.8668 -10.8668 -10.8474 -10.8474 -10.7843 -10.7843 -10.5798 -10.5798 -10.5685 -10.5685 -0.7956 -0.7956 -0.5868 -0.5868 -0.2356 -0.2356 -0.0515 -0.0515 0.0498 0.0498 0.3175 0.3175 0.5205 0.5205 0.6852 0.6852 0.9116 0.9116 1.0508 1.0508 1.1483 1.1483 1.4005 1.4005 1.5781 1.5781 1.8020 1.8020 1.9938 1.9938 2.1234 2.1234 2.2117 2.2117 2.3027 2.3027 3.0978 3.0978 3.1171 3.1171 3.1813 3.1813 3.2910 3.2910 3.4023 3.4023 3.4666 3.4666 4.1420 4.1420 4.2145 4.2145 4.3691 4.3691 4.4488 4.4488 8.7021 8.7021 k = 0.7624 0.0544-0.3166 ( 8816 PWs) bands (ev): -10.9399 -10.9399 -10.8541 -10.8541 -10.8371 -10.8371 -10.7963 -10.7963 -10.5766 -10.5766 -10.5658 -10.5658 -0.8040 -0.8040 -0.5843 -0.5843 -0.2259 -0.2259 -0.0355 -0.0355 0.0556 0.0556 0.3159 0.3159 0.5286 0.5286 0.7013 0.7013 0.9053 0.9053 1.0629 1.0629 1.1391 1.1391 1.3774 1.3774 1.5693 1.5693 1.7706 1.7706 1.9935 1.9935 2.1247 2.1247 2.2037 2.2037 2.2988 2.2988 3.0981 3.0981 3.1173 3.1173 3.1862 3.1862 3.2976 3.2976 3.4039 3.4039 3.4690 3.4690 4.1321 4.1321 4.2072 4.2072 4.3637 4.3637 4.4465 4.4465 8.7189 8.7189 k = 0.7523 0.0619-0.2979 ( 8816 PWs) bands (ev): -10.9567 -10.9567 -10.8413 -10.8413 -10.8263 -10.8263 -10.8080 -10.8080 -10.5735 -10.5735 -10.5632 -10.5632 -0.8121 -0.8121 -0.5831 -0.5831 -0.2162 -0.2162 -0.0261 -0.0261 0.0698 0.0698 0.3147 0.3147 0.5366 0.5366 0.7174 0.7174 0.8969 0.8969 1.0718 1.0718 1.1357 1.1357 1.3536 1.3536 1.5582 1.5582 1.7378 1.7378 1.9937 1.9937 2.1241 2.1241 2.1973 2.1973 2.2961 2.2961 3.0978 3.0978 3.1184 3.1184 3.1932 3.1932 3.3037 3.3037 3.4051 3.4051 3.4712 3.4712 4.1203 4.1203 4.2018 4.2018 4.3573 4.3573 4.4438 4.4438 8.7365 8.7365 k = 0.7422 0.0695-0.2793 ( 8820 PWs) bands (ev): -10.9737 -10.9737 -10.8291 -10.8291 -10.8215 -10.8215 -10.8125 -10.8125 -10.5704 -10.5704 -10.5607 -10.5607 -0.8194 -0.8194 -0.5828 -0.5828 -0.2066 -0.2066 -0.0228 -0.0228 0.0914 0.0914 0.3135 0.3135 0.5443 0.5443 0.7329 0.7329 0.8869 0.8869 1.0720 1.0720 1.1418 1.1418 1.3308 1.3308 1.5446 1.5446 1.7046 1.7046 1.9935 1.9935 2.1208 2.1208 2.1937 2.1937 2.2951 2.2951 3.0970 3.0970 3.1205 3.1205 3.2017 3.2017 3.3091 3.3091 3.4061 3.4061 3.4732 3.4732 4.1075 4.1075 4.1978 4.1978 4.3499 4.3499 4.4410 4.4410 8.7549 8.7549 k = 0.7321 0.0770-0.2606 ( 8818 PWs) bands (ev): -10.9907 -10.9907 -10.8340 -10.8340 -10.8144 -10.8144 -10.8018 -10.8018 -10.5675 -10.5675 -10.5583 -10.5583 -0.8259 -0.8259 -0.5830 -0.5830 -0.1973 -0.1973 -0.0229 -0.0229 0.1173 0.1173 0.3122 0.3122 0.5515 0.5515 0.7470 0.7470 0.8763 0.8763 1.0629 1.0629 1.1544 1.1544 1.3121 1.3121 1.5286 1.5286 1.6721 1.6721 1.9916 1.9916 2.1153 2.1153 2.1931 2.1931 2.2964 2.2964 3.0958 3.0958 3.1236 3.1236 3.2111 3.2111 3.3137 3.3137 3.4068 3.4068 3.4749 3.4749 4.0947 4.0947 4.1948 4.1948 4.3416 4.3416 4.4382 4.4382 8.7737 8.7737 k = 0.7220 0.0845-0.2419 ( 8826 PWs) bands (ev): -11.0075 -11.0075 -10.8456 -10.8456 -10.8014 -10.8014 -10.7900 -10.7900 -10.5647 -10.5647 -10.5560 -10.5560 -0.8311 -0.8311 -0.5832 -0.5832 -0.1882 -0.1882 -0.0244 -0.0244 0.1452 0.1452 0.3108 0.3108 0.5577 0.5577 0.7590 0.7590 0.8660 0.8660 1.0472 1.0472 1.1652 1.1652 1.3007 1.3007 1.5115 1.5115 1.6414 1.6414 1.9868 1.9868 2.1098 2.1098 2.1942 2.1942 2.3009 2.3009 3.0943 3.0943 3.1275 3.1275 3.2210 3.2210 3.3172 3.3172 3.4073 3.4073 3.4762 3.4762 4.0827 4.0827 4.1924 4.1924 4.3325 4.3325 4.4356 4.4356 8.7926 8.7926 k = 0.7119 0.0921-0.2232 ( 8826 PWs) bands (ev): -11.0240 -11.0240 -10.8573 -10.8573 -10.7882 -10.7882 -10.7781 -10.7781 -10.5620 -10.5620 -10.5538 -10.5538 -0.8351 -0.8351 -0.5832 -0.5832 -0.1793 -0.1793 -0.0263 -0.0263 0.1731 0.1731 0.3098 0.3098 0.5624 0.5624 0.7680 0.7680 0.8573 0.8573 1.0269 1.0269 1.1678 1.1678 1.2982 1.2982 1.4954 1.4954 1.6138 1.6138 1.9780 1.9780 2.1062 2.1062 2.1956 2.1956 2.3089 2.3089 3.0927 3.0927 3.1320 3.1320 3.2310 3.2310 3.3198 3.3198 3.4077 3.4077 3.4772 3.4772 4.0721 4.0721 4.1905 4.1905 4.3228 4.3228 4.4333 4.4333 8.8112 8.8112 k = 0.7018 0.0996-0.2045 ( 8824 PWs) bands (ev): -11.0402 -11.0402 -10.8689 -10.8689 -10.7751 -10.7751 -10.7660 -10.7660 -10.5595 -10.5595 -10.5517 -10.5517 -0.8376 -0.8376 -0.5827 -0.5827 -0.1705 -0.1705 -0.0280 -0.0280 0.1991 0.1991 0.3103 0.3103 0.5649 0.5649 0.7730 0.7730 0.8513 0.8513 1.0032 1.0032 1.1612 1.1612 1.2993 1.2993 1.4834 1.4834 1.5915 1.5915 1.9656 1.9656 2.1054 2.1054 2.1968 2.1968 2.3206 2.3206 3.0909 3.0909 3.1366 3.1366 3.2407 3.2407 3.3212 3.3212 3.4080 3.4080 3.4777 3.4777 4.0636 4.0636 4.1890 4.1890 4.3127 4.3127 4.4314 4.4314 8.8291 8.8291 k = 0.6917 0.1072-0.1859 ( 8814 PWs) bands (ev): -11.0560 -11.0560 -10.8802 -10.8802 -10.7621 -10.7621 -10.7540 -10.7540 -10.5572 -10.5572 -10.5499 -10.5499 -0.8385 -0.8385 -0.5815 -0.5815 -0.1619 -0.1619 -0.0292 -0.0292 0.2204 0.2204 0.3148 0.3148 0.5643 0.5643 0.7736 0.7736 0.8486 0.8486 0.9775 0.9775 1.1485 1.1485 1.2952 1.2952 1.4752 1.4752 1.5790 1.5790 1.9512 1.9512 2.1071 2.1071 2.1978 2.1978 2.3357 2.3357 3.0891 3.0891 3.1412 3.1412 3.2499 3.2499 3.3217 3.3217 3.4083 3.4083 3.4776 3.4776 4.0574 4.0574 4.1877 4.1877 4.3025 4.3025 4.4299 4.4299 8.8459 8.8459 k = 0.6816 0.1147-0.1672 ( 8814 PWs) bands (ev): -11.0713 -11.0713 -10.8912 -10.8912 -10.7492 -10.7492 -10.7420 -10.7420 -10.5551 -10.5551 -10.5482 -10.5482 -0.8378 -0.8378 -0.5793 -0.5793 -0.1532 -0.1532 -0.0299 -0.0299 0.2335 0.2335 0.3265 0.3265 0.5596 0.5596 0.7707 0.7707 0.8482 0.8482 0.9521 0.9521 1.1320 1.1320 1.2828 1.2828 1.4639 1.4639 1.5818 1.5818 1.9373 1.9373 2.1101 2.1101 2.1990 2.1990 2.3538 2.3538 3.0871 3.0871 3.1453 3.1453 3.2581 3.2581 3.3212 3.3212 3.4087 3.4087 3.4766 3.4766 4.0538 4.0538 4.1866 4.1866 4.2926 4.2926 4.4289 4.4289 8.8612 8.8612 k = 0.6716 0.1223-0.1485 ( 8818 PWs) bands (ev): -11.0861 -11.0861 -10.9019 -10.9019 -10.7365 -10.7365 -10.7302 -10.7302 -10.5533 -10.5533 -10.5467 -10.5467 -0.8355 -0.8355 -0.5761 -0.5761 -0.1444 -0.1444 -0.0300 -0.0300 0.2375 0.2375 0.3462 0.3462 0.5499 0.5499 0.7656 0.7656 0.8474 0.8474 0.9296 0.9296 1.1127 1.1127 1.2646 1.2646 1.4449 1.4449 1.5980 1.5980 1.9274 1.9274 2.1138 2.1138 2.2008 2.2008 2.3744 2.3744 3.0850 3.0850 3.1488 3.1488 3.2649 3.2649 3.3202 3.3202 3.4091 3.4091 3.4746 3.4746 4.0531 4.0531 4.1856 4.1856 4.2834 4.2834 4.4284 4.4284 8.8748 8.8748 k = 0.6615 0.1298-0.1298 ( 8814 PWs) bands (ev): -11.1003 -11.1003 -10.9121 -10.9121 -10.7240 -10.7240 -10.7184 -10.7184 -10.5517 -10.5517 -10.5455 -10.5455 -0.8316 -0.8316 -0.5716 -0.5716 -0.1355 -0.1355 -0.0295 -0.0295 0.2351 0.2351 0.3709 0.3709 0.5348 0.5348 0.7590 0.7590 0.8441 0.8441 0.9128 0.9128 1.0913 1.0913 1.2443 1.2443 1.4203 1.4203 1.6175 1.6175 1.9256 1.9256 2.1177 2.1177 2.2035 2.2035 2.3972 2.3972 3.0826 3.0826 3.1517 3.1517 3.2697 3.2697 3.3191 3.3191 3.4096 3.4096 3.4713 3.4713 4.0549 4.0549 4.1845 4.1845 4.2754 4.2754 4.4286 4.4286 8.8864 8.8864 k = 0.6514 0.1373-0.1112 ( 8820 PWs) bands (ev): -11.1139 -11.1139 -10.9220 -10.9220 -10.7118 -10.7118 -10.7069 -10.7069 -10.5503 -10.5503 -10.5445 -10.5445 -0.8260 -0.8260 -0.5660 -0.5660 -0.1264 -0.1264 -0.0286 -0.0286 0.2291 0.2291 0.3971 0.3971 0.5151 0.5151 0.7501 0.7501 0.8377 0.8377 0.9029 0.9029 1.0690 1.0690 1.2240 1.2240 1.3924 1.3924 1.6310 1.6310 1.9361 1.9361 2.1217 2.1217 2.2072 2.2072 2.4218 2.4218 3.0801 3.0801 3.1537 3.1537 3.2715 3.2715 3.3188 3.3188 3.4102 3.4102 3.4667 3.4667 4.0591 4.0591 4.1831 4.1831 4.2694 4.2694 4.4294 4.4294 8.8959 8.8959 k = 0.6413 0.1449-0.0925 ( 8816 PWs) bands (ev): -11.1268 -11.1268 -10.9314 -10.9314 -10.6999 -10.6999 -10.6956 -10.6956 -10.5493 -10.5493 -10.5438 -10.5438 -0.8188 -0.8188 -0.5592 -0.5592 -0.1172 -0.1172 -0.0272 -0.0272 0.2212 0.2212 0.4202 0.4202 0.4945 0.4945 0.7379 0.7379 0.8305 0.8305 0.8979 0.8979 1.0475 1.0475 1.2044 1.2044 1.3626 1.3626 1.6338 1.6338 1.9601 1.9601 2.1262 2.1262 2.2119 2.2119 2.4481 2.4481 3.0774 3.0774 3.1549 3.1549 3.2698 3.2698 3.3198 3.3198 3.4108 3.4108 3.4605 3.4605 4.0649 4.0649 4.1811 4.1811 4.2661 4.2661 4.4309 4.4309 8.9032 8.9032 k = 0.6312 0.1524-0.0738 ( 8822 PWs) bands (ev): -11.1390 -11.1390 -10.9403 -10.9403 -10.6884 -10.6884 -10.6845 -10.6845 -10.5485 -10.5485 -10.5434 -10.5434 -0.8100 -0.8100 -0.5511 -0.5511 -0.1078 -0.1078 -0.0257 -0.0257 0.2122 0.2122 0.4259 0.4259 0.4876 0.4876 0.7216 0.7216 0.8245 0.8245 0.8955 0.8955 1.0285 1.0285 1.1856 1.1856 1.3316 1.3316 1.6262 1.6262 1.9951 1.9951 2.1317 2.1317 2.2179 2.2179 2.4758 2.4758 3.0745 3.0745 3.1554 3.1554 3.2645 3.2645 3.3220 3.3220 3.4112 3.4112 3.4528 3.4528 4.0718 4.0718 4.1780 4.1780 4.2663 4.2663 4.4332 4.4332 8.9085 8.9085 k = 0.6211 0.1600-0.0551 ( 8824 PWs) bands (ev): -11.1505 -11.1505 -10.9487 -10.9487 -10.6772 -10.6772 -10.6738 -10.6738 -10.5481 -10.5481 -10.5433 -10.5433 -0.7998 -0.7998 -0.5418 -0.5418 -0.0985 -0.0985 -0.0241 -0.0241 0.2028 0.2028 0.4041 0.4041 0.5051 0.5051 0.7018 0.7018 0.8195 0.8195 0.8945 0.8945 1.0135 1.0135 1.1672 1.1672 1.2999 1.2999 1.6112 1.6112 2.0353 2.0353 2.1389 2.1389 2.2258 2.2258 2.5049 2.5049 3.0715 3.0715 3.1552 3.1552 3.2565 3.2565 3.3249 3.3249 3.4110 3.4110 3.4441 3.4441 4.0788 4.0788 4.1737 4.1737 4.2705 4.2705 4.4363 4.4363 8.9118 8.9118 k = 0.6110 0.1675-0.0365 ( 8826 PWs) bands (ev): -11.1612 -11.1612 -10.9565 -10.9565 -10.6664 -10.6664 -10.6633 -10.6633 -10.5480 -10.5480 -10.5436 -10.5436 -0.7882 -0.7882 -0.5314 -0.5314 -0.0892 -0.0892 -0.0229 -0.0229 0.1935 0.1935 0.3718 0.3718 0.5307 0.5307 0.6797 0.6797 0.8145 0.8145 0.8952 0.8952 1.0025 1.0025 1.1488 1.1488 1.2678 1.2678 1.5918 1.5918 2.0741 2.0741 2.1493 2.1493 2.2370 2.2370 2.5351 2.5351 3.0684 3.0684 3.1543 3.1543 3.2463 3.2463 3.3279 3.3279 3.4090 3.4090 3.4355 3.4355 4.0853 4.0853 4.1684 4.1684 4.2786 4.2786 4.4402 4.4402 8.9134 8.9134 k = 0.6009 0.1751-0.0178 ( 8828 PWs) bands (ev): -11.1710 -11.1710 -10.9637 -10.9637 -10.6561 -10.6561 -10.6533 -10.6533 -10.5483 -10.5483 -10.5442 -10.5442 -0.7755 -0.7755 -0.5201 -0.5201 -0.0804 -0.0804 -0.0222 -0.0222 0.1845 0.1845 0.3370 0.3370 0.5562 0.5562 0.6572 0.6572 0.8092 0.8092 0.8979 0.8979 0.9951 0.9951 1.1303 1.1303 1.2356 1.2356 1.5702 1.5702 2.1039 2.1039 2.1644 2.1644 2.2545 2.2545 2.5665 2.5665 3.0655 3.0655 3.1528 3.1528 3.2346 3.2346 3.3305 3.3305 3.4030 3.4030 3.4293 3.4293 4.0908 4.0908 4.1625 4.1625 4.2899 4.2899 4.4452 4.4452 8.9135 8.9135 k = 0.5908 0.1826 0.0009 ( 8826 PWs) bands (ev): -11.1800 -11.1800 -10.9703 -10.9703 -10.6462 -10.6462 -10.6436 -10.6436 -10.5489 -10.5489 -10.5452 -10.5452 -0.7619 -0.7619 -0.5080 -0.5080 -0.0721 -0.0721 -0.0224 -0.0224 0.1764 0.1764 0.3023 0.3023 0.5750 0.5750 0.6403 0.6403 0.8040 0.8040 0.9026 0.9026 0.9901 0.9901 1.1116 1.1116 1.2037 1.2037 1.5478 1.5478 2.1224 2.1224 2.1810 2.1810 2.2816 2.2816 2.5990 2.5990 3.0627 3.0627 3.1507 3.1507 3.2216 3.2216 3.3325 3.3325 3.3920 3.3920 3.4268 3.4268 4.0952 4.0952 4.1563 4.1563 4.3032 4.3032 4.4513 4.4513 8.9124 8.9124 k = 0.5807 0.1902 0.0196 ( 8826 PWs) bands (ev): -11.1882 -11.1882 -10.9763 -10.9763 -10.6367 -10.6367 -10.6344 -10.6344 -10.5498 -10.5498 -10.5465 -10.5465 -0.7476 -0.7476 -0.4954 -0.4954 -0.0649 -0.0649 -0.0239 -0.0239 0.1692 0.1692 0.2693 0.2693 0.5733 0.5733 0.6434 0.6434 0.7996 0.7996 0.9088 0.9088 0.9865 0.9865 1.0930 1.0930 1.1722 1.1722 1.5257 1.5257 2.1341 2.1341 2.1938 2.1938 2.3171 2.3171 2.6324 2.6324 3.0603 3.0603 3.1479 3.1479 3.2077 3.2077 3.3334 3.3334 3.3782 3.3782 3.4264 3.4264 4.0983 4.0983 4.1503 4.1503 4.3174 4.3174 4.4585 4.4585 8.9103 8.9103 k = 0.5706 0.1977 0.0382 ( 8824 PWs) bands (ev): -11.1954 -11.1954 -10.9816 -10.9816 -10.6278 -10.6278 -10.6257 -10.6257 -10.5512 -10.5512 -10.5483 -10.5483 -0.7330 -0.7330 -0.4825 -0.4825 -0.0591 -0.0591 -0.0267 -0.0267 0.1631 0.1631 0.2395 0.2395 0.5540 0.5540 0.6638 0.6638 0.7965 0.7965 0.9158 0.9158 0.9835 0.9835 1.0746 1.0746 1.1414 1.1414 1.5048 1.5048 2.1427 2.1427 2.2026 2.2026 2.3561 2.3561 2.6666 2.6666 3.0584 3.0584 3.1445 3.1445 3.1933 3.1933 3.3322 3.3322 3.3642 3.3642 3.4268 3.4268 4.1003 4.1003 4.1448 4.1448 4.3313 4.3313 4.4668 4.4668 8.9074 8.9074 k = 0.5605 0.2052 0.0569 ( 8824 PWs) bands (ev): -11.2017 -11.2017 -10.9862 -10.9862 -10.6193 -10.6193 -10.6175 -10.6175 -10.5530 -10.5530 -10.5505 -10.5505 -0.7185 -0.7185 -0.4698 -0.4698 -0.0551 -0.0551 -0.0309 -0.0309 0.1576 0.1576 0.2142 0.2142 0.5307 0.5307 0.6888 0.6888 0.7950 0.7950 0.9233 0.9233 0.9806 0.9806 1.0569 1.0569 1.1117 1.1117 1.4854 1.4854 2.1496 2.1496 2.2088 2.2088 2.3941 2.3941 2.7011 2.7011 3.0572 3.0572 3.1403 3.1403 3.1785 3.1785 3.3264 3.3264 3.3538 3.3538 3.4275 3.4275 4.1015 4.1015 4.1399 4.1399 4.3439 4.3439 4.4760 4.4760 8.8980 8.8980 k = 0.5505 0.2128 0.0756 ( 8810 PWs) bands (ev): -11.2071 -11.2071 -10.9902 -10.9902 -10.6114 -10.6114 -10.6098 -10.6098 -10.5551 -10.5551 -10.5530 -10.5530 -0.7047 -0.7047 -0.4577 -0.4577 -0.0532 -0.0532 -0.0360 -0.0360 0.1522 0.1522 0.1951 0.1951 0.5080 0.5080 0.7141 0.7141 0.7950 0.7950 0.9307 0.9307 0.9775 0.9775 1.0403 1.0403 1.0833 1.0833 1.4683 1.4683 2.1554 2.1554 2.2136 2.2136 2.4286 2.4286 2.7354 2.7354 3.0568 3.0568 3.1353 3.1353 3.1638 3.1638 3.3146 3.3146 3.3491 3.3491 3.4283 3.4283 4.1019 4.1019 4.1359 4.1359 4.3547 4.3547 4.4857 4.4857 8.8775 8.8775 k = 0.5404 0.2203 0.0943 ( 8814 PWs) bands (ev): -11.2115 -11.2115 -10.9934 -10.9934 -10.6041 -10.6041 -10.6029 -10.6029 -10.5575 -10.5575 -10.5559 -10.5559 -0.6921 -0.6921 -0.4466 -0.4466 -0.0539 -0.0539 -0.0412 -0.0412 0.1459 0.1459 0.1830 0.1830 0.4877 0.4877 0.7381 0.7381 0.7964 0.7964 0.9380 0.9380 0.9741 0.9741 1.0256 1.0256 1.0568 1.0568 1.4537 1.4537 2.1601 2.1601 2.2173 2.2173 2.4581 2.4581 2.7683 2.7683 3.0574 3.0574 3.1295 3.1295 3.1492 3.1492 3.3007 3.3007 3.3476 3.3476 3.4290 3.4290 4.1018 4.1018 4.1327 4.1327 4.3634 4.3634 4.4950 4.4950 8.8593 8.8593 k = 0.5303 0.2279 0.1130 ( 8814 PWs) bands (ev): -11.2149 -11.2149 -10.9960 -10.9960 -10.5975 -10.5975 -10.5966 -10.5966 -10.5602 -10.5602 -10.5590 -10.5590 -0.6814 -0.6814 -0.4372 -0.4372 -0.0569 -0.0569 -0.0455 -0.0455 0.1393 0.1393 0.1770 0.1770 0.4708 0.4708 0.7593 0.7593 0.7989 0.7989 0.9446 0.9446 0.9708 0.9708 1.0132 1.0132 1.0328 1.0328 1.4420 1.4420 2.1637 2.1637 2.2203 2.2203 2.4816 2.4816 2.7981 2.7981 3.0590 3.0590 3.1234 3.1234 3.1353 3.1353 3.2877 3.2877 3.3472 3.3472 3.4296 3.4296 4.1013 4.1013 4.1304 4.1304 4.3699 4.3699 4.5033 4.5033 8.8445 8.8445 k = 0.5202 0.2354 0.1316 ( 8816 PWs) bands (ev): -11.2174 -11.2174 -10.9978 -10.9978 -10.5919 -10.5919 -10.5913 -10.5913 -10.5631 -10.5631 -10.5621 -10.5621 -0.6731 -0.6731 -0.4300 -0.4300 -0.0609 -0.0609 -0.0485 -0.0485 0.1339 0.1339 0.1746 0.1746 0.4581 0.4581 0.7758 0.7758 0.8027 0.8027 0.9499 0.9499 0.9688 0.9688 1.0031 1.0031 1.0128 1.0128 1.4335 1.4335 2.1663 2.1663 2.2224 2.2224 2.4987 2.4987 2.8227 2.8227 3.0612 3.0612 3.1176 3.1176 3.1230 3.1230 3.2776 3.2776 3.3470 3.3470 3.4300 3.4300 4.1008 4.1008 4.1288 4.1288 4.3744 4.3744 4.5099 4.5099 8.8337 8.8337 k = 0.5101 0.2430 0.1503 ( 8822 PWs) bands (ev): -11.2189 -11.2189 -10.9989 -10.9989 -10.5878 -10.5878 -10.5874 -10.5874 -10.5656 -10.5656 -10.5646 -10.5646 -0.6679 -0.6679 -0.4255 -0.4255 -0.0640 -0.0640 -0.0504 -0.0504 0.1306 0.1306 0.1739 0.1739 0.4503 0.4503 0.7854 0.7854 0.8071 0.8071 0.9526 0.9526 0.9703 0.9703 0.9924 0.9924 1.0013 1.0013 1.4283 1.4283 2.1678 2.1678 2.2237 2.2237 2.5091 2.5091 2.8392 2.8392 3.0636 3.0636 3.1123 3.1123 3.1149 3.1149 3.2712 3.2712 3.3470 3.3470 3.4303 3.4303 4.1005 4.1005 4.1279 4.1279 4.3770 4.3770 4.5140 4.5140 8.8270 8.8270 k = 0.5000 0.2505 0.1690 ( 8828 PWs) bands (ev): -11.2194 -11.2194 -10.9993 -10.9993 -10.5862 -10.5862 -10.5858 -10.5858 -10.5667 -10.5667 -10.5656 -10.5656 -0.6661 -0.6661 -0.4239 -0.4239 -0.0652 -0.0652 -0.0511 -0.0511 0.1295 0.1295 0.1737 0.1737 0.4476 0.4476 0.7883 0.7883 0.8093 0.8093 0.9530 0.9530 0.9736 0.9736 0.9851 0.9851 0.9986 0.9986 1.4266 1.4266 2.1683 2.1683 2.2242 2.2242 2.5126 2.5126 2.8450 2.8450 3.0647 3.0647 3.1093 3.1093 3.1128 3.1128 3.2690 3.2690 3.3470 3.3470 3.4304 3.4304 4.1003 4.1003 4.1276 4.1276 4.3779 4.3779 4.5154 4.5154 8.8248 8.8248 k = 0.5000 0.2505 0.1690 ( 8828 PWs) bands (ev): -11.2194 -11.2194 -10.9993 -10.9993 -10.5862 -10.5862 -10.5858 -10.5858 -10.5667 -10.5667 -10.5656 -10.5656 -0.6661 -0.6661 -0.4239 -0.4239 -0.0652 -0.0652 -0.0511 -0.0511 0.1295 0.1295 0.1737 0.1737 0.4476 0.4476 0.7883 0.7883 0.8093 0.8093 0.9530 0.9530 0.9736 0.9736 0.9851 0.9851 0.9986 0.9986 1.4266 1.4266 2.1683 2.1683 2.2242 2.2242 2.5126 2.5126 2.8450 2.8450 3.0647 3.0647 3.1093 3.1093 3.1128 3.1128 3.2690 3.2690 3.3470 3.3470 3.4304 3.4304 4.1003 4.1003 4.1276 4.1276 4.3779 4.3779 4.5154 4.5154 8.8248 8.8248 k = 0.4808 0.2409 0.1625 ( 8831 PWs) bands (ev): -11.2210 -11.2210 -10.9975 -10.9975 -10.5862 -10.5862 -10.5857 -10.5857 -10.5667 -10.5667 -10.5656 -10.5656 -0.6661 -0.6661 -0.4264 -0.4264 -0.0774 -0.0774 -0.0394 -0.0394 0.1206 0.1206 0.1820 0.1820 0.4420 0.4420 0.7805 0.7805 0.8219 0.8219 0.9486 0.9486 0.9696 0.9696 0.9906 0.9906 1.0025 1.0025 1.4294 1.4294 2.1691 2.1691 2.2248 2.2248 2.5132 2.5132 2.8455 2.8455 3.0647 3.0647 3.1093 3.1093 3.1127 3.1127 3.2689 3.2689 3.3470 3.3470 3.4304 3.4304 4.1010 4.1010 4.1282 4.1282 4.3780 4.3780 4.5153 4.5153 8.8111 8.8111 k = 0.4615 0.2312 0.1560 ( 8834 PWs) bands (ev): -11.2258 -11.2258 -10.9922 -10.9922 -10.5861 -10.5861 -10.5857 -10.5857 -10.5667 -10.5667 -10.5657 -10.5657 -0.6658 -0.6658 -0.4339 -0.4339 -0.0950 -0.0950 -0.0236 -0.0236 0.1027 0.1027 0.1981 0.1981 0.4271 0.4271 0.7696 0.7696 0.8444 0.8444 0.9405 0.9405 0.9614 0.9614 1.0030 1.0030 1.0106 1.0106 1.4382 1.4382 2.1714 2.1714 2.2266 2.2266 2.5151 2.5151 2.8469 2.8469 3.0648 3.0648 3.1092 3.1092 3.1126 3.1126 3.2686 3.2686 3.3470 3.3470 3.4304 3.4304 4.1032 4.1032 4.1299 4.1299 4.3785 4.3785 4.5150 4.5150 8.7821 8.7821 k = 0.4423 0.2216 0.1495 ( 8831 PWs) bands (ev): -11.2333 -11.2333 -10.9840 -10.9840 -10.5860 -10.5860 -10.5856 -10.5856 -10.5668 -10.5668 -10.5657 -10.5657 -0.6655 -0.6655 -0.4463 -0.4463 -0.1131 -0.1131 -0.0085 -0.0085 0.0825 0.0825 0.2152 0.2152 0.4068 0.4068 0.7589 0.7589 0.8662 0.8662 0.9350 0.9350 0.9524 0.9524 1.0190 1.0190 1.0197 1.0197 1.4535 1.4535 2.1751 2.1751 2.2296 2.2296 2.5184 2.5184 2.8491 2.8491 3.0648 3.0648 3.1091 3.1091 3.1124 3.1124 3.2682 3.2682 3.3471 3.3471 3.4304 3.4304 4.1067 4.1067 4.1328 4.1328 4.3794 4.3794 4.5144 4.5144 8.7471 8.7471 k = 0.4231 0.2120 0.1430 ( 8825 PWs) bands (ev): -11.2429 -11.2429 -10.9734 -10.9734 -10.5859 -10.5859 -10.5855 -10.5855 -10.5669 -10.5669 -10.5658 -10.5658 -0.6653 -0.6653 -0.4634 -0.4634 -0.1310 -0.1310 0.0052 0.0052 0.0616 0.0616 0.2314 0.2314 0.3849 0.3849 0.7475 0.7475 0.8778 0.8778 0.9381 0.9381 0.9437 0.9437 1.0286 1.0286 1.0382 1.0382 1.4760 1.4760 2.1803 2.1803 2.2338 2.2338 2.5229 2.5229 2.8522 2.8522 3.0648 3.0648 3.1091 3.1091 3.1122 3.1122 3.2677 3.2677 3.3471 3.3471 3.4303 3.4303 4.1116 4.1116 4.1367 4.1367 4.3806 4.3806 4.5137 4.5137 8.7085 8.7085 k = 0.4038 0.2023 0.1365 ( 8825 PWs) bands (ev): -11.2540 -11.2540 -10.9610 -10.9610 -10.5857 -10.5857 -10.5853 -10.5853 -10.5670 -10.5670 -10.5659 -10.5659 -0.6655 -0.6655 -0.4845 -0.4845 -0.1486 -0.1486 0.0171 0.0171 0.0409 0.0409 0.2459 0.2459 0.3645 0.3645 0.7349 0.7349 0.8770 0.8770 0.9358 0.9358 0.9497 0.9497 1.0371 1.0371 1.0599 1.0599 1.5065 1.5065 2.1868 2.1868 2.2390 2.2390 2.5287 2.5287 2.8562 2.8562 3.0649 3.0649 3.1090 3.1090 3.1119 3.1119 3.2670 3.2670 3.3470 3.3470 3.4302 3.4302 4.1177 4.1177 4.1415 4.1415 4.3820 4.3820 4.5126 4.5126 8.6670 8.6670 k = 0.3846 0.1927 0.1300 ( 8816 PWs) bands (ev): -11.2661 -11.2661 -10.9474 -10.9474 -10.5855 -10.5855 -10.5851 -10.5851 -10.5671 -10.5671 -10.5660 -10.5660 -0.6666 -0.6666 -0.5088 -0.5088 -0.1656 -0.1656 0.0207 0.0207 0.0270 0.0270 0.2581 0.2581 0.3470 0.3470 0.7208 0.7208 0.8707 0.8707 0.9291 0.9291 0.9625 0.9625 1.0451 1.0451 1.0822 1.0822 1.5456 1.5456 2.1944 2.1944 2.2452 2.2452 2.5359 2.5359 2.8609 2.8609 3.0650 3.0650 3.1091 3.1091 3.1118 3.1118 3.2662 3.2662 3.3469 3.3469 3.4298 3.4298 4.1249 4.1249 4.1471 4.1471 4.3838 4.3838 4.5114 4.5114 8.6225 8.6225 k = 0.3654 0.1831 0.1235 ( 8813 PWs) bands (ev): -11.2788 -11.2788 -10.9329 -10.9329 -10.5853 -10.5853 -10.5849 -10.5849 -10.5672 -10.5672 -10.5661 -10.5661 -0.6698 -0.6698 -0.5347 -0.5347 -0.1818 -0.1818 0.0014 0.0014 0.0345 0.0345 0.2677 0.2677 0.3333 0.3333 0.7053 0.7053 0.8637 0.8637 0.9239 0.9239 0.9730 0.9730 1.0523 1.0523 1.1028 1.1028 1.5931 1.5931 2.2031 2.2031 2.2524 2.2524 2.5444 2.5444 2.8663 2.8663 3.0650 3.0650 3.1093 3.1093 3.1118 3.1118 3.2652 3.2652 3.3465 3.3465 3.4293 3.4293 4.1329 4.1329 4.1535 4.1535 4.3858 4.3858 4.5100 4.5100 8.5751 8.5751 k = 0.3462 0.1734 0.1170 ( 8825 PWs) bands (ev): -11.2918 -11.2918 -10.9179 -10.9179 -10.5851 -10.5851 -10.5846 -10.5846 -10.5674 -10.5674 -10.5663 -10.5663 -0.6771 -0.6771 -0.5593 -0.5593 -0.1971 -0.1971 -0.0169 -0.0169 0.0395 0.0395 0.2747 0.2747 0.3231 0.3231 0.6886 0.6886 0.8577 0.8577 0.9205 0.9205 0.9810 0.9810 1.0587 1.0587 1.1198 1.1198 1.6481 1.6481 2.2128 2.2128 2.2603 2.2603 2.5542 2.5542 2.8723 2.8723 3.0651 3.0651 3.1096 3.1096 3.1120 3.1120 3.2640 3.2640 3.3458 3.3458 3.4284 3.4284 4.1418 4.1418 4.1604 4.1604 4.3879 4.3879 4.5083 4.5083 8.5245 8.5245 k = 0.3269 0.1638 0.1105 ( 8807 PWs) bands (ev): -11.3048 -11.3048 -10.9027 -10.9027 -10.5848 -10.5848 -10.5843 -10.5843 -10.5676 -10.5676 -10.5665 -10.5665 -0.6914 -0.6914 -0.5789 -0.5789 -0.2113 -0.2113 -0.0338 -0.0338 0.0418 0.0418 0.2795 0.2795 0.3156 0.3156 0.6710 0.6710 0.8536 0.8536 0.9188 0.9188 0.9870 0.9870 1.0644 1.0644 1.1326 1.1326 1.7093 1.7093 2.2231 2.2231 2.2689 2.2689 2.5655 2.5655 2.8788 2.8788 3.0652 3.0652 3.1102 3.1102 3.1124 3.1124 3.2626 3.2626 3.3449 3.3449 3.4273 3.4273 4.1514 4.1514 4.1678 4.1678 4.3902 4.3902 4.5063 4.5063 8.4707 8.4707 k = 0.3077 0.1542 0.1040 ( 8807 PWs) bands (ev): -11.3177 -11.3177 -10.8875 -10.8875 -10.5844 -10.5844 -10.5840 -10.5840 -10.5678 -10.5678 -10.5667 -10.5667 -0.7146 -0.7146 -0.5909 -0.5909 -0.2244 -0.2244 -0.0494 -0.0494 0.0415 0.0415 0.2819 0.2819 0.3105 0.3105 0.6530 0.6530 0.8517 0.8517 0.9191 0.9191 0.9913 0.9913 1.0693 1.0693 1.1414 1.1414 1.7748 1.7748 2.2341 2.2341 2.2781 2.2781 2.5784 2.5784 2.8858 2.8858 3.0653 3.0653 3.1110 3.1110 3.1132 3.1132 3.2610 3.2610 3.3437 3.3437 3.4257 3.4257 4.1614 4.1614 4.1756 4.1756 4.3924 4.3924 4.5041 4.5041 8.4139 8.4139 k = 0.2885 0.1445 0.0975 ( 8810 PWs) bands (ev): -11.3303 -11.3303 -10.8724 -10.8724 -10.5841 -10.5841 -10.5836 -10.5836 -10.5680 -10.5680 -10.5669 -10.5669 -0.7451 -0.7451 -0.5961 -0.5961 -0.2363 -0.2363 -0.0634 -0.0634 0.0385 0.0385 0.2808 0.2808 0.3084 0.3084 0.6351 0.6351 0.8519 0.8519 0.9213 0.9213 0.9941 0.9941 1.0735 1.0735 1.1466 1.1466 1.8428 1.8428 2.2456 2.2456 2.2878 2.2878 2.5929 2.5929 2.8932 2.8932 3.0653 3.0653 3.1120 3.1120 3.1143 3.1143 3.2593 3.2593 3.3421 3.3421 3.4238 3.4238 4.1718 4.1718 4.1837 4.1837 4.3945 4.3945 4.5016 4.5016 8.3544 8.3544 k = 0.2692 0.1349 0.0910 ( 8807 PWs) bands (ev): -11.3425 -11.3425 -10.8578 -10.8578 -10.5837 -10.5837 -10.5833 -10.5833 -10.5682 -10.5682 -10.5672 -10.5672 -0.7799 -0.7799 -0.5968 -0.5968 -0.2468 -0.2468 -0.0759 -0.0759 0.0331 0.0331 0.2747 0.2747 0.3101 0.3101 0.6181 0.6181 0.8539 0.8539 0.9252 0.9252 0.9957 0.9957 1.0770 1.0770 1.1490 1.1490 1.9117 1.9117 2.2573 2.2573 2.2978 2.2978 2.6093 2.6093 2.9008 2.9008 3.0654 3.0654 3.1133 3.1133 3.1158 3.1158 3.2573 3.2573 3.3400 3.3400 3.4214 3.4214 4.1824 4.1824 4.1920 4.1920 4.3963 4.3963 4.4987 4.4987 8.2927 8.2927 k = 0.2500 0.1252 0.0845 ( 8819 PWs) bands (ev): -11.3542 -11.3542 -10.8436 -10.8436 -10.5833 -10.5833 -10.5829 -10.5829 -10.5685 -10.5685 -10.5674 -10.5674 -0.8166 -0.8166 -0.5948 -0.5948 -0.2560 -0.2560 -0.0868 -0.0868 0.0255 0.0255 0.2646 0.2646 0.3142 0.3142 0.6026 0.6026 0.8573 0.8573 0.9307 0.9307 0.9959 0.9959 1.0797 1.0797 1.1491 1.1491 1.9797 1.9797 2.2692 2.2692 2.3079 2.3079 2.6278 2.6278 2.9085 2.9085 3.0655 3.0655 3.1148 3.1148 3.1178 3.1178 3.2550 3.2550 3.3376 3.3376 3.4186 3.4186 4.1931 4.1931 4.2005 4.2005 4.3976 4.3976 4.4954 4.4954 8.2294 8.2294 k = 0.2308 0.1156 0.0780 ( 8831 PWs) bands (ev): -11.3653 -11.3653 -10.8300 -10.8300 -10.5829 -10.5829 -10.5825 -10.5825 -10.5688 -10.5688 -10.5677 -10.5677 -0.8534 -0.8534 -0.5912 -0.5912 -0.2637 -0.2637 -0.0960 -0.0960 0.0159 0.0159 0.2517 0.2517 0.3191 0.3191 0.5895 0.5895 0.8617 0.8617 0.9375 0.9375 0.9949 0.9949 1.0819 1.0819 1.1476 1.1476 2.0454 2.0454 2.2810 2.2810 2.3181 2.3181 2.6487 2.6487 2.9163 2.9163 3.0656 3.0656 3.1166 3.1166 3.1201 3.1201 3.2524 3.2524 3.3348 3.3348 3.4154 3.4154 4.2037 4.2037 4.2092 4.2092 4.3983 4.3983 4.4918 4.4918 8.1653 8.1653 k = 0.2115 0.1060 0.0715 ( 8849 PWs) bands (ev): -11.3756 -11.3756 -10.8171 -10.8171 -10.5825 -10.5825 -10.5821 -10.5821 -10.5690 -10.5690 -10.5680 -10.5680 -0.8895 -0.8895 -0.5867 -0.5867 -0.2701 -0.2701 -0.1037 -0.1037 0.0046 0.0046 0.2369 0.2369 0.3233 0.3233 0.5798 0.5798 0.8666 0.8666 0.9454 0.9454 0.9924 0.9924 1.0834 1.0834 1.1451 1.1451 2.1075 2.1075 2.2927 2.2927 2.3282 2.3282 2.6723 2.6723 2.9239 2.9239 3.0656 3.0656 3.1184 3.1184 3.1229 3.1229 3.2495 3.2495 3.3315 3.3315 3.4118 3.4118 4.2143 4.2143 4.2181 4.2181 4.3983 4.3983 4.4878 4.4878 8.1013 8.1013 k = 0.1923 0.0963 0.0650 ( 8837 PWs) bands (ev): -11.3853 -11.3853 -10.8050 -10.8050 -10.5821 -10.5821 -10.5816 -10.5816 -10.5693 -10.5693 -10.5683 -10.5683 -0.9239 -0.9239 -0.5815 -0.5815 -0.2750 -0.2750 -0.1099 -0.1099 -0.0078 -0.0078 0.2209 0.2209 0.3258 0.3258 0.5744 0.5744 0.8713 0.8713 0.9540 0.9540 0.9884 0.9884 1.0844 1.0844 1.1424 1.1424 2.1646 2.1646 2.3040 2.3040 2.3380 2.3380 2.6988 2.6988 2.9313 2.9313 3.0657 3.0657 3.1203 3.1203 3.1261 3.1261 3.2463 3.2463 3.3280 3.3280 3.4078 3.4078 4.2247 4.2247 4.2273 4.2273 4.3973 4.3973 4.4833 4.4833 8.0384 8.0384 k = 0.1731 0.0867 0.0585 ( 8861 PWs) bands (ev): -11.3941 -11.3941 -10.7938 -10.7938 -10.5817 -10.5817 -10.5812 -10.5812 -10.5697 -10.5697 -10.5686 -10.5686 -0.9563 -0.9563 -0.5760 -0.5760 -0.2786 -0.2786 -0.1146 -0.1146 -0.0211 -0.0211 0.2043 0.2043 0.3260 0.3260 0.5737 0.5737 0.8753 0.8753 0.9631 0.9631 0.9828 0.9828 1.0849 1.0849 1.1398 1.1398 2.2159 2.2159 2.3148 2.3148 2.3474 2.3474 2.7282 2.7282 2.9385 2.9385 3.0656 3.0656 3.1220 3.1220 3.1297 3.1297 3.2428 3.2428 3.3241 3.3241 3.4036 3.4036 4.2348 4.2348 4.2368 4.2368 4.3953 4.3953 4.4785 4.4785 7.9775 7.9775 k = 0.1538 0.0771 0.0520 ( 8846 PWs) bands (ev): -11.4022 -11.4022 -10.7836 -10.7836 -10.5812 -10.5812 -10.5808 -10.5808 -10.5700 -10.5700 -10.5689 -10.5689 -0.9861 -0.9861 -0.5704 -0.5704 -0.2809 -0.2809 -0.1179 -0.1179 -0.0348 -0.0348 0.1874 0.1874 0.3237 0.3237 0.5779 0.5779 0.8782 0.8782 0.9723 0.9723 0.9760 0.9760 1.0849 1.0849 1.1378 1.1378 2.2606 2.2606 2.3250 2.3250 2.3563 2.3563 2.7604 2.7604 2.9452 2.9452 3.0657 3.0657 3.1233 3.1233 3.1336 3.1336 3.2390 3.2390 3.3201 3.3201 3.3992 3.3992 4.2446 4.2446 4.2465 4.2465 4.3923 4.3923 4.4733 4.4733 7.9196 7.9196 k = 0.1346 0.0674 0.0455 ( 8855 PWs) bands (ev): -11.4093 -11.4093 -10.7744 -10.7744 -10.5808 -10.5808 -10.5804 -10.5804 -10.5703 -10.5703 -10.5692 -10.5692 -1.0130 -1.0130 -0.5650 -0.5650 -0.2821 -0.2821 -0.1199 -0.1199 -0.0486 -0.0486 0.1709 0.1709 0.3193 0.3193 0.5864 0.5864 0.8793 0.8793 0.9682 0.9682 0.9815 0.9815 1.0845 1.0845 1.1364 1.1364 2.2985 2.2985 2.3346 2.3346 2.3645 2.3645 2.7947 2.7947 2.9513 2.9513 3.0657 3.0657 3.1239 3.1239 3.1376 3.1376 3.2350 3.2350 3.3158 3.3158 3.3948 3.3948 4.2540 4.2540 4.2564 4.2564 4.3881 4.3881 4.4678 4.4678 7.8657 7.8657 k = 0.1154 0.0578 0.0390 ( 8852 PWs) bands (ev): -11.4156 -11.4156 -10.7663 -10.7663 -10.5804 -10.5804 -10.5800 -10.5800 -10.5706 -10.5706 -10.5695 -10.5695 -1.0369 -1.0369 -0.5598 -0.5598 -0.2822 -0.2822 -0.1209 -0.1209 -0.0619 -0.0619 0.1552 0.1552 0.3135 0.3135 0.5983 0.5983 0.8781 0.8781 0.9604 0.9604 0.9902 0.9902 1.0837 1.0837 1.1359 1.1359 2.3292 2.3292 2.3437 2.3437 2.3720 2.3720 2.8301 2.8301 2.9569 2.9569 3.0657 3.0657 3.1234 3.1234 3.1418 3.1418 3.2310 3.2310 3.3116 3.3116 3.3904 3.3904 4.2629 4.2629 4.2667 4.2667 4.3828 4.3828 4.4622 4.4622 7.8167 7.8167 k = 0.0962 0.0482 0.0325 ( 8846 PWs) bands (ev): -11.4209 -11.4209 -10.7594 -10.7594 -10.5800 -10.5800 -10.5796 -10.5796 -10.5709 -10.5709 -10.5698 -10.5698 -1.0574 -1.0574 -0.5550 -0.5550 -0.2815 -0.2815 -0.1211 -0.1211 -0.0744 -0.0744 0.1408 0.1408 0.3071 0.3071 0.6126 0.6126 0.8741 0.8741 0.9534 0.9534 0.9983 0.9983 1.0827 1.0827 1.1359 1.1359 2.3478 2.3478 2.3579 2.3579 2.3785 2.3785 2.8655 2.8655 2.9617 2.9617 3.0658 3.0658 3.1214 3.1214 3.1458 3.1458 3.2271 3.2271 3.3076 3.3076 3.3862 3.3862 4.2711 4.2711 4.2772 4.2772 4.3764 4.3764 4.4567 4.4567 7.7736 7.7736 k = 0.0769 0.0385 0.0260 ( 8846 PWs) bands (ev): -11.4253 -11.4253 -10.7537 -10.7537 -10.5797 -10.5797 -10.5793 -10.5793 -10.5712 -10.5712 -10.5701 -10.5701 -1.0744 -1.0744 -0.5509 -0.5509 -0.2802 -0.2802 -0.1206 -0.1206 -0.0856 -0.0856 0.1281 0.1281 0.3008 0.3008 0.6280 0.6280 0.8673 0.8673 0.9480 0.9480 1.0056 1.0056 1.0814 1.0814 1.1363 1.1363 2.3552 2.3552 2.3764 2.3764 2.3839 2.3839 2.8995 2.8995 2.9658 2.9658 3.0657 3.0657 3.1176 3.1176 3.1495 3.1495 3.2237 3.2237 3.3039 3.3039 3.3825 3.3825 4.2784 4.2784 4.2879 4.2879 4.3690 4.3690 4.4514 4.4514 7.7371 7.7371 k = 0.0577 0.0289 0.0195 ( 8846 PWs) bands (ev): -11.4288 -11.4288 -10.7492 -10.7492 -10.5794 -10.5794 -10.5790 -10.5790 -10.5714 -10.5714 -10.5703 -10.5703 -1.0877 -1.0877 -0.5475 -0.5475 -0.2787 -0.2787 -0.1197 -0.1197 -0.0950 -0.0950 0.1176 0.1176 0.2952 0.2952 0.6430 0.6430 0.8587 0.8587 0.9443 0.9443 1.0116 1.0116 1.0801 1.0801 1.1370 1.1370 2.3603 2.3603 2.3883 2.3883 2.3908 2.3908 2.9304 2.9304 2.9690 2.9690 3.0658 3.0658 3.1119 3.1119 3.1527 3.1527 3.2208 3.2208 3.3007 3.3007 3.3793 3.3793 4.2846 4.2846 4.2988 4.2988 4.3606 4.3606 4.4468 4.4468 7.7079 7.7079 k = 0.0385 0.0193 0.0130 ( 8883 PWs) bands (ev): -11.4313 -11.4313 -10.7460 -10.7460 -10.5792 -10.5792 -10.5788 -10.5788 -10.5716 -10.5716 -10.5704 -10.5704 -1.0973 -1.0973 -0.5450 -0.5450 -0.2772 -0.2772 -0.1188 -0.1188 -0.1022 -0.1022 0.1098 0.1098 0.2909 0.2909 0.6560 0.6560 0.8499 0.8499 0.9421 0.9421 1.0162 1.0162 1.0790 1.0790 1.1375 1.1375 2.3640 2.3640 2.3914 2.3914 2.4008 2.4008 2.9563 2.9563 2.9713 2.9713 3.0658 3.0658 3.1050 3.1050 3.1552 3.1552 3.2187 3.2187 3.2982 3.2982 3.3769 3.3769 4.2893 4.2893 4.3096 4.3096 4.3515 4.3515 4.4431 4.4431 7.6866 7.6866 k = 0.0192 0.0096 0.0065 ( 8901 PWs) bands (ev): -11.4327 -11.4327 -10.7440 -10.7440 -10.5791 -10.5791 -10.5787 -10.5787 -10.5717 -10.5717 -10.5705 -10.5705 -1.1031 -1.1031 -0.5435 -0.5435 -0.2762 -0.2762 -0.1182 -0.1182 -0.1067 -0.1067 0.1049 0.1049 0.2883 0.2883 0.6651 0.6651 0.8433 0.8433 0.9410 0.9410 1.0192 1.0192 1.0781 1.0781 1.1380 1.1380 2.3661 2.3661 2.3934 2.3934 2.4067 2.4067 2.9728 2.9728 2.9743 2.9743 3.0658 3.0658 3.0986 3.0986 3.1567 3.1567 3.2175 3.2175 3.2966 3.2966 3.3754 3.3754 4.2923 4.2923 4.3203 4.3203 4.3418 4.3418 4.4407 4.4407 7.6736 7.6736 k = 0.0000 0.0000 0.0000 ( 8901 PWs) bands (ev): -11.4332 -11.4332 -10.7434 -10.7434 -10.5790 -10.5790 -10.5786 -10.5786 -10.5717 -10.5717 -10.5706 -10.5706 -1.1050 -1.1050 -0.5430 -0.5430 -0.2758 -0.2758 -0.1179 -0.1179 -0.1082 -0.1082 0.1032 0.1032 0.2873 0.2873 0.6683 0.6683 0.8408 0.8408 0.9406 0.9406 1.0202 1.0202 1.0778 1.0778 1.1381 1.1381 2.3669 2.3669 2.3940 2.3940 2.4087 2.4087 2.9732 2.9732 2.9810 2.9810 3.0658 3.0658 3.0959 3.0959 3.1573 3.1573 3.2171 3.2171 3.2960 3.2960 3.3749 3.3749 4.2933 4.2933 4.3288 4.3288 4.3337 4.3337 4.4399 4.4399 7.6693 7.6693 k = 0.0000 0.0000 0.0000 ( 8901 PWs) bands (ev): -11.4332 -11.4332 -10.7434 -10.7434 -10.5790 -10.5790 -10.5786 -10.5786 -10.5717 -10.5717 -10.5706 -10.5706 -1.1050 -1.1050 -0.5430 -0.5430 -0.2758 -0.2758 -0.1179 -0.1179 -0.1082 -0.1082 0.1032 0.1032 0.2873 0.2873 0.6683 0.6683 0.8408 0.8408 0.9406 0.9406 1.0202 1.0202 1.0778 1.0778 1.1381 1.1381 2.3669 2.3669 2.3940 2.3940 2.4087 2.4087 2.9732 2.9732 2.9810 2.9810 3.0658 3.0658 3.0959 3.0959 3.1573 3.1573 3.2171 3.2171 3.2960 3.2960 3.3749 3.3749 4.2933 4.2933 4.3288 4.3288 4.3337 4.3337 4.4399 4.4399 7.6693 7.6693 k = 0.0101-0.0076-0.0187 ( 8901 PWs) bands (ev): -11.4327 -11.4327 -10.7431 -10.7431 -10.5804 -10.5804 -10.5801 -10.5801 -10.5707 -10.5707 -10.5698 -10.5698 -1.1043 -1.1043 -0.5488 -0.5488 -0.2725 -0.2725 -0.1166 -0.1166 -0.1083 -0.1083 0.0983 0.0983 0.2949 0.2949 0.6702 0.6702 0.8419 0.8419 0.9408 0.9408 1.0200 1.0200 1.0787 1.0787 1.1390 1.1390 2.3655 2.3655 2.3865 2.3865 2.4130 2.4130 2.9665 2.9665 2.9786 2.9786 3.0645 3.0645 3.0988 3.0988 3.1594 3.1594 3.2191 3.2191 3.2961 3.2961 3.3748 3.3748 4.2909 4.2909 4.3308 4.3308 4.3329 4.3329 4.4398 4.4398 7.6741 7.6741 k = 0.0202-0.0151-0.0374 ( 8883 PWs) bands (ev): -11.4310 -11.4310 -10.7423 -10.7423 -10.5836 -10.5836 -10.5833 -10.5833 -10.5690 -10.5690 -10.5682 -10.5682 -1.1022 -1.1022 -0.5647 -0.5647 -0.2645 -0.2645 -0.1170 -0.1170 -0.1036 -0.1036 0.0859 0.0859 0.3153 0.3153 0.6756 0.6756 0.8451 0.8451 0.9416 0.9416 1.0196 1.0196 1.0811 1.0811 1.1419 1.1419 2.3604 2.3604 2.3727 2.3727 2.4182 2.4182 2.9472 2.9472 2.9727 2.9727 3.0620 3.0620 3.1054 3.1054 3.1651 3.1651 3.2248 3.2248 3.2961 3.2961 3.3745 3.3745 4.2848 4.2848 4.3304 4.3304 4.3357 4.3357 4.4396 4.4396 7.6885 7.6885 k = 0.0303-0.0227-0.0561 ( 8873 PWs) bands (ev): -11.4282 -11.4282 -10.7410 -10.7410 -10.5878 -10.5878 -10.5872 -10.5872 -10.5675 -10.5675 -10.5666 -10.5666 -1.0987 -1.0987 -0.5875 -0.5875 -0.2563 -0.2563 -0.1220 -0.1220 -0.0906 -0.0906 0.0712 0.0712 0.3442 0.3442 0.6845 0.6845 0.8497 0.8497 0.9432 0.9432 1.0190 1.0190 1.0849 1.0849 1.1469 1.1469 2.3465 2.3465 2.3610 2.3610 2.4208 2.4208 2.9189 2.9189 2.9633 2.9633 3.0600 3.0600 3.1121 3.1121 3.1734 3.1734 3.2332 3.2332 3.2963 3.2963 3.3740 3.3740 4.2768 4.2768 4.3264 4.3264 4.3416 4.3416 4.4392 4.4392 7.7122 7.7122 k = 0.0404-0.0302-0.0748 ( 8863 PWs) bands (ev): -11.4243 -11.4243 -10.7392 -10.7392 -10.5928 -10.5928 -10.5918 -10.5918 -10.5664 -10.5664 -10.5653 -10.5653 -1.0937 -1.0937 -0.6143 -0.6143 -0.2516 -0.2516 -0.1296 -0.1296 -0.0729 -0.0729 0.0599 0.0599 0.3783 0.3783 0.6965 0.6965 0.8549 0.8549 0.9458 0.9458 1.0188 1.0188 1.0898 1.0898 1.1545 1.1545 2.3234 2.3234 2.3521 2.3521 2.4204 2.4204 2.8848 2.8848 2.9510 2.9510 3.0592 3.0592 3.1177 3.1177 3.1832 3.1832 3.2431 3.2431 3.2967 3.2967 3.3734 3.3734 4.2679 4.2679 4.3209 4.3209 4.3476 4.3476 4.4389 4.4389 7.7448 7.7448 k = 0.0505-0.0378-0.0935 ( 8863 PWs) bands (ev): -11.4193 -11.4193 -10.7369 -10.7369 -10.5983 -10.5983 -10.5970 -10.5970 -10.5658 -10.5658 -10.5643 -10.5643 -1.0874 -1.0874 -0.6429 -0.6429 -0.2514 -0.2514 -0.1386 -0.1386 -0.0576 -0.0576 0.0591 0.0591 0.4154 0.4154 0.7115 0.7115 0.8596 0.8596 0.9497 0.9497 1.0192 1.0192 1.0957 1.0957 1.1649 1.1649 2.2946 2.2946 2.3422 2.3422 2.4170 2.4170 2.8472 2.8472 2.9361 2.9361 3.0599 3.0599 3.1217 3.1217 3.1938 3.1938 3.2529 3.2529 3.2979 3.2979 3.3728 3.3728 4.2584 4.2584 4.3143 4.3143 4.3532 4.3532 4.4388 4.4388 7.7858 7.7858 k = 0.0606-0.0453-0.1122 ( 8871 PWs) bands (ev): -11.4131 -11.4131 -10.7341 -10.7341 -10.6044 -10.6044 -10.6027 -10.6027 -10.5657 -10.5657 -10.5637 -10.5637 -1.0798 -1.0798 -0.6718 -0.6718 -0.2553 -0.2553 -0.1485 -0.1485 -0.0531 -0.0531 0.0764 0.0764 0.4540 0.4540 0.7289 0.7289 0.8632 0.8632 0.9545 0.9545 1.0210 1.0210 1.1030 1.1030 1.1782 1.1782 2.2602 2.2602 2.3307 2.3307 2.4107 2.4107 2.8077 2.8077 2.9194 2.9194 3.0619 3.0619 3.1244 3.1244 3.2044 3.2044 3.2614 3.2614 3.3005 3.3005 3.3720 3.3720 4.2487 4.2487 4.3067 4.3067 4.3579 4.3579 4.4389 4.4389 7.8345 7.8345 k = 0.0707-0.0529-0.1309 ( 8859 PWs) bands (ev): -11.4059 -11.4059 -10.7308 -10.7308 -10.6111 -10.6111 -10.6088 -10.6088 -10.5661 -10.5661 -10.5635 -10.5635 -1.0708 -1.0708 -0.7001 -0.7001 -0.2622 -0.2622 -0.1586 -0.1586 -0.0591 -0.0591 0.1099 0.1099 0.4933 0.4933 0.7477 0.7477 0.8661 0.8661 0.9591 0.9591 1.0243 1.0243 1.1122 1.1122 1.1944 1.1944 2.2199 2.2199 2.3177 2.3177 2.4020 2.4020 2.7679 2.7679 2.9011 2.9011 3.0648 3.0648 3.1263 3.1263 3.2148 3.2148 3.2671 3.2671 3.3053 3.3053 3.3714 3.3714 4.2390 4.2390 4.2986 4.2986 4.3617 4.3617 4.4395 4.4395 7.8901 7.8901 k = 0.0808-0.0604-0.1496 ( 8857 PWs) bands (ev): -11.3977 -11.3977 -10.7270 -10.7270 -10.6183 -10.6183 -10.6154 -10.6154 -10.5669 -10.5669 -10.5636 -10.5636 -1.0606 -1.0606 -0.7273 -0.7273 -0.2712 -0.2712 -0.1685 -0.1685 -0.0700 -0.0700 0.1528 0.1528 0.5323 0.5323 0.7661 0.7661 0.8696 0.8696 0.9627 0.9627 1.0291 1.0291 1.1242 1.1242 1.2134 1.2134 2.1731 2.1731 2.3034 2.3034 2.3912 2.3912 2.7287 2.7287 2.8816 2.8816 3.0684 3.0684 3.1275 3.1275 3.2243 3.2243 3.2699 3.2699 3.3122 3.3122 3.3709 3.3709 4.2293 4.2293 4.2902 4.2902 4.3645 4.3645 4.4405 4.4405 7.9517 7.9517 k = 0.0909-0.0680-0.1683 ( 8843 PWs) bands (ev): -11.3884 -11.3884 -10.7228 -10.7228 -10.6261 -10.6261 -10.6224 -10.6224 -10.5681 -10.5681 -10.5642 -10.5642 -1.0491 -1.0491 -0.7530 -0.7530 -0.2815 -0.2815 -0.1777 -0.1777 -0.0822 -0.0822 0.2005 0.2005 0.5705 0.5705 0.7811 0.7811 0.8768 0.8768 0.9651 0.9651 1.0346 1.0346 1.1398 1.1398 1.2350 1.2350 2.1199 2.1199 2.2879 2.2879 2.3789 2.3789 2.6910 2.6910 2.8609 2.8609 3.0725 3.0725 3.1282 3.1282 3.2329 3.2329 3.2707 3.2707 3.3201 3.3201 3.3708 3.3708 4.2199 4.2199 4.2821 4.2821 4.3662 4.3662 4.4420 4.4420 8.0184 8.0184 k = 0.1010-0.0755-0.1870 ( 8845 PWs) bands (ev): -11.3781 -11.3781 -10.7182 -10.7182 -10.6343 -10.6343 -10.6298 -10.6298 -10.5698 -10.5698 -10.5651 -10.5651 -1.0364 -1.0364 -0.7767 -0.7767 -0.2925 -0.2925 -0.1858 -0.1858 -0.0942 -0.0942 0.2504 0.2504 0.6072 0.6072 0.7889 0.7889 0.8905 0.8905 0.9673 0.9673 1.0400 1.0400 1.1588 1.1588 1.2588 1.2588 2.0603 2.0603 2.2715 2.2715 2.3655 2.3655 2.6553 2.6553 2.8391 2.8391 3.0769 3.0769 3.1286 3.1286 3.2400 3.2400 3.2705 3.2705 3.3280 3.3280 3.3713 3.3713 4.2109 4.2109 4.2744 4.2744 4.3668 4.3668 4.4438 4.4438 8.0893 8.0893 k = 0.1112-0.0831-0.2057 ( 8843 PWs) bands (ev): -11.3668 -11.3668 -10.7132 -10.7132 -10.6430 -10.6430 -10.6377 -10.6377 -10.5718 -10.5718 -10.5664 -10.5664 -1.0227 -1.0227 -0.7984 -0.7984 -0.3038 -0.3038 -0.1928 -0.1928 -0.1052 -0.1052 0.3012 0.3012 0.6422 0.6422 0.7891 0.7891 0.9092 0.9092 0.9713 0.9713 1.0456 1.0456 1.1806 1.1806 1.2848 1.2848 1.9952 1.9952 2.2543 2.2543 2.3515 2.3515 2.6218 2.6218 2.8160 2.8160 3.0816 3.0816 3.1288 3.1288 3.2450 3.2450 3.2704 3.2704 3.3350 3.3350 3.3726 3.3726 4.2026 4.2026 4.2675 4.2675 4.3665 4.3665 4.4460 4.4460 8.1632 8.1632 k = 0.1213-0.0906-0.2244 ( 8845 PWs) bands (ev): -11.3545 -11.3545 -10.7079 -10.7079 -10.6521 -10.6521 -10.6458 -10.6458 -10.5743 -10.5743 -10.5680 -10.5680 -1.0079 -1.0079 -0.8179 -0.8179 -0.3149 -0.3149 -0.1985 -0.1985 -0.1146 -0.1146 0.3515 0.3515 0.6748 0.6748 0.7840 0.7840 0.9264 0.9264 0.9804 0.9804 1.0528 1.0528 1.2040 1.2040 1.3128 1.3128 1.9256 1.9256 2.2367 2.2367 2.3371 2.3371 2.5904 2.5904 2.7916 2.7916 3.0862 3.0862 3.1288 3.1288 3.2472 3.2472 3.2715 3.2715 3.3407 3.3407 3.3751 3.3751 4.1951 4.1951 4.2617 4.2617 4.3652 4.3652 4.4482 4.4482 8.2391 8.2391 k = 0.1314-0.0982-0.2431 ( 8839 PWs) bands (ev): -11.3413 -11.3413 -10.7022 -10.7022 -10.6616 -10.6616 -10.6544 -10.6544 -10.5771 -10.5771 -10.5700 -10.5700 -0.9923 -0.9923 -0.8348 -0.8348 -0.3254 -0.3254 -0.2030 -0.2030 -0.1223 -0.1223 0.4005 0.4005 0.7033 0.7033 0.7776 0.7776 0.9367 0.9367 0.9945 0.9945 1.0651 1.0651 1.2276 1.2276 1.3426 1.3426 1.8529 1.8529 2.2187 2.2187 2.3227 2.3227 2.5612 2.5612 2.7660 2.7660 3.0907 3.0907 3.1287 3.1287 3.2464 3.2464 3.2741 3.2741 3.3448 3.3448 3.3788 3.3788 4.1888 4.1888 4.2571 4.2571 4.3631 4.3631 4.4505 4.4505 8.3158 8.3158 k = 0.1415-0.1057-0.2618 ( 8827 PWs) bands (ev): -11.3272 -11.3272 -10.6963 -10.6963 -10.6715 -10.6715 -10.6631 -10.6631 -10.5802 -10.5802 -10.5722 -10.5722 -0.9760 -0.9760 -0.8491 -0.8491 -0.3352 -0.3352 -0.2062 -0.2062 -0.1277 -0.1277 0.4471 0.4471 0.7208 0.7208 0.7778 0.7778 0.9422 0.9422 1.0066 1.0066 1.0862 1.0862 1.2500 1.2500 1.3740 1.3740 1.7792 1.7792 2.2005 2.2005 2.3086 2.3086 2.5338 2.5338 2.7391 2.7391 3.0949 3.0949 3.1286 3.1286 3.2435 3.2435 3.2774 3.2774 3.3476 3.3476 3.3834 3.3834 4.1839 4.1839 4.2538 4.2538 4.3603 4.3603 4.4527 4.4527 8.3920 8.3920 k = 0.1516-0.1133-0.2805 ( 8827 PWs) bands (ev): -11.3123 -11.3123 -10.6906 -10.6906 -10.6815 -10.6815 -10.6719 -10.6719 -10.5836 -10.5836 -10.5748 -10.5748 -0.9594 -0.9594 -0.8603 -0.8603 -0.3440 -0.3440 -0.2084 -0.2084 -0.1307 -0.1307 0.4905 0.4905 0.7190 0.7190 0.7930 0.7930 0.9473 0.9473 1.0131 1.0131 1.1150 1.1150 1.2694 1.2694 1.4066 1.4066 1.7072 1.7072 2.1822 2.1822 2.2948 2.2948 2.5083 2.5083 2.7111 2.7111 3.0985 3.0985 3.1286 3.1286 3.2395 3.2395 3.2806 3.2806 3.3496 3.3496 3.3885 3.3885 4.1804 4.1804 4.2518 4.2518 4.3568 4.3568 4.4547 4.4547 8.4664 8.4664 k = 0.1617-0.1209-0.2992 ( 8827 PWs) bands (ev): -11.2965 -11.2965 -10.6927 -10.6927 -10.6864 -10.6864 -10.6784 -10.6784 -10.5873 -10.5873 -10.5776 -10.5776 -0.9434 -0.9434 -0.8678 -0.8678 -0.3517 -0.3517 -0.2096 -0.2096 -0.1311 -0.1311 0.5298 0.5298 0.7054 0.7054 0.8148 0.8148 0.9550 0.9550 1.0158 1.0158 1.1464 1.1464 1.2830 1.2830 1.4399 1.4399 1.6416 1.6416 2.1639 2.1639 2.2814 2.2814 2.4846 2.4846 2.6822 2.6822 3.1012 3.1012 3.1290 3.1290 3.2347 3.2347 3.2832 3.2832 3.3514 3.3514 3.3937 3.3937 4.1784 4.1784 4.2512 4.2512 4.3527 4.3527 4.4564 4.4564 8.5373 8.5373 k = 0.1718-0.1284-0.3179 ( 8819 PWs) bands (ev): -11.2799 -11.2799 -10.7033 -10.7033 -10.6930 -10.6930 -10.6749 -10.6749 -10.5912 -10.5912 -10.5806 -10.5806 -0.9296 -0.9296 -0.8698 -0.8698 -0.3583 -0.3583 -0.2100 -0.2100 -0.1285 -0.1285 0.5642 0.5642 0.6874 0.6874 0.8344 0.8344 0.9669 0.9669 1.0177 1.0177 1.1758 1.1758 1.2862 1.2862 1.4721 1.4721 1.5904 1.5904 2.1456 2.1456 2.2687 2.2687 2.4626 2.4626 2.6526 2.6526 3.1026 3.1026 3.1301 3.1301 3.2296 3.2296 3.2850 3.2850 3.3532 3.3532 3.3987 3.3987 4.1780 4.1780 4.2520 4.2520 4.3481 4.3481 4.4578 4.4578 8.6023 8.6023 k = 0.1819-0.1360-0.3366 ( 8812 PWs) bands (ev): -11.2626 -11.2626 -10.7143 -10.7143 -10.7025 -10.7025 -10.6684 -10.6684 -10.5953 -10.5953 -10.5839 -10.5839 -0.9202 -0.9202 -0.8644 -0.8644 -0.3635 -0.3635 -0.2097 -0.2097 -0.1230 -0.1230 0.5918 0.5918 0.6687 0.6687 0.8482 0.8482 0.9807 0.9807 1.0231 1.0231 1.1978 1.1978 1.2759 1.2759 1.4981 1.4981 1.5671 1.5671 2.1274 2.1274 2.2566 2.2566 2.4422 2.4422 2.6227 2.6227 3.1024 3.1024 3.1320 3.1320 3.2244 3.2244 3.2861 3.2861 3.3551 3.3551 3.4036 3.4036 4.1791 4.1791 4.2541 4.2541 4.3431 4.3431 4.4588 4.4588 8.6572 8.6572 k = 0.1920-0.1435-0.3553 ( 8798 PWs) bands (ev): -11.2446 -11.2446 -10.7256 -10.7256 -10.7125 -10.7125 -10.6616 -10.6616 -10.5996 -10.5996 -10.5873 -10.5873 -0.9153 -0.9153 -0.8515 -0.8515 -0.3675 -0.3675 -0.2086 -0.2086 -0.1146 -0.1146 0.6054 0.6054 0.6574 0.6574 0.8563 0.8563 0.9875 0.9875 1.0385 1.0385 1.1969 1.1969 1.2658 1.2658 1.5116 1.5116 1.5804 1.5804 2.1095 2.1095 2.2450 2.2450 2.4234 2.4234 2.5928 2.5928 3.1008 3.1008 3.1346 3.1346 3.2192 3.2192 3.2863 3.2863 3.3572 3.3572 3.4081 3.4081 4.1814 4.1814 4.2574 4.2574 4.3378 4.3378 4.4594 4.4594 8.6926 8.6926 k = 0.2021-0.1511-0.3740 ( 8792 PWs) bands (ev): -11.2259 -11.2259 -10.7370 -10.7370 -10.7227 -10.7227 -10.6546 -10.6546 -10.6040 -10.6040 -10.5910 -10.5910 -0.9125 -0.9125 -0.8336 -0.8336 -0.3702 -0.3702 -0.2066 -0.2066 -0.1035 -0.1035 0.5941 0.5941 0.6644 0.6644 0.8601 0.8601 0.9844 0.9844 1.0594 1.0594 1.1661 1.1661 1.2747 1.2747 1.5233 1.5233 1.6132 1.6132 2.0920 2.0920 2.2340 2.2340 2.4061 2.4061 2.5632 2.5632 3.0979 3.0979 3.1376 3.1376 3.2143 3.2143 3.2858 3.2858 3.3594 3.3594 3.4125 3.4125 4.1848 4.1848 4.2619 4.2619 4.3324 4.3324 4.4597 4.4597 8.6978 8.6978 k = 0.2122-0.1586-0.3927 ( 8798 PWs) bands (ev): -11.2067 -11.2067 -10.7486 -10.7486 -10.7330 -10.7330 -10.6476 -10.6476 -10.6084 -10.6084 -10.5947 -10.5947 -0.9097 -0.9097 -0.8132 -0.8132 -0.3716 -0.3716 -0.2038 -0.2038 -0.0898 -0.0898 0.5692 0.5692 0.6786 0.6786 0.8608 0.8608 0.9727 0.9727 1.0637 1.0637 1.1451 1.1451 1.2907 1.2907 1.5382 1.5382 1.6518 1.6518 2.0751 2.0751 2.2233 2.2233 2.3901 2.3901 2.5344 2.5344 3.0939 3.0939 3.1408 3.1408 3.2096 3.2096 3.2848 3.2848 3.3618 3.3618 3.4165 3.4165 4.1889 4.1889 4.2671 4.2671 4.3272 4.3272 4.4595 4.4595 8.6816 8.6816 k = 0.2223-0.1662-0.4114 ( 8796 PWs) bands (ev): -11.1869 -11.1869 -10.7602 -10.7602 -10.7434 -10.7434 -10.6410 -10.6410 -10.6127 -10.6127 -10.5984 -10.5984 -0.9058 -0.9058 -0.7914 -0.7914 -0.3718 -0.3718 -0.2000 -0.2000 -0.0738 -0.0738 0.5393 0.5393 0.6910 0.6910 0.8575 0.8575 0.9499 0.9499 1.0426 1.0426 1.1575 1.1575 1.3084 1.3084 1.5540 1.5540 1.6923 1.6923 2.0592 2.0592 2.2129 2.2129 2.3755 2.3755 2.5067 2.5067 3.0892 3.0892 3.1440 3.1440 3.2054 3.2054 3.2833 3.2833 3.3641 3.3641 3.4205 3.4205 4.1933 4.1933 4.2728 4.2728 4.3227 4.3227 4.4590 4.4590 8.6580 8.6580 k = 0.2324-0.1737-0.4301 ( 8794 PWs) bands (ev): -11.1667 -11.1667 -10.7719 -10.7719 -10.7538 -10.7538 -10.6353 -10.6353 -10.6164 -10.6164 -10.6021 -10.6021 -0.9005 -0.9005 -0.7689 -0.7689 -0.3708 -0.3708 -0.1951 -0.1951 -0.0559 -0.0559 0.5064 0.5064 0.6989 0.6989 0.8447 0.8447 0.9218 0.9218 1.0243 1.0243 1.1791 1.1791 1.3281 1.3281 1.5685 1.5685 1.7330 1.7330 2.0447 2.0447 2.2029 2.2029 2.3619 2.3619 2.4804 2.4804 3.0839 3.0839 3.1470 3.1470 3.2017 3.2017 3.2814 3.2814 3.3662 3.3662 3.4242 3.4242 4.1975 4.1975 4.2781 4.2781 4.3199 4.3199 4.4581 4.4581 8.6337 8.6337 k = 0.2425-0.1813-0.4488 ( 8790 PWs) bands (ev): -11.1460 -11.1460 -10.7835 -10.7835 -10.7643 -10.7643 -10.6321 -10.6321 -10.6183 -10.6183 -10.6053 -10.6053 -0.8936 -0.8936 -0.7461 -0.7461 -0.3688 -0.3688 -0.1890 -0.1890 -0.0364 -0.0364 0.4714 0.4714 0.6993 0.6993 0.8164 0.8164 0.9060 0.9060 1.0132 1.0132 1.1979 1.1979 1.3502 1.3502 1.5804 1.5804 1.7727 1.7727 2.0319 2.0319 2.1932 2.1932 2.3494 2.3494 2.4557 2.4557 3.0784 3.0784 3.1497 3.1497 3.1986 3.1986 3.2794 3.2794 3.3682 3.3682 3.4280 3.4280 4.2009 4.2009 4.2821 4.2821 4.3197 4.3197 4.4569 4.4569 8.6110 8.6110 k = 0.2526-0.1888-0.4675 ( 8794 PWs) bands (ev): -11.1249 -11.1249 -10.7952 -10.7952 -10.7747 -10.7747 -10.6332 -10.6332 -10.6179 -10.6179 -10.6066 -10.6066 -0.8852 -0.8852 -0.7235 -0.7235 -0.3659 -0.3659 -0.1819 -0.1819 -0.0159 -0.0159 0.4349 0.4349 0.6862 0.6862 0.7860 0.7860 0.9026 0.9026 1.0060 1.0060 1.2114 1.2114 1.3744 1.3744 1.5890 1.5890 1.8101 1.8101 2.0212 2.0212 2.1840 2.1840 2.3378 2.3378 2.4326 2.4326 3.0729 3.0729 3.1516 3.1516 3.1964 3.1964 3.2772 3.2772 3.3699 3.3699 3.4316 3.4316 4.2028 4.2028 4.2843 4.2843 4.3228 4.3228 4.4555 4.4555 8.5911 8.5911 k = 0.2627-0.1964-0.4862 ( 8798 PWs) bands (ev): -11.1036 -11.1036 -10.8067 -10.8067 -10.7850 -10.7850 -10.6369 -10.6369 -10.6193 -10.6193 -10.6040 -10.6040 -0.8753 -0.8753 -0.7013 -0.7013 -0.3622 -0.3622 -0.1736 -0.1736 0.0049 0.0049 0.3981 0.3981 0.6554 0.6554 0.7686 0.7686 0.9044 0.9044 1.0005 1.0005 1.2200 1.2200 1.3987 1.3987 1.5944 1.5944 1.8443 1.8443 2.0130 2.0130 2.1752 2.1752 2.3272 2.3272 2.4112 2.4112 3.0679 3.0679 3.1526 3.1526 3.1952 3.1952 3.2749 3.2749 3.3713 3.3713 3.4352 3.4352 4.2028 4.2028 4.2854 4.2854 4.3287 4.3287 4.4539 4.4539 8.5749 8.5749 k = 0.2728-0.2039-0.5049 ( 8792 PWs) bands (ev): -11.0821 -11.0821 -10.8181 -10.8181 -10.7953 -10.7953 -10.6413 -10.6413 -10.6225 -10.6225 -10.5988 -10.5988 -0.8640 -0.8640 -0.6802 -0.6802 -0.3578 -0.3578 -0.1642 -0.1642 0.0248 0.0248 0.3626 0.3626 0.6145 0.6145 0.7617 0.7617 0.9080 0.9080 0.9962 0.9962 1.2251 1.2251 1.4210 1.4210 1.5970 1.5970 1.8740 1.8740 2.0074 2.0074 2.1671 2.1671 2.3178 2.3178 2.3914 2.3914 3.0635 3.0635 3.1523 3.1523 3.1953 3.1953 3.2726 3.2726 3.3724 3.3724 3.4389 3.4389 4.2004 4.2004 4.2867 4.2867 4.3360 4.3360 4.4523 4.4523 8.5626 8.5626 k = 0.2829-0.2115-0.5236 ( 8802 PWs) bands (ev): -11.0604 -11.0604 -10.8293 -10.8293 -10.8053 -10.8053 -10.6460 -10.6460 -10.6264 -10.6264 -10.5930 -10.5930 -0.8517 -0.8517 -0.6606 -0.6606 -0.3530 -0.3530 -0.1537 -0.1537 0.0420 0.0420 0.3313 0.3313 0.5718 0.5718 0.7591 0.7591 0.9119 0.9119 0.9925 0.9925 1.2280 1.2280 1.4391 1.4391 1.5976 1.5976 1.8984 1.8984 2.0046 2.0046 2.1593 2.1593 2.3100 2.3100 2.3731 2.3731 3.0602 3.0602 3.1504 3.1504 3.1967 3.1967 3.2702 3.2702 3.3731 3.3731 3.4424 3.4424 4.1957 4.1957 4.2886 4.2886 4.3436 4.3436 4.4506 4.4506 8.5547 8.5547 k = 0.2930-0.2190-0.5423 ( 8808 PWs) bands (ev): -11.0386 -11.0386 -10.8403 -10.8403 -10.8152 -10.8152 -10.6508 -10.6508 -10.6305 -10.6305 -10.5871 -10.5871 -0.8385 -0.8385 -0.6432 -0.6432 -0.3477 -0.3477 -0.1422 -0.1422 0.0543 0.0543 0.3078 0.3078 0.5308 0.5308 0.7582 0.7582 0.9153 0.9153 0.9895 0.9895 1.2294 1.2294 1.4513 1.4513 1.5973 1.5973 1.9167 1.9167 2.0045 2.0045 2.1519 2.1519 2.3043 2.3043 2.3561 2.3561 3.0583 3.0583 3.1472 3.1472 3.1993 3.1993 3.2678 3.2678 3.3735 3.3735 3.4460 3.4460 4.1892 4.1892 4.2912 4.2912 4.3509 4.3509 4.4490 4.4490 8.5513 8.5513 k = 0.3031-0.2266-0.5610 ( 8810 PWs) bands (ev): -11.0169 -11.0169 -10.8511 -10.8511 -10.8247 -10.8247 -10.6556 -10.6556 -10.6347 -10.6347 -10.5814 -10.5814 -0.8247 -0.8247 -0.6289 -0.6289 -0.3420 -0.3420 -0.1297 -0.1297 0.0594 0.0594 0.2956 0.2956 0.4927 0.4927 0.7582 0.7582 0.9178 0.9178 0.9869 0.9869 1.2300 1.2300 1.4571 1.4571 1.5966 1.5966 1.9289 1.9289 2.0061 2.0061 2.1446 2.1446 2.3006 2.3006 2.3406 2.3406 3.0580 3.0580 3.1429 3.1429 3.2027 3.2027 3.2654 3.2654 3.3737 3.3737 3.4495 3.4495 4.1812 4.1812 4.2941 4.2941 4.3572 4.3572 4.4476 4.4476 8.5525 8.5525 k = 0.3132-0.2342-0.5797 ( 8804 PWs) bands (ev): -10.9952 -10.9952 -10.8616 -10.8616 -10.8340 -10.8340 -10.6603 -10.6603 -10.6388 -10.6388 -10.5759 -10.5759 -0.8107 -0.8107 -0.6184 -0.6184 -0.3356 -0.3356 -0.1164 -0.1164 0.0570 0.0570 0.2960 0.2960 0.4582 0.4582 0.7589 0.7589 0.9190 0.9190 0.9846 0.9846 1.2300 1.2300 1.4568 1.4568 1.5955 1.5955 1.9357 1.9357 2.0079 2.0079 2.1375 2.1375 2.2982 2.2982 2.3276 2.3276 3.0593 3.0593 3.1379 3.1379 3.2064 3.2064 3.2630 3.2630 3.3736 3.3736 3.4529 3.4529 4.1724 4.1724 4.2969 4.2969 4.3625 4.3625 4.4464 4.4464 8.5582 8.5582 k = 0.3233-0.2417-0.5984 ( 8806 PWs) bands (ev): -10.9738 -10.9738 -10.8717 -10.8717 -10.8430 -10.8430 -10.6649 -10.6649 -10.6429 -10.6429 -10.5709 -10.5709 -0.7972 -0.7972 -0.6125 -0.6125 -0.3281 -0.3281 -0.1027 -0.1027 0.0499 0.0499 0.3064 0.3064 0.4282 0.4282 0.7604 0.7604 0.9188 0.9188 0.9826 0.9826 1.2291 1.2291 1.4522 1.4522 1.5934 1.5934 1.9380 1.9380 2.0080 2.0080 2.1310 2.1310 2.2941 2.2941 2.3198 2.3198 3.0622 3.0622 3.1326 3.1326 3.2098 3.2098 3.2609 3.2609 3.3733 3.3733 3.4563 3.4563 4.1630 4.1630 4.2994 4.2994 4.3663 4.3663 4.4453 4.4453 8.5682 8.5682 k = 0.3335-0.2493-0.6171 ( 8820 PWs) bands (ev): -10.9528 -10.9528 -10.8815 -10.8815 -10.8515 -10.8515 -10.6694 -10.6694 -10.6469 -10.6469 -10.5662 -10.5662 -0.7849 -0.7849 -0.6112 -0.6112 -0.3190 -0.3190 -0.0888 -0.0888 0.0421 0.0421 0.3208 0.3208 0.4055 0.4055 0.7628 0.7628 0.9173 0.9173 0.9810 0.9810 1.2269 1.2269 1.4451 1.4451 1.5896 1.5896 1.9359 1.9359 2.0054 2.0054 2.1255 2.1255 2.2858 2.2858 2.3196 2.3196 3.0662 3.0662 3.1275 3.1275 3.2126 3.2126 3.2592 3.2592 3.3729 3.3729 3.4595 3.4595 4.1535 4.1535 4.3013 4.3013 4.3687 4.3687 4.4442 4.4442 8.5822 8.5822 k = 0.3436-0.2568-0.6358 ( 8820 PWs) bands (ev): -10.9325 -10.9325 -10.8907 -10.8907 -10.8593 -10.8593 -10.6738 -10.6738 -10.6508 -10.6508 -10.5621 -10.5621 -0.7750 -0.7750 -0.6137 -0.6137 -0.3080 -0.3080 -0.0754 -0.0754 0.0366 0.0366 0.3278 0.3278 0.3984 0.3984 0.7663 0.7663 0.9147 0.9147 0.9798 0.9798 1.2228 1.2228 1.4374 1.4374 1.5838 1.5838 1.9293 1.9293 1.9997 1.9997 2.1212 2.1212 2.2754 2.2754 2.3246 2.3246 3.0706 3.0706 3.1233 3.1233 3.2143 3.2143 3.2583 3.2583 3.3724 3.3724 3.4626 3.4626 4.1441 4.1441 4.3024 4.3024 4.3698 4.3698 4.4431 4.4431 8.5994 8.5994 k = 0.3537-0.2644-0.6545 ( 8816 PWs) bands (ev): -10.9139 -10.9139 -10.8990 -10.8990 -10.8660 -10.8660 -10.6779 -10.6779 -10.6546 -10.6546 -10.5585 -10.5585 -0.7694 -0.7694 -0.6180 -0.6180 -0.2949 -0.2949 -0.0631 -0.0631 0.0350 0.0350 0.3199 0.3199 0.4130 0.4130 0.7708 0.7708 0.9110 0.9110 0.9792 0.9792 1.2159 1.2159 1.4304 1.4304 1.5761 1.5761 1.9181 1.9181 1.9906 1.9906 2.1183 2.1183 2.2651 2.2651 2.3324 2.3324 3.0739 3.0739 3.1212 3.1212 3.2146 3.2146 3.2584 3.2584 3.3717 3.3717 3.4656 3.4656 4.1351 4.1351 4.3027 4.3027 4.3695 4.3695 4.4418 4.4418 8.6191 8.6191 k = 0.3638-0.2719-0.6732 ( 8828 PWs) bands (ev): -10.9099 -10.9099 -10.8958 -10.8958 -10.8692 -10.8692 -10.6819 -10.6819 -10.6582 -10.6582 -10.5554 -10.5554 -0.7699 -0.7699 -0.6213 -0.6213 -0.2800 -0.2800 -0.0524 -0.0524 0.0374 0.0374 0.3061 0.3061 0.4391 0.4391 0.7764 0.7764 0.9065 0.9065 0.9795 0.9795 1.2058 1.2058 1.4248 1.4248 1.5671 1.5671 1.9030 1.9030 1.9779 1.9779 2.1170 2.1170 2.2554 2.2554 2.3421 2.3421 3.0747 3.0747 3.1222 3.1222 3.2137 3.2137 3.2595 3.2595 3.3710 3.3710 3.4683 3.4683 4.1266 4.1266 4.3022 4.3022 4.3681 4.3681 4.4403 4.4403 8.6402 8.6402 k = 0.6362-0.0214-0.5043 ( 8828 PWs) bands (ev): -10.9099 -10.9099 -10.8958 -10.8958 -10.8692 -10.8692 -10.6819 -10.6819 -10.6582 -10.6582 -10.5554 -10.5554 -0.7699 -0.7699 -0.6213 -0.6213 -0.2800 -0.2800 -0.0524 -0.0524 0.0374 0.0374 0.3061 0.3061 0.4391 0.4391 0.7764 0.7764 0.9065 0.9065 0.9795 0.9795 1.2058 1.2058 1.4248 1.4248 1.5671 1.5671 1.9030 1.9030 1.9779 1.9779 2.1170 2.1170 2.2554 2.2554 2.3421 2.3421 3.0747 3.0747 3.1222 3.1222 3.2137 3.2137 3.2595 3.2595 3.3710 3.3710 3.4683 3.4683 4.1266 4.1266 4.3022 4.3022 4.3681 4.3681 4.4403 4.4403 8.6402 8.6402 k = 0.6265-0.0020-0.5043 ( 8822 PWs) bands (ev): -10.9169 -10.9169 -10.8913 -10.8913 -10.8623 -10.8623 -10.6856 -10.6856 -10.6615 -10.6615 -10.5530 -10.5530 -0.7776 -0.7776 -0.6212 -0.6212 -0.2640 -0.2640 -0.0438 -0.0438 0.0424 0.0424 0.2940 0.2940 0.4680 0.4680 0.7828 0.7828 0.9018 0.9018 0.9810 0.9810 1.1929 1.1929 1.4202 1.4202 1.5581 1.5581 1.8856 1.8856 1.9619 1.9619 2.1170 2.1170 2.2467 2.2467 2.3528 2.3528 3.0727 3.0727 3.1260 3.1260 3.2122 3.2122 3.2613 3.2613 3.3703 3.3703 3.4708 3.4708 4.1190 4.1190 4.3011 4.3011 4.3656 4.3656 4.4385 4.4385 8.6605 8.6605 k = 0.6168 0.0174-0.5043 ( 8820 PWs) bands (ev): -10.9241 -10.9241 -10.8945 -10.8945 -10.8475 -10.8475 -10.6890 -10.6890 -10.6646 -10.6646 -10.5511 -10.5511 -0.7917 -0.7917 -0.6173 -0.6173 -0.2470 -0.2470 -0.0366 -0.0366 0.0484 0.0484 0.2858 0.2858 0.4981 0.4981 0.7899 0.7899 0.8971 0.8971 0.9837 0.9837 1.1772 1.1772 1.4153 1.4153 1.5500 1.5500 1.8663 1.8663 1.9424 1.9424 2.1181 2.1181 2.2383 2.2383 2.3644 2.3644 3.0685 3.0685 3.1312 3.1312 3.2108 3.2108 3.2637 3.2637 3.3694 3.3694 3.4731 3.4731 4.1122 4.1122 4.2995 4.2995 4.3621 4.3621 4.4366 4.4366 8.6795 8.6795 k = 0.6070 0.0368-0.5043 ( 8826 PWs) bands (ev): -10.9308 -10.9308 -10.8994 -10.8994 -10.8310 -10.8310 -10.6922 -10.6922 -10.6676 -10.6676 -10.5497 -10.5497 -0.8106 -0.8106 -0.6104 -0.6104 -0.2294 -0.2294 -0.0305 -0.0305 0.0537 0.0537 0.2826 0.2826 0.5283 0.5283 0.7970 0.7970 0.8934 0.8934 0.9880 0.9880 1.1592 1.1592 1.4084 1.4084 1.5441 1.5441 1.8457 1.8457 1.9200 1.9200 2.1200 2.1200 2.2301 2.2301 2.3768 2.3768 3.0630 3.0630 3.1362 3.1362 3.2103 3.2103 3.2663 3.2663 3.3684 3.3684 3.4752 3.4752 4.1063 4.1063 4.2974 4.2974 4.3577 4.3577 4.4345 4.4345 8.6958 8.6958 k = 0.5973 0.0563-0.5043 ( 8818 PWs) bands (ev): -10.9371 -10.9371 -10.9045 -10.9045 -10.8147 -10.8147 -10.6952 -10.6952 -10.6703 -10.6703 -10.5489 -10.5489 -0.8321 -0.8321 -0.6017 -0.6017 -0.2115 -0.2115 -0.0254 -0.0254 0.0571 0.0571 0.2850 0.2850 0.5576 0.5576 0.8034 0.8034 0.8916 0.8916 0.9939 0.9939 1.1397 1.1397 1.3980 1.3980 1.5417 1.5417 1.8244 1.8244 1.8958 1.8958 2.1223 2.1223 2.2218 2.2218 2.3896 2.3896 3.0569 3.0569 3.1398 3.1398 3.2113 3.2113 3.2692 3.2692 3.3673 3.3673 3.4771 3.4771 4.1012 4.1012 4.2950 4.2950 4.3523 4.3523 4.4325 4.4325 8.7085 8.7085 k = 0.5876 0.0757-0.5043 ( 8820 PWs) bands (ev): -10.9428 -10.9428 -10.9094 -10.9094 -10.7990 -10.7990 -10.6979 -10.6979 -10.6728 -10.6728 -10.5486 -10.5486 -0.8547 -0.8547 -0.5923 -0.5923 -0.1937 -0.1937 -0.0211 -0.0211 0.0582 0.0582 0.2925 0.2925 0.5857 0.5857 0.8080 0.8080 0.8930 0.8930 1.0014 1.0014 1.1194 1.1194 1.3834 1.3834 1.5430 1.5430 1.8024 1.8024 1.8711 1.8711 2.1247 2.1247 2.2136 2.2136 2.4025 2.4025 3.0505 3.0505 3.1412 3.1412 3.2141 3.2141 3.2724 3.2724 3.3660 3.3660 3.4788 3.4788 4.0971 4.0971 4.2925 4.2925 4.3462 4.3462 4.4305 4.4305 8.7175 8.7175 k = 0.5778 0.0951-0.5043 ( 8814 PWs) bands (ev): -10.9480 -10.9480 -10.9139 -10.9139 -10.7843 -10.7843 -10.7004 -10.7004 -10.6751 -10.6751 -10.5488 -10.5488 -0.8769 -0.8769 -0.5828 -0.5828 -0.1763 -0.1763 -0.0176 -0.0176 0.0572 0.0572 0.3042 0.3042 0.6120 0.6120 0.8099 0.8099 0.8983 0.8983 1.0104 1.0104 1.0991 1.0991 1.3648 1.3648 1.5477 1.5477 1.7795 1.7795 1.8471 1.8471 2.1271 2.1271 2.2053 2.2053 2.4151 2.4151 3.0441 3.0441 3.1407 3.1407 3.2181 3.2181 3.2759 3.2759 3.3645 3.3645 3.4803 3.4803 4.0938 4.0938 4.2900 4.2900 4.3393 4.3393 4.4287 4.4287 8.7229 8.7229 k = 0.5681 0.1145-0.5043 ( 8818 PWs) bands (ev): -10.9526 -10.9526 -10.9179 -10.9179 -10.7706 -10.7706 -10.7026 -10.7026 -10.6771 -10.6771 -10.5494 -10.5494 -0.8980 -0.8980 -0.5738 -0.5738 -0.1600 -0.1600 -0.0146 -0.0146 0.0547 0.0547 0.3188 0.3188 0.6361 0.6361 0.8097 0.8097 0.9068 0.9068 1.0200 1.0200 1.0806 1.0806 1.3430 1.3430 1.5548 1.5548 1.7556 1.7556 1.8252 1.8252 2.1294 2.1294 2.1972 2.1972 2.4272 2.4272 3.0378 3.0378 3.1389 3.1389 3.2227 3.2227 3.2799 3.2799 3.3628 3.3628 3.4816 3.4816 4.0913 4.0913 4.2877 4.2877 4.3320 4.3320 4.4270 4.4270 8.7255 8.7255 k = 0.5584 0.1340-0.5043 ( 8812 PWs) bands (ev): -10.9566 -10.9566 -10.9214 -10.9214 -10.7581 -10.7581 -10.7045 -10.7045 -10.6789 -10.6789 -10.5504 -10.5504 -0.9172 -0.9172 -0.5656 -0.5656 -0.1449 -0.1449 -0.0121 -0.0121 0.0512 0.0512 0.3347 0.3347 0.6574 0.6574 0.8088 0.8088 0.9166 0.9166 1.0274 1.0274 1.0675 1.0675 1.3191 1.3191 1.5632 1.5632 1.7309 1.7309 1.8063 1.8063 2.1314 2.1314 2.1893 2.1893 2.4385 2.4385 3.0318 3.0318 3.1363 3.1363 3.2272 3.2272 3.2843 3.2843 3.3608 3.3608 3.4827 3.4827 4.0897 4.0897 4.2857 4.2857 4.3246 4.3246 4.4256 4.4256 8.7260 8.7260 k = 0.5487 0.1534-0.5043 ( 8824 PWs) bands (ev): -10.9600 -10.9600 -10.9244 -10.9244 -10.7471 -10.7471 -10.7062 -10.7062 -10.6805 -10.6805 -10.5515 -10.5515 -0.9342 -0.9342 -0.5584 -0.5584 -0.1316 -0.1316 -0.0095 -0.0095 0.0472 0.0472 0.3508 0.3508 0.6753 0.6753 0.8089 0.8089 0.9248 0.9248 1.0270 1.0270 1.0671 1.0671 1.2940 1.2940 1.5721 1.5721 1.7060 1.7060 1.7906 1.7906 2.1334 2.1334 2.1819 2.1819 2.4486 2.4486 3.0262 3.0262 3.1336 3.1336 3.2310 3.2310 3.2891 3.2891 3.3585 3.3585 3.4835 3.4835 4.0886 4.0886 4.2842 4.2842 4.3171 4.3171 4.4244 4.4244 8.7253 8.7253 k = 0.5389 0.1728-0.5043 ( 8818 PWs) bands (ev): -10.9629 -10.9629 -10.9269 -10.9269 -10.7377 -10.7377 -10.7075 -10.7075 -10.6818 -10.6818 -10.5528 -10.5528 -0.9484 -0.9484 -0.5524 -0.5524 -0.1205 -0.1205 -0.0067 -0.0067 0.0429 0.0429 0.3659 0.3659 0.6891 0.6891 0.8116 0.8116 0.9279 0.9279 1.0227 1.0227 1.0775 1.0775 1.2686 1.2686 1.5811 1.5811 1.6822 1.6822 1.7780 1.7780 2.1352 2.1352 2.1751 2.1751 2.4574 2.4574 3.0213 3.0213 3.1310 3.1310 3.2340 3.2340 3.2940 3.2940 3.3561 3.3561 3.4843 3.4843 4.0881 4.0881 4.2833 4.2833 4.3100 4.3100 4.4235 4.4235 8.7240 8.7240 k = 0.5292 0.1922-0.5043 ( 8822 PWs) bands (ev): -10.9651 -10.9651 -10.9289 -10.9289 -10.7301 -10.7301 -10.7085 -10.7085 -10.6828 -10.6828 -10.5540 -10.5540 -0.9598 -0.9598 -0.5476 -0.5476 -0.1119 -0.1119 -0.0032 -0.0032 0.0383 0.0383 0.3788 0.3788 0.6984 0.6984 0.8177 0.8177 0.9236 0.9236 1.0225 1.0225 1.0916 1.0916 1.2442 1.2442 1.5897 1.5897 1.6606 1.6606 1.7684 1.7684 2.1370 2.1370 2.1691 2.1691 2.4645 2.4645 3.0172 3.0172 3.1288 3.1288 3.2362 3.2362 3.2986 3.2986 3.3537 3.3537 3.4848 3.4848 4.0879 4.0879 4.2832 4.2832 4.3035 4.3035 4.4228 4.4228 8.7225 8.7225 k = 0.5195 0.2117-0.5043 ( 8830 PWs) bands (ev): -10.9666 -10.9666 -10.9303 -10.9303 -10.7245 -10.7245 -10.7093 -10.7093 -10.6835 -10.6835 -10.5550 -10.5550 -0.9680 -0.9680 -0.5441 -0.5441 -0.1058 -0.1058 0.0006 0.0006 0.0338 0.0338 0.3888 0.3888 0.7037 0.7037 0.8268 0.8268 0.9137 0.9137 1.0264 1.0264 1.1059 1.1059 1.2220 1.2220 1.5980 1.5980 1.6422 1.6422 1.7615 1.7615 2.1386 2.1386 2.1643 2.1643 2.4697 2.4697 3.0141 3.0141 3.1272 3.1272 3.2377 3.2377 3.3025 3.3025 3.3515 3.3515 3.4852 3.4852 4.0878 4.0878 4.2839 4.2839 4.2977 4.2977 4.4222 4.4222 8.7212 8.7212 k = 0.5097 0.2311-0.5043 ( 8828 PWs) bands (ev): -10.9676 -10.9676 -10.9311 -10.9311 -10.7211 -10.7211 -10.7097 -10.7097 -10.6840 -10.6840 -10.5557 -10.5557 -0.9730 -0.9730 -0.5421 -0.5421 -0.1023 -0.1023 0.0040 0.0040 0.0300 0.0300 0.3951 0.3951 0.7062 0.7062 0.8362 0.8362 0.9030 0.9030 1.0308 1.0308 1.1179 1.1179 1.2050 1.2050 1.6064 1.6064 1.6274 1.6274 1.7574 1.7574 2.1400 2.1400 2.1610 2.1610 2.4729 2.4729 3.0122 3.0122 3.1262 3.1262 3.2386 3.2386 3.3052 3.3052 3.3500 3.3500 3.4854 3.4854 4.0879 4.0879 4.2855 4.2855 4.2930 4.2930 4.4219 4.4219 8.7203 8.7203 k = 0.5000 0.2505-0.5043 ( 8806 PWs) bands (ev): -10.9679 -10.9679 -10.9314 -10.9314 -10.7199 -10.7199 -10.7098 -10.7098 -10.6842 -10.6842 -10.5559 -10.5559 -0.9746 -0.9746 -0.5414 -0.5414 -0.1011 -0.1011 0.0056 0.0056 0.0284 0.0284 0.3973 0.3973 0.7069 0.7069 0.8407 0.8407 0.8981 0.8981 1.0326 1.0326 1.1230 1.1230 1.1980 1.1980 1.6156 1.6156 1.6159 1.6159 1.7560 1.7560 2.1405 2.1405 2.1598 2.1598 2.4740 2.4740 3.0116 3.0116 3.1259 3.1259 3.2389 3.2389 3.3062 3.3062 3.3494 3.3494 3.4855 3.4855 4.0880 4.0880 4.2870 4.2870 4.2905 4.2905 4.4219 4.4219 8.7201 8.7201 k = 0.5000 0.2505-0.5043 ( 8806 PWs) bands (ev): -10.9679 -10.9679 -10.9314 -10.9314 -10.7199 -10.7199 -10.7098 -10.7098 -10.6842 -10.6842 -10.5559 -10.5559 -0.9746 -0.9746 -0.5414 -0.5414 -0.1011 -0.1011 0.0056 0.0056 0.0284 0.0284 0.3973 0.3973 0.7069 0.7069 0.8407 0.8407 0.8981 0.8981 1.0326 1.0326 1.1230 1.1230 1.1980 1.1980 1.6156 1.6156 1.6159 1.6159 1.7560 1.7560 2.1405 2.1405 2.1598 2.1598 2.4740 2.4740 3.0116 3.0116 3.1259 3.1259 3.2389 3.2389 3.3062 3.3062 3.3494 3.3494 3.4855 3.4855 4.0880 4.0880 4.2870 4.2870 4.2905 4.2905 4.4219 4.4219 8.7201 8.7201 k = 0.5136 0.2573-0.4874 ( 8810 PWs) bands (ev): -10.9678 -10.9678 -10.9311 -10.9311 -10.7201 -10.7201 -10.7162 -10.7162 -10.6779 -10.6779 -10.5560 -10.5560 -0.9747 -0.9747 -0.5404 -0.5404 -0.1016 -0.1016 0.0038 0.0038 0.0305 0.0305 0.3973 0.3973 0.7056 0.7056 0.8360 0.8360 0.9025 0.9025 1.0298 1.0298 1.1251 1.1251 1.1996 1.1996 1.6126 1.6126 1.6199 1.6199 1.7556 1.7556 2.1375 2.1375 2.1624 2.1624 2.4731 2.4731 3.0112 3.0112 3.1262 3.1262 3.2387 3.2387 3.3058 3.3058 3.3507 3.3507 3.4857 3.4857 4.0879 4.0879 4.2835 4.2835 4.2930 4.2930 4.4220 4.4220 8.7188 8.7188 k = 0.5272 0.2641-0.4705 ( 8824 PWs) bands (ev): -10.9677 -10.9677 -10.9304 -10.9304 -10.7296 -10.7296 -10.7188 -10.7188 -10.6662 -10.6662 -10.5562 -10.5562 -0.9749 -0.9749 -0.5377 -0.5377 -0.1030 -0.1030 -0.0009 -0.0009 0.0362 0.0362 0.3972 0.3972 0.7013 0.7013 0.8252 0.8252 0.9120 0.9120 1.0236 1.0236 1.1291 1.1291 1.2049 1.2049 1.6105 1.6105 1.6250 1.6250 1.7545 1.7545 2.1312 2.1312 2.1677 2.1677 2.4704 2.4704 3.0101 3.0101 3.1274 3.1274 3.2382 3.2382 3.3048 3.3048 3.3544 3.3544 3.4863 3.4863 4.0877 4.0877 4.2775 4.2775 4.2963 4.2963 4.4225 4.4225 8.7152 8.7152 k = 0.5409 0.2710-0.4536 ( 8817 PWs) bands (ev): -10.9675 -10.9675 -10.9290 -10.9290 -10.7437 -10.7437 -10.7180 -10.7180 -10.6538 -10.6538 -10.5567 -10.5567 -0.9752 -0.9752 -0.5333 -0.5333 -0.1052 -0.1052 -0.0076 -0.0076 0.0448 0.0448 0.3969 0.3969 0.6940 0.6940 0.8130 0.8130 0.9208 0.9208 1.0181 1.0181 1.1311 1.1311 1.2152 1.2152 1.6093 1.6093 1.6311 1.6311 1.7527 1.7527 2.1238 2.1238 2.1735 2.1735 2.4661 2.4661 3.0085 3.0085 3.1292 3.1292 3.2376 3.2376 3.3036 3.3036 3.3598 3.3598 3.4873 3.4873 4.0873 4.0873 4.2700 4.2700 4.2997 4.2997 4.4231 4.4231 8.7094 8.7094 k = 0.5545 0.2778-0.4367 ( 8814 PWs) bands (ev): -10.9675 -10.9675 -10.9272 -10.9272 -10.7582 -10.7582 -10.7168 -10.7168 -10.6416 -10.6416 -10.5573 -10.5573 -0.9757 -0.9757 -0.5274 -0.5274 -0.1086 -0.1086 -0.0158 -0.0158 0.0561 0.0561 0.3964 0.3964 0.6833 0.6833 0.8016 0.8016 0.9246 0.9246 1.0174 1.0174 1.1295 1.1295 1.2302 1.2302 1.6088 1.6088 1.6378 1.6378 1.7502 1.7502 2.1162 2.1162 2.1790 2.1790 2.4605 2.4605 3.0064 3.0064 3.1317 3.1317 3.2369 3.2369 3.3025 3.3025 3.3662 3.3662 3.4885 3.4885 4.0869 4.0869 4.2610 4.2610 4.3033 4.3033 4.4235 4.4235 8.7018 8.7018 k = 0.5681 0.2846-0.4198 ( 8824 PWs) bands (ev): -10.9677 -10.9677 -10.9248 -10.9248 -10.7726 -10.7726 -10.7152 -10.7152 -10.6299 -10.6299 -10.5581 -10.5581 -0.9761 -0.9761 -0.5203 -0.5203 -0.1132 -0.1132 -0.0247 -0.0247 0.0696 0.0696 0.3955 0.3955 0.6692 0.6692 0.7919 0.7919 0.9220 0.9220 1.0227 1.0227 1.1251 1.1251 1.2486 1.2486 1.6091 1.6091 1.6450 1.6450 1.7471 1.7471 2.1088 2.1088 2.1840 2.1840 2.4540 2.4540 3.0041 3.0041 3.1347 3.1347 3.2364 3.2364 3.3017 3.3017 3.3731 3.3731 3.4901 3.4901 4.0864 4.0864 4.2509 4.2509 4.3072 4.3072 4.4235 4.4235 8.6926 8.6926 k = 0.5817 0.2914-0.4029 ( 8814 PWs) bands (ev): -10.9686 -10.9686 -10.9218 -10.9218 -10.7864 -10.7864 -10.7132 -10.7132 -10.6187 -10.6187 -10.5590 -10.5590 -0.9765 -0.9765 -0.5122 -0.5122 -0.1195 -0.1195 -0.0331 -0.0331 0.0853 0.0853 0.3942 0.3942 0.6520 0.6520 0.7841 0.7841 0.9146 0.9146 1.0314 1.0314 1.1198 1.1198 1.2685 1.2685 1.6099 1.6099 1.6524 1.6524 1.7438 1.7438 2.1021 2.1021 2.1883 2.1883 2.4469 2.4469 3.0017 3.0017 3.1381 3.1381 3.2361 3.2361 3.3012 3.3012 3.3800 3.3800 3.4918 3.4918 4.0859 4.0859 4.2400 4.2400 4.3115 4.3115 4.4229 4.4229 8.6823 8.6823 k = 0.5954 0.2983-0.3860 ( 8812 PWs) bands (ev): -10.9704 -10.9704 -10.9183 -10.9183 -10.7993 -10.7993 -10.7109 -10.7109 -10.6082 -10.6082 -10.5601 -10.5601 -0.9769 -0.9769 -0.5036 -0.5036 -0.1283 -0.1283 -0.0400 -0.0400 0.1026 0.1026 0.3924 0.3924 0.6324 0.6324 0.7779 0.7779 0.9049 0.9049 1.0390 1.0390 1.1167 1.1167 1.2888 1.2888 1.6113 1.6113 1.6595 1.6595 1.7405 1.7405 2.0964 2.0964 2.1919 2.1919 2.4397 2.4397 2.9995 2.9995 3.1419 3.1419 3.2360 3.2360 3.3011 3.3011 3.3867 3.3867 3.4937 3.4937 4.0853 4.0853 4.2288 4.2288 4.3159 4.3159 4.4216 4.4216 8.6716 8.6716 k = 0.6090 0.3051-0.3691 ( 8812 PWs) bands (ev): -10.9735 -10.9735 -10.9141 -10.9141 -10.8108 -10.8108 -10.7083 -10.7083 -10.5985 -10.5985 -10.5614 -10.5614 -0.9771 -0.9771 -0.4950 -0.4950 -0.1400 -0.1400 -0.0440 -0.0440 0.1211 0.1211 0.3902 0.3902 0.6112 0.6112 0.7727 0.7727 0.8947 0.8947 1.0410 1.0410 1.1188 1.1188 1.3083 1.3083 1.6133 1.6133 1.6656 1.6656 1.7379 1.7379 2.0919 2.0919 2.1949 2.1949 2.4327 2.4327 2.9975 2.9975 3.1459 3.1459 3.2362 3.2362 3.3012 3.3012 3.3928 3.3928 3.4955 3.4955 4.0846 4.0846 4.2176 4.2176 4.3205 4.3205 4.4197 4.4197 8.6610 8.6610 k = 0.6226 0.3119-0.3522 ( 8812 PWs) bands (ev): -10.9785 -10.9785 -10.9093 -10.9093 -10.8205 -10.8205 -10.7053 -10.7053 -10.5894 -10.5894 -10.5628 -10.5628 -0.9771 -0.9771 -0.4870 -0.4870 -0.1545 -0.1545 -0.0445 -0.0445 0.1400 0.1400 0.3877 0.3877 0.5890 0.5890 0.7679 0.7679 0.8850 0.8850 1.0360 1.0360 1.1270 1.1270 1.3265 1.3265 1.6156 1.6156 1.6700 1.6700 1.7369 1.7369 2.0889 2.0889 2.1972 2.1972 2.4264 2.4264 2.9959 2.9959 3.1501 3.1501 3.2367 3.2367 3.3015 3.3015 3.3984 3.3984 3.4973 3.4973 4.0840 4.0840 4.2067 4.2067 4.3248 4.3248 4.4174 4.4174 8.6511 8.6511 k = 0.6362 0.3188-0.3353 ( 8821 PWs) bands (ev): -10.9856 -10.9856 -10.9039 -10.9039 -10.8280 -10.8280 -10.7021 -10.7021 -10.5811 -10.5811 -10.5643 -10.5643 -0.9767 -0.9767 -0.4802 -0.4802 -0.1714 -0.1714 -0.0413 -0.0413 0.1583 0.1583 0.3854 0.3854 0.5669 0.5669 0.7630 0.7630 0.8764 0.8764 1.0260 1.0260 1.1388 1.1388 1.3426 1.3426 1.6180 1.6180 1.6721 1.6721 1.7387 1.7387 2.0876 2.0876 2.1991 2.1991 2.4211 2.4211 2.9946 2.9946 3.1542 3.1542 3.2373 3.2373 3.3020 3.3020 3.4033 3.4033 3.4987 3.4987 4.0834 4.0834 4.1965 4.1965 4.3288 4.3288 4.4148 4.4148 8.6425 8.6425 k = 0.6362 0.3188-0.3353 ( 8821 PWs) bands (ev): -10.9856 -10.9856 -10.9039 -10.9039 -10.8280 -10.8280 -10.7021 -10.7021 -10.5811 -10.5811 -10.5643 -10.5643 -0.9767 -0.9767 -0.4802 -0.4802 -0.1714 -0.1714 -0.0413 -0.0413 0.1583 0.1583 0.3854 0.3854 0.5669 0.5669 0.7630 0.7630 0.8764 0.8764 1.0260 1.0260 1.1388 1.1388 1.3426 1.3426 1.6180 1.6180 1.6721 1.6721 1.7387 1.7387 2.0876 2.0876 2.1991 2.1991 2.4211 2.4211 2.9946 2.9946 3.1542 3.1542 3.2373 3.2373 3.3020 3.3020 3.4033 3.4033 3.4987 3.4987 4.0834 4.0834 4.1965 4.1965 4.3288 4.3288 4.4148 4.4148 8.6425 8.6425 k = 0.6306 0.3159-0.3143 ( 8824 PWs) bands (ev): -11.0012 -11.0012 -10.8849 -10.8849 -10.8397 -10.8397 -10.6995 -10.6995 -10.5752 -10.5752 -10.5634 -10.5634 -0.9677 -0.9677 -0.4792 -0.4792 -0.1649 -0.1649 -0.0448 -0.0448 0.1789 0.1789 0.3717 0.3717 0.5714 0.5714 0.7564 0.7564 0.8681 0.8681 1.0084 1.0084 1.1375 1.1375 1.3620 1.3620 1.6019 1.6019 1.6623 1.6623 1.7385 1.7385 2.0792 2.0792 2.1974 2.1974 2.4182 2.4182 2.9959 2.9959 3.1658 3.1658 3.2396 3.2396 3.3038 3.3038 3.4040 3.4040 3.4995 3.4995 4.0758 4.0758 4.1905 4.1905 4.3303 4.3303 4.4098 4.4098 8.6662 8.6662 k = 0.6249 0.3131-0.2933 ( 8822 PWs) bands (ev): -11.0171 -11.0171 -10.8659 -10.8659 -10.8510 -10.8510 -10.6965 -10.6965 -10.5698 -10.5698 -10.5624 -10.5624 -0.9575 -0.9575 -0.4808 -0.4808 -0.1581 -0.1581 -0.0489 -0.0489 0.2004 0.2004 0.3591 0.3591 0.5766 0.5766 0.7501 0.7501 0.8592 0.8592 0.9919 0.9919 1.1335 1.1335 1.3777 1.3777 1.5793 1.5793 1.6493 1.6493 1.7488 1.7488 2.0714 2.0714 2.1963 2.1963 2.4173 2.4173 2.9980 2.9980 3.1768 3.1768 3.2420 3.2420 3.3059 3.3059 3.4043 3.4043 3.4997 3.4997 4.0691 4.0691 4.1850 4.1850 4.3308 4.3308 4.4049 4.4049 8.6918 8.6918 k = 0.6192 0.3102-0.2722 ( 8816 PWs) bands (ev): -11.0329 -11.0329 -10.8637 -10.8637 -10.8453 -10.8453 -10.6932 -10.6932 -10.5648 -10.5648 -10.5613 -10.5613 -0.9463 -0.9463 -0.4845 -0.4845 -0.1508 -0.1508 -0.0530 -0.0530 0.2217 0.2217 0.3485 0.3485 0.5807 0.5807 0.7447 0.7447 0.8493 0.8493 0.9770 0.9770 1.1266 1.1266 1.3860 1.3860 1.5521 1.5521 1.6421 1.6421 1.7625 1.7625 2.0650 2.0650 2.1957 2.1957 2.4185 2.4185 3.0010 3.0010 3.1868 3.1868 3.2444 3.2444 3.3084 3.3084 3.4042 3.4042 3.4990 3.4990 4.0636 4.0636 4.1798 4.1798 4.3298 4.3298 4.4010 4.4010 8.7184 8.7184 k = 0.6135 0.3074-0.2512 ( 8820 PWs) bands (ev): -11.0484 -11.0484 -10.8746 -10.8746 -10.8266 -10.8266 -10.6895 -10.6895 -10.5611 -10.5611 -10.5593 -10.5593 -0.9340 -0.9340 -0.4899 -0.4899 -0.1432 -0.1432 -0.0563 -0.0563 0.2404 0.2404 0.3419 0.3419 0.5815 0.5815 0.7413 0.7413 0.8384 0.8384 0.9644 0.9644 1.1166 1.1166 1.3838 1.3838 1.5223 1.5223 1.6448 1.6448 1.7767 1.7767 2.0608 2.0608 2.1956 2.1956 2.4217 2.4217 3.0045 3.0045 3.1952 3.1952 3.2471 3.2471 3.3110 3.3110 3.4040 3.4040 3.4975 3.4975 4.0595 4.0595 4.1752 4.1752 4.3269 4.3269 4.3985 4.3985 8.7452 8.7452 k = 0.6078 0.3045-0.2302 ( 8810 PWs) bands (ev): -11.0635 -11.0635 -10.8855 -10.8855 -10.8080 -10.8080 -10.6854 -10.6854 -10.5595 -10.5595 -10.5557 -10.5557 -0.9208 -0.9208 -0.4962 -0.4962 -0.1354 -0.1354 -0.0587 -0.0587 0.2531 0.2531 0.3425 0.3425 0.5774 0.5774 0.7407 0.7407 0.8264 0.8264 0.9542 0.9542 1.1033 1.1033 1.3710 1.3710 1.4917 1.4917 1.6556 1.6556 1.7917 1.7917 2.0597 2.0597 2.1960 2.1960 2.4271 2.4271 3.0085 3.0085 3.2015 3.2015 3.2501 3.2501 3.3134 3.3134 3.4037 3.4037 3.4950 3.4950 4.0573 4.0573 4.1712 4.1712 4.3221 4.3221 4.3980 4.3980 8.7715 8.7715 k = 0.6022 0.3017-0.2092 ( 8814 PWs) bands (ev): -11.0782 -11.0782 -10.8961 -10.8961 -10.7897 -10.7897 -10.6810 -10.6810 -10.5582 -10.5582 -10.5522 -10.5522 -0.9069 -0.9069 -0.5028 -0.5028 -0.1273 -0.1273 -0.0598 -0.0598 0.2568 0.2568 0.3527 0.3527 0.5674 0.5674 0.7428 0.7428 0.8136 0.8136 0.9463 0.9463 1.0868 1.0868 1.3505 1.3505 1.4611 1.4611 1.6684 1.6684 1.8103 1.8103 2.0618 2.0618 2.1970 2.1970 2.4346 2.4346 3.0128 3.0128 3.2055 3.2055 3.2531 3.2531 3.3156 3.3156 3.4036 3.4036 3.4914 3.4914 4.0570 4.0570 4.1677 4.1677 4.3157 4.3157 4.3994 4.3994 8.7965 8.7965 k = 0.5965 0.2988-0.1882 ( 8819 PWs) bands (ev): -11.0924 -11.0924 -10.9063 -10.9063 -10.7720 -10.7720 -10.6763 -10.6763 -10.5570 -10.5570 -10.5491 -10.5491 -0.8922 -0.8922 -0.5089 -0.5089 -0.1192 -0.1192 -0.0597 -0.0597 0.2530 0.2530 0.3707 0.3707 0.5519 0.5519 0.7465 0.7465 0.8011 0.8011 0.9404 0.9404 1.0674 1.0674 1.3258 1.3258 1.4303 1.4303 1.6761 1.6761 1.8365 1.8365 2.0668 2.0668 2.1988 2.1988 2.4444 2.4444 3.0172 3.0172 3.2071 3.2071 3.2559 3.2559 3.3174 3.3174 3.4036 3.4036 3.4867 3.4867 4.0588 4.0588 4.1649 4.1649 4.3085 4.3085 4.4022 4.4022 8.8196 8.8196 k = 0.5908 0.2960-0.1672 ( 8815 PWs) bands (ev): -11.1060 -11.1060 -10.9162 -10.9162 -10.7548 -10.7548 -10.6713 -10.6713 -10.5559 -10.5559 -10.5466 -10.5466 -0.8769 -0.8769 -0.5142 -0.5142 -0.1112 -0.1112 -0.0584 -0.0584 0.2451 0.2451 0.3926 0.3926 0.5320 0.5320 0.7484 0.7484 0.7912 0.7912 0.9361 0.9361 1.0458 1.0458 1.2997 1.2997 1.3996 1.3996 1.6750 1.6750 1.8721 1.8721 2.0742 2.0742 2.2014 2.2014 2.4566 2.4566 3.0215 3.0215 3.2068 3.2068 3.2575 3.2575 3.3190 3.3190 3.4040 3.4040 3.4809 3.4809 4.0625 4.0625 4.1628 4.1628 4.3012 4.3012 4.4061 4.4061 8.8403 8.8403 k = 0.5851 0.2932-0.1462 ( 8828 PWs) bands (ev): -11.1190 -11.1190 -10.9256 -10.9256 -10.7382 -10.7382 -10.6660 -10.6660 -10.5549 -10.5549 -10.5445 -10.5445 -0.8611 -0.8611 -0.5180 -0.5180 -0.1033 -0.1033 -0.0559 -0.0559 0.2353 0.2353 0.4142 0.4142 0.5103 0.5103 0.7435 0.7435 0.7878 0.7878 0.9329 0.9329 1.0236 1.0236 1.2737 1.2737 1.3687 1.3687 1.6659 1.6659 1.9153 1.9153 2.0831 2.0831 2.2049 2.2049 2.4714 2.4714 3.0258 3.0258 3.2049 3.2049 3.2571 3.2571 3.3207 3.3207 3.4046 3.4046 3.4738 3.4738 4.0677 4.0677 4.1612 4.1612 4.2947 4.2947 4.4109 4.4109 8.8581 8.8581 k = 0.5795 0.2903-0.1252 ( 8818 PWs) bands (ev): -11.1313 -11.1313 -10.9346 -10.9346 -10.7223 -10.7223 -10.6605 -10.6605 -10.5540 -10.5540 -10.5430 -10.5430 -0.8450 -0.8450 -0.5200 -0.5200 -0.0957 -0.0957 -0.0524 -0.0524 0.2247 0.2247 0.4278 0.4278 0.4944 0.4944 0.7307 0.7307 0.7905 0.7905 0.9302 0.9302 1.0026 1.0026 1.2485 1.2485 1.3377 1.3377 1.6509 1.6509 1.9631 1.9631 2.0930 2.0930 2.2093 2.2093 2.4888 2.4888 3.0299 3.0299 3.2018 3.2018 3.2542 3.2542 3.3227 3.3227 3.4054 3.4054 3.4655 3.4655 4.0738 4.0738 4.1602 4.1602 4.2897 4.2897 4.4163 4.4163 8.8728 8.8728 k = 0.5738 0.2875-0.1042 ( 8827 PWs) bands (ev): -11.1430 -11.1430 -10.9431 -10.9431 -10.7070 -10.7070 -10.6548 -10.6548 -10.5532 -10.5532 -10.5421 -10.5421 -0.8286 -0.8286 -0.5201 -0.5201 -0.0884 -0.0884 -0.0483 -0.0483 0.2140 0.2140 0.4187 0.4187 0.4992 0.4992 0.7132 0.7132 0.7949 0.7949 0.9275 0.9275 0.9852 0.9852 1.2240 1.2240 1.3068 1.3068 1.6321 1.6321 2.0124 2.0124 2.1038 2.1038 2.2150 2.2150 2.5087 2.5087 3.0337 3.0337 3.1977 3.1977 3.2486 3.2486 3.3251 3.3251 3.4059 3.4059 3.4563 3.4563 4.0803 4.0803 4.1594 4.1594 4.2872 4.2872 4.4221 4.4221 8.8845 8.8845 k = 0.5681 0.2846-0.0831 ( 8830 PWs) bands (ev): -11.1539 -11.1539 -10.9511 -10.9511 -10.6925 -10.6925 -10.6490 -10.6490 -10.5526 -10.5526 -10.5417 -10.5417 -0.8121 -0.8121 -0.5179 -0.5179 -0.0814 -0.0814 -0.0438 -0.0438 0.2034 0.2034 0.3923 0.3923 0.5195 0.5195 0.6930 0.6930 0.7982 0.7982 0.9246 0.9246 0.9728 0.9728 1.2003 1.2003 1.2761 1.2761 1.6109 1.6109 2.0594 2.0594 2.1166 2.1166 2.2226 2.2226 2.5312 2.5312 3.0373 3.0373 3.1928 3.1928 3.2407 3.2407 3.3276 3.3276 3.4057 3.4057 3.4466 3.4466 4.0863 4.0863 4.1584 4.1584 4.2878 4.2878 4.4284 4.4284 8.8932 8.8932 k = 0.5624 0.2818-0.0621 ( 8826 PWs) bands (ev): -11.1640 -11.1640 -10.9586 -10.9586 -10.6787 -10.6787 -10.6430 -10.6430 -10.5522 -10.5522 -10.5418 -10.5418 -0.7956 -0.7956 -0.5135 -0.5135 -0.0748 -0.0748 -0.0394 -0.0394 0.1934 0.1934 0.3603 0.3603 0.5436 0.5436 0.6711 0.6711 0.7993 0.7993 0.9223 0.9223 0.9657 0.9657 1.1769 1.1769 1.2455 1.2455 1.5885 1.5885 2.0959 2.0959 2.1357 2.1357 2.2342 2.2342 2.5561 2.5561 3.0405 3.0405 3.1873 3.1873 3.2308 3.2308 3.3300 3.3300 3.4035 3.4035 3.4375 3.4375 4.0914 4.0914 4.1568 4.1568 4.2922 4.2922 4.4351 4.4351 8.8990 8.8990 k = 0.5568 0.2789-0.0411 ( 8840 PWs) bands (ev): -11.1734 -11.1734 -10.9654 -10.9654 -10.6656 -10.6656 -10.6369 -10.6369 -10.5521 -10.5521 -10.5424 -10.5424 -0.7792 -0.7792 -0.5071 -0.5071 -0.0686 -0.0686 -0.0357 -0.0357 0.1841 0.1841 0.3269 0.3269 0.5667 0.5667 0.6499 0.6499 0.7985 0.7985 0.9217 0.9217 0.9626 0.9626 1.1539 1.1539 1.2154 1.2154 1.5657 1.5657 2.1158 2.1158 2.1622 2.1622 2.2536 2.2536 2.5831 2.5831 3.0433 3.0433 3.1811 3.1811 3.2195 3.2195 3.3320 3.3320 3.3976 3.3976 3.4310 3.4310 4.0953 4.0953 4.1542 4.1542 4.3000 4.3000 4.4423 4.4423 8.9025 8.9025 k = 0.5511 0.2761-0.0201 ( 8838 PWs) bands (ev): -11.1820 -11.1820 -10.9717 -10.9717 -10.6534 -10.6534 -10.6308 -10.6308 -10.5522 -10.5522 -10.5435 -10.5435 -0.7630 -0.7630 -0.4988 -0.4988 -0.0630 -0.0630 -0.0329 -0.0329 0.1758 0.1758 0.2939 0.2939 0.5803 0.5803 0.6373 0.6373 0.7967 0.7967 0.9230 0.9230 0.9619 0.9619 1.1313 1.1313 1.1858 1.1858 1.5432 1.5432 2.1275 2.1275 2.1833 2.1833 2.2842 2.2842 2.6121 2.6121 3.0459 3.0459 3.1744 3.1744 3.2073 3.2073 3.3335 3.3335 3.3873 3.3873 3.4278 3.4278 4.0982 4.0982 4.1508 4.1508 4.3105 4.3105 4.4501 4.4501 8.9038 8.9038 k = 0.5454 0.2732 0.0009 ( 8833 PWs) bands (ev): -11.1897 -11.1897 -10.9774 -10.9774 -10.6419 -10.6419 -10.6246 -10.6246 -10.5527 -10.5527 -10.5451 -10.5451 -0.7471 -0.7471 -0.4890 -0.4890 -0.0582 -0.0582 -0.0317 -0.0317 0.1687 0.1687 0.2626 0.2626 0.5715 0.5715 0.6467 0.6467 0.7948 0.7948 0.9259 0.9259 0.9624 0.9624 1.1090 1.1090 1.1568 1.1568 1.5216 1.5216 2.1365 2.1365 2.1961 2.1961 2.3221 2.3221 2.6427 2.6427 3.0482 3.0482 3.1671 3.1671 3.1946 3.1946 3.3339 3.3339 3.3743 3.3743 3.4270 3.4270 4.1002 4.1002 4.1469 4.1469 4.3225 4.3225 4.4586 4.4586 8.9032 8.9032 k = 0.5397 0.2704 0.0219 ( 8826 PWs) bands (ev): -11.1966 -11.1966 -10.9825 -10.9825 -10.6313 -10.6313 -10.6185 -10.6185 -10.5536 -10.5536 -10.5472 -10.5472 -0.7316 -0.7316 -0.4782 -0.4782 -0.0546 -0.0546 -0.0322 -0.0322 0.1625 0.1625 0.2345 0.2345 0.5504 0.5504 0.6686 0.6686 0.7936 0.7936 0.9297 0.9297 0.9636 0.9636 1.0874 1.0874 1.1286 1.1286 1.5012 1.5012 2.1441 2.1441 2.2041 2.2041 2.3617 2.3617 2.6747 2.6747 3.0504 3.0504 3.1592 3.1592 3.1819 3.1819 3.3319 3.3319 3.3615 3.3615 3.4271 3.4271 4.1014 4.1014 4.1427 4.1427 4.3347 4.3347 4.4676 4.4676 8.9005 8.9005 k = 0.5341 0.2676 0.0429 ( 8829 PWs) bands (ev): -11.2026 -11.2026 -10.9869 -10.9869 -10.6215 -10.6215 -10.6125 -10.6125 -10.5548 -10.5548 -10.5497 -10.5497 -0.7169 -0.7169 -0.4670 -0.4670 -0.0525 -0.0525 -0.0344 -0.0344 0.1571 0.1571 0.2108 0.2108 0.5273 0.5273 0.6931 0.6931 0.7934 0.7934 0.9338 0.9338 0.9650 0.9650 1.0667 1.0667 1.1014 1.1014 1.4827 1.4827 2.1506 2.1506 2.2098 2.2098 2.3991 2.3991 2.7074 2.7074 3.0523 3.0523 3.1506 3.1506 3.1693 3.1693 3.3250 3.3250 3.3525 3.3525 3.4277 3.4277 4.1019 4.1019 4.1387 4.1387 4.3462 4.3462 4.4771 4.4771 8.8915 8.8915 k = 0.5284 0.2647 0.0639 ( 8817 PWs) bands (ev): -11.2077 -11.2077 -10.9906 -10.9906 -10.6126 -10.6126 -10.6066 -10.6066 -10.5564 -10.5564 -10.5525 -10.5525 -0.7032 -0.7032 -0.4558 -0.4558 -0.0521 -0.0521 -0.0380 -0.0380 0.1515 0.1515 0.1931 0.1931 0.5053 0.5053 0.7175 0.7175 0.7943 0.7943 0.9382 0.9382 0.9663 0.9663 1.0474 1.0474 1.0755 1.0755 1.4663 1.4663 2.1560 2.1560 2.2142 2.2142 2.4325 2.4325 2.7402 2.7402 3.0543 3.0543 3.1416 3.1416 3.1570 3.1570 3.3129 3.3129 3.3488 3.3488 3.4284 3.4284 4.1020 4.1020 4.1352 4.1352 4.3561 4.3561 4.4867 4.4867 8.8744 8.8744 k = 0.5227 0.2619 0.0849 ( 8814 PWs) bands (ev): -11.2119 -11.2119 -10.9937 -10.9937 -10.6046 -10.6046 -10.6009 -10.6009 -10.5584 -10.5584 -10.5557 -10.5557 -0.6910 -0.6910 -0.4455 -0.4455 -0.0538 -0.0538 -0.0421 -0.0421 0.1452 0.1452 0.1822 0.1822 0.4858 0.4858 0.7406 0.7406 0.7962 0.7962 0.9425 0.9425 0.9672 0.9672 1.0301 1.0301 1.0513 1.0513 1.4524 1.4524 2.1605 2.1605 2.2177 2.2177 2.4607 2.4607 2.7717 2.7717 3.0564 3.0564 3.1327 3.1327 3.1449 3.1449 3.2992 3.2992 3.3475 3.3475 3.4291 3.4291 4.1018 4.1018 4.1324 4.1324 4.3642 4.3642 4.4959 4.4959 8.8575 8.8575 k = 0.5170 0.2590 0.1060 ( 8804 PWs) bands (ev): -11.2152 -11.2152 -10.9962 -10.9962 -10.5976 -10.5976 -10.5956 -10.5956 -10.5607 -10.5607 -10.5590 -10.5590 -0.6807 -0.6807 -0.4366 -0.4366 -0.0571 -0.0571 -0.0458 -0.0458 0.1388 0.1388 0.1767 0.1767 0.4697 0.4697 0.7609 0.7609 0.7991 0.7991 0.9468 0.9468 0.9676 0.9676 1.0154 1.0154 1.0294 1.0294 1.4413 1.4413 2.1639 2.1639 2.2205 2.2205 2.4832 2.4832 2.8003 2.8003 3.0588 3.0588 3.1245 3.1245 3.1330 3.1330 3.2868 3.2868 3.3471 3.3471 3.4296 3.4296 4.1013 4.1013 4.1302 4.1302 4.3703 4.3703 4.5039 4.5039 8.8435 8.8435 k = 0.5114 0.2562 0.1270 ( 8824 PWs) bands (ev): -11.2175 -11.2175 -10.9979 -10.9979 -10.5918 -10.5918 -10.5909 -10.5909 -10.5633 -10.5633 -10.5622 -10.5622 -0.6728 -0.6728 -0.4297 -0.4297 -0.0610 -0.0610 -0.0487 -0.0487 0.1337 0.1337 0.1746 0.1746 0.4576 0.4576 0.7765 0.7765 0.8029 0.8029 0.9505 0.9505 0.9681 0.9681 1.0036 1.0036 1.0113 1.0113 1.4332 1.4332 2.1664 2.1664 2.2225 2.2225 2.4994 2.4994 2.8237 2.8237 3.0613 3.0613 3.1177 3.1177 3.1221 3.1221 3.2771 3.2771 3.3470 3.3470 3.4300 3.4300 4.1008 4.1008 4.1287 4.1287 4.3745 4.3745 4.5101 4.5101 8.8332 8.8332 k = 0.5057 0.2533 0.1480 ( 8822 PWs) bands (ev): -11.2189 -11.2189 -10.9989 -10.9989 -10.5877 -10.5877 -10.5873 -10.5873 -10.5656 -10.5656 -10.5646 -10.5646 -0.6678 -0.6678 -0.4254 -0.4254 -0.0641 -0.0641 -0.0505 -0.0505 0.1306 0.1306 0.1739 0.1739 0.4501 0.4501 0.7856 0.7856 0.8072 0.8072 0.9526 0.9526 0.9704 0.9704 0.9922 0.9922 1.0012 1.0012 1.4282 1.4282 2.1678 2.1678 2.2237 2.2237 2.5093 2.5093 2.8395 2.8395 3.0637 3.0637 3.1122 3.1122 3.1148 3.1148 3.2711 3.2711 3.3470 3.3470 3.4303 3.4303 4.1005 4.1005 4.1279 4.1279 4.3770 4.3770 4.5141 4.5141 8.8269 8.8269 k = 0.5000 0.2505 0.1690 ( 8828 PWs) bands (ev): -11.2194 -11.2194 -10.9993 -10.9993 -10.5862 -10.5862 -10.5858 -10.5858 -10.5667 -10.5667 -10.5656 -10.5656 -0.6661 -0.6661 -0.4239 -0.4239 -0.0652 -0.0652 -0.0511 -0.0511 0.1295 0.1295 0.1737 0.1737 0.4476 0.4476 0.7883 0.7883 0.8093 0.8093 0.9530 0.9530 0.9736 0.9736 0.9851 0.9851 0.9986 0.9986 1.4266 1.4266 2.1683 2.1683 2.2242 2.2242 2.5126 2.5126 2.8450 2.8450 3.0647 3.0647 3.1093 3.1093 3.1128 3.1128 3.2690 3.2690 3.3470 3.3470 3.4304 3.4304 4.1003 4.1003 4.1276 4.1276 4.3779 4.3779 4.5154 4.5154 8.8248 8.8248 k = 0.5000-0.3738-0.2521 ( 8828 PWs) bands (ev): -11.0351 -11.0351 -11.0036 -11.0036 -10.6435 -10.6435 -10.6320 -10.6320 -10.6287 -10.6287 -10.6077 -10.6077 -1.0606 -1.0606 -0.5757 -0.5757 -0.5040 -0.5040 -0.0316 -0.0316 0.1409 0.1409 0.5511 0.5511 0.5898 0.5898 0.6992 0.6992 0.8675 0.8675 0.9960 0.9960 1.0677 1.0677 1.3880 1.3880 1.7573 1.7573 1.7995 1.7995 1.9974 1.9974 2.1978 2.1978 2.2805 2.2805 2.5306 2.5306 2.9971 2.9971 3.0322 3.0322 3.2530 3.2530 3.3209 3.3209 3.3842 3.3842 3.4753 3.4753 4.0944 4.0944 4.2795 4.2795 4.3763 4.3763 4.4031 4.4031 8.4405 8.4405 k = 0.5151-0.3598-0.2427 ( 8828 PWs) bands (ev): -11.0348 -11.0348 -11.0033 -11.0033 -10.6456 -10.6456 -10.6319 -10.6319 -10.6301 -10.6301 -10.6051 -10.6051 -1.0603 -1.0603 -0.5748 -0.5748 -0.5028 -0.5028 -0.0310 -0.0310 0.1412 0.1412 0.5453 0.5453 0.5904 0.5904 0.7032 0.7032 0.8661 0.8661 0.9982 0.9982 1.0675 1.0675 1.3880 1.3880 1.7548 1.7548 1.8004 1.8004 1.9959 1.9959 2.1977 2.1977 2.2801 2.2801 2.5297 2.5297 2.9965 2.9965 3.0335 3.0335 3.2527 3.2527 3.3203 3.3203 3.3851 3.3851 3.4755 3.4755 4.0946 4.0946 4.2790 4.2790 4.3761 4.3761 4.4030 4.4030 8.4400 8.4400 k = 0.5303-0.3459-0.2334 ( 8822 PWs) bands (ev): -11.0338 -11.0338 -11.0023 -11.0023 -10.6501 -10.6501 -10.6389 -10.6389 -10.6263 -10.6263 -10.5996 -10.5996 -1.0595 -1.0595 -0.5720 -0.5720 -0.4992 -0.4992 -0.0292 -0.0292 0.1422 0.1422 0.5308 0.5308 0.5905 0.5905 0.7139 0.7139 0.8622 0.8622 1.0042 1.0042 1.0671 1.0671 1.3879 1.3879 1.7481 1.7481 1.8023 1.8023 1.9913 1.9913 2.1973 2.1973 2.2787 2.2787 2.5269 2.5269 2.9949 2.9949 3.0370 3.0370 3.2520 3.2520 3.3186 3.3186 3.3875 3.3875 3.4760 3.4760 4.0954 4.0954 4.2773 4.2773 4.3752 4.3752 4.4026 4.4026 8.4383 8.4383 k = 0.5454-0.3320-0.2240 ( 8826 PWs) bands (ev): -11.0322 -11.0322 -11.0006 -11.0006 -10.6562 -10.6562 -10.6466 -10.6466 -10.6219 -10.6219 -10.5939 -10.5939 -1.0581 -1.0581 -0.5675 -0.5675 -0.4932 -0.4932 -0.0265 -0.0265 0.1440 0.1440 0.5120 0.5120 0.5884 0.5884 0.7290 0.7290 0.8564 0.8564 1.0130 1.0130 1.0671 1.0671 1.3875 1.3875 1.7386 1.7386 1.8040 1.8040 1.9839 1.9839 2.1966 2.1966 2.2765 2.2765 2.5224 2.5224 2.9930 2.9930 3.0423 3.0423 3.2508 3.2508 3.3162 3.3162 3.3910 3.3910 3.4769 3.4769 4.0966 4.0966 4.2742 4.2742 4.3738 4.3738 4.4021 4.4021 8.4361 8.4361 k = 0.5605-0.3181-0.2146 ( 8831 PWs) bands (ev): -11.0300 -11.0300 -10.9983 -10.9983 -10.6647 -10.6647 -10.6533 -10.6533 -10.6173 -10.6173 -10.5884 -10.5884 -1.0561 -1.0561 -0.5615 -0.5615 -0.4849 -0.4849 -0.0231 -0.0231 0.1467 0.1467 0.4913 0.4913 0.5839 0.5839 0.7461 0.7461 0.8494 0.8494 1.0226 1.0226 1.0687 1.0687 1.3865 1.3865 1.7276 1.7276 1.8045 1.8045 1.9739 1.9739 2.1954 2.1954 2.2734 2.2734 2.5162 2.5162 2.9910 2.9910 3.0487 3.0487 3.2492 3.2492 3.3134 3.3134 3.3951 3.3951 3.4781 3.4781 4.0983 4.0983 4.2697 4.2697 4.3717 4.3717 4.4020 4.4020 8.4338 8.4338 k = 0.5757-0.3042-0.2052 ( 8839 PWs) bands (ev): -11.0272 -11.0272 -10.9953 -10.9953 -10.6752 -10.6752 -10.6588 -10.6588 -10.6127 -10.6127 -10.5836 -10.5836 -1.0536 -1.0536 -0.5540 -0.5540 -0.4741 -0.4741 -0.0194 -0.0194 0.1504 0.1504 0.4704 0.4704 0.5774 0.5774 0.7638 0.7638 0.8417 0.8417 1.0302 1.0302 1.0744 1.0744 1.3846 1.3846 1.7159 1.7159 1.8034 1.8034 1.9617 1.9617 2.1935 2.1935 2.2697 2.2697 2.5085 2.5085 2.9892 2.9892 3.0560 3.0560 3.2474 3.2474 3.3106 3.3106 3.3995 3.3995 3.4796 3.4796 4.1005 4.1005 4.2634 4.2634 4.3690 4.3690 4.4023 4.4023 8.4321 8.4321 k = 0.5908-0.2903-0.1958 ( 8831 PWs) bands (ev): -11.0238 -11.0238 -10.9917 -10.9917 -10.6869 -10.6869 -10.6636 -10.6636 -10.6082 -10.6082 -10.5794 -10.5794 -1.0505 -1.0505 -0.5455 -0.5455 -0.4610 -0.4610 -0.0158 -0.0158 0.1551 0.1551 0.4504 0.4504 0.5689 0.5689 0.7809 0.7809 0.8339 0.8339 1.0338 1.0338 1.0856 1.0856 1.3813 1.3813 1.7041 1.7041 1.8003 1.8003 1.9476 1.9476 2.1906 2.1906 2.2655 2.2655 2.4995 2.4995 2.9877 2.9877 3.0638 3.0638 3.2453 3.2453 3.3081 3.3081 3.4038 3.4038 3.4813 3.4813 4.1033 4.1033 4.2553 4.2553 4.3660 4.3660 4.4032 4.4032 8.4317 8.4317 k = 0.6060-0.2763-0.1864 ( 8821 PWs) bands (ev): -11.0199 -11.0199 -10.9875 -10.9875 -10.6995 -10.6995 -10.6680 -10.6680 -10.6037 -10.6037 -10.5759 -10.5759 -1.0467 -1.0467 -0.5362 -0.5362 -0.4456 -0.4456 -0.0126 -0.0126 0.1608 0.1608 0.4324 0.4324 0.5589 0.5589 0.7968 0.7968 0.8261 0.8261 1.0342 1.0342 1.1013 1.1013 1.3765 1.3765 1.6929 1.6929 1.7953 1.7953 1.9320 1.9320 2.1866 2.1866 2.2608 2.2608 2.4897 2.4897 2.9867 2.9867 3.0720 3.0720 3.2432 3.2432 3.3059 3.3059 3.4077 3.4077 3.4833 3.4833 4.1065 4.1065 4.2455 4.2455 4.3629 4.3629 4.4045 4.4045 8.4334 8.4334 k = 0.6211-0.2624-0.1770 ( 8816 PWs) bands (ev): -11.0156 -11.0156 -10.9826 -10.9826 -10.7126 -10.7126 -10.6723 -10.6723 -10.5993 -10.5993 -10.5732 -10.5732 -1.0424 -1.0424 -0.5264 -0.5264 -0.4280 -0.4280 -0.0101 -0.0101 0.1667 0.1667 0.4175 0.4175 0.5473 0.5473 0.8098 0.8098 0.8200 0.8200 1.0330 1.0330 1.1192 1.1192 1.3699 1.3699 1.6826 1.6826 1.7882 1.7882 1.9152 1.9152 2.1812 2.1812 2.2559 2.2559 2.4792 2.4792 2.9860 2.9860 3.0803 3.0803 3.2411 3.2411 3.3040 3.3040 3.4111 3.4111 3.4854 3.4854 4.1101 4.1101 4.2344 4.2344 4.3596 4.3596 4.4063 4.4063 8.4377 8.4377 k = 0.6362-0.2485-0.1676 ( 8818 PWs) bands (ev): -11.0109 -11.0109 -10.9772 -10.9772 -10.7261 -10.7261 -10.6763 -10.6763 -10.5950 -10.5950 -10.5712 -10.5712 -1.0375 -1.0375 -0.5166 -0.5166 -0.4082 -0.4082 -0.0085 -0.0085 0.1722 0.1722 0.4069 0.4069 0.5345 0.5345 0.8084 0.8084 0.8269 0.8269 1.0315 1.0315 1.1378 1.1378 1.3616 1.3616 1.6737 1.6737 1.7792 1.7792 1.8975 1.8975 2.1744 2.1744 2.2507 2.2507 2.4685 2.4685 2.9857 2.9857 3.0887 3.0887 3.2393 3.2393 3.3025 3.3025 3.4138 3.4138 3.4876 3.4876 4.1139 4.1139 4.2223 4.2223 4.3563 4.3563 4.4083 4.4083 8.4450 8.4450 k = 0.6514-0.2346-0.1583 ( 8818 PWs) bands (ev): -11.0059 -11.0059 -10.9711 -10.9711 -10.7399 -10.7399 -10.6801 -10.6801 -10.5909 -10.5909 -10.5698 -10.5698 -1.0321 -1.0321 -0.5070 -0.5070 -0.3864 -0.3864 -0.0079 -0.0079 0.1762 0.1762 0.4019 0.4019 0.5206 0.5206 0.8014 0.8014 0.8379 0.8379 1.0300 1.0300 1.1556 1.1556 1.3522 1.3522 1.6663 1.6663 1.7685 1.7685 1.8791 1.8791 2.1664 2.1664 2.2453 2.2453 2.4581 2.4581 2.9857 2.9857 3.0970 3.0970 3.2377 3.2377 3.3013 3.3013 3.4157 3.4157 3.4898 3.4898 4.1174 4.1174 4.2101 4.2101 4.3530 4.3530 4.4103 4.4103 8.4556 8.4556 k = 0.6665-0.2207-0.1489 ( 8829 PWs) bands (ev): -11.0008 -11.0008 -10.9645 -10.9645 -10.7538 -10.7538 -10.6837 -10.6837 -10.5869 -10.5869 -10.5692 -10.5692 -1.0261 -1.0261 -0.4982 -0.4982 -0.3627 -0.3627 -0.0082 -0.0082 0.1777 0.1777 0.4033 0.4033 0.5061 0.5061 0.7943 0.7943 0.8476 0.8476 1.0289 1.0289 1.1712 1.1712 1.3426 1.3426 1.6604 1.6604 1.7562 1.7562 1.8602 1.8602 2.1573 2.1573 2.2397 2.2397 2.4483 2.4483 2.9860 2.9860 3.1052 3.1052 3.2364 3.2364 3.3005 3.3005 3.4168 3.4168 3.4919 3.4919 4.1201 4.1201 4.1986 4.1986 4.3497 4.3497 4.4123 4.4123 8.4697 8.4697 k = 0.6816-0.2068-0.1395 ( 8827 PWs) bands (ev): -10.9957 -10.9957 -10.9574 -10.9574 -10.7676 -10.7676 -10.6871 -10.6871 -10.5831 -10.5831 -10.5692 -10.5692 -1.0197 -1.0197 -0.4903 -0.4903 -0.3374 -0.3374 -0.0094 -0.0094 0.1766 0.1766 0.4106 0.4106 0.4918 0.4918 0.7876 0.7876 0.8556 0.8556 1.0284 1.0284 1.1828 1.1828 1.3344 1.3344 1.6556 1.6556 1.7428 1.7428 1.8410 1.8410 2.1473 2.1473 2.2337 2.2337 2.4396 2.4396 2.9867 2.9867 3.1132 3.1132 3.2355 3.2355 3.3000 3.3000 3.4172 3.4172 3.4938 3.4938 4.1211 4.1211 4.1891 4.1891 4.3464 4.3464 4.4140 4.4140 8.4872 8.4872 k = 0.6968-0.1928-0.1301 ( 8829 PWs) bands (ev): -10.9909 -10.9909 -10.9497 -10.9497 -10.7810 -10.7810 -10.6902 -10.6902 -10.5795 -10.5795 -10.5698 -10.5698 -1.0129 -1.0129 -0.4839 -0.4839 -0.3108 -0.3108 -0.0116 -0.0116 0.1735 0.1735 0.4214 0.4214 0.4797 0.4797 0.7813 0.7813 0.8620 0.8620 1.0282 1.0282 1.1885 1.1885 1.3293 1.3293 1.6516 1.6516 1.7288 1.7288 1.8216 1.8216 2.1367 2.1367 2.2274 2.2274 2.4323 2.4323 2.9875 2.9875 3.1209 3.1209 3.2349 3.2349 3.2998 3.2998 3.4167 3.4167 3.4955 3.4955 4.1193 4.1193 4.1832 4.1832 4.3432 4.3432 4.4154 4.4154 8.5079 8.5079 k = 0.7119-0.1789-0.1207 ( 8825 PWs) bands (ev): -10.9868 -10.9868 -10.9415 -10.9415 -10.7937 -10.7937 -10.6931 -10.6931 -10.5760 -10.5760 -10.5710 -10.5710 -1.0059 -1.0059 -0.4792 -0.4792 -0.2831 -0.2831 -0.0149 -0.0149 0.1694 0.1694 0.4283 0.4283 0.4765 0.4765 0.7756 0.7756 0.8669 0.8669 1.0285 1.0285 1.1873 1.1873 1.3285 1.3285 1.6479 1.6479 1.7146 1.7146 1.8024 1.8024 2.1259 2.1259 2.2209 2.2209 2.4267 2.4267 2.9886 2.9886 3.1283 3.1283 3.2347 3.2347 3.2998 3.2998 3.4154 3.4154 3.4969 3.4969 4.1142 4.1142 4.1813 4.1813 4.3400 4.3400 4.4163 4.4163 8.5314 8.5314 k = 0.7271-0.1650-0.1113 ( 8827 PWs) bands (ev): -10.9837 -10.9837 -10.9328 -10.9328 -10.8053 -10.8053 -10.6958 -10.6958 -10.5730 -10.5730 -10.5726 -10.5726 -0.9986 -0.9986 -0.4763 -0.4763 -0.2547 -0.2547 -0.0196 -0.0196 0.1654 0.1654 0.4227 0.4227 0.4897 0.4897 0.7707 0.7707 0.8705 0.8705 1.0288 1.0288 1.1796 1.1796 1.3312 1.3312 1.6437 1.6437 1.7012 1.7012 1.7839 1.7839 2.1152 2.1152 2.2146 2.2146 2.4227 2.4227 2.9899 2.9899 3.1353 3.1353 3.2349 3.2349 3.3001 3.3001 3.4134 3.4134 3.4980 3.4980 4.1069 4.1069 4.1828 4.1828 4.3369 4.3369 4.4168 4.4168 8.5573 8.5573 k = 0.7422-0.1511-0.1019 ( 8823 PWs) bands (ev): -10.9821 -10.9821 -10.9236 -10.9236 -10.8152 -10.8152 -10.6981 -10.6981 -10.5751 -10.5751 -10.5697 -10.5697 -0.9912 -0.9912 -0.4755 -0.4755 -0.2261 -0.2261 -0.0257 -0.0257 0.1622 0.1622 0.4104 0.4104 0.5127 0.5127 0.7668 0.7668 0.8730 0.8730 1.0289 1.0289 1.1675 1.1675 1.3357 1.3357 1.6380 1.6380 1.6892 1.6892 1.7665 1.7665 2.1049 2.1049 2.2086 2.2086 2.4205 2.4205 2.9914 2.9914 3.1420 3.1420 3.2354 3.2354 3.3006 3.3006 3.4106 3.4106 3.4987 3.4987 4.0986 4.0986 4.1864 4.1864 4.3340 4.3340 4.4167 4.4167 8.5849 8.5849 k = 0.7573-0.1372-0.0925 ( 8826 PWs) bands (ev): -10.9826 -10.9826 -10.9140 -10.9140 -10.8229 -10.8229 -10.7002 -10.7002 -10.5779 -10.5779 -10.5669 -10.5669 -0.9839 -0.9839 -0.4768 -0.4768 -0.1980 -0.1980 -0.0331 -0.0331 0.1600 0.1600 0.3971 0.3971 0.5393 0.5393 0.7641 0.7641 0.8749 0.8749 1.0281 1.0281 1.1533 1.1533 1.3399 1.3399 1.6297 1.6297 1.6795 1.6795 1.7511 1.7511 2.0956 2.0956 2.2034 2.2034 2.4200 2.4200 2.9929 2.9929 3.1483 3.1483 3.2362 3.2362 3.3012 3.3012 3.4073 3.4073 3.4989 3.4989 4.0905 4.0905 4.1912 4.1912 4.3313 4.3313 4.4160 4.4160 8.6136 8.6136 k = 0.7725-0.1233-0.0831 ( 8821 PWs) bands (ev): -10.9856 -10.9856 -10.9039 -10.9039 -10.8280 -10.8280 -10.7021 -10.7021 -10.5811 -10.5811 -10.5643 -10.5643 -0.9767 -0.9767 -0.4802 -0.4802 -0.1714 -0.1714 -0.0413 -0.0413 0.1583 0.1583 0.3854 0.3854 0.5669 0.5669 0.7630 0.7630 0.8764 0.8764 1.0260 1.0260 1.1388 1.1388 1.3426 1.3426 1.6180 1.6180 1.6721 1.6721 1.7387 1.7387 2.0876 2.0876 2.1991 2.1991 2.4211 2.4211 2.9946 2.9946 3.1542 3.1542 3.2373 3.2373 3.3020 3.3020 3.4033 3.4033 3.4987 3.4987 4.0834 4.0834 4.1965 4.1965 4.3288 4.3288 4.4148 4.4148 8.6425 8.6425 Writing output data file FeBr3.save init_run : 0.49s CPU 0.83s WALL ( 1 calls) electrons : 392.87s CPU 413.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 392.86s CPU 413.88s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.14s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 217 calls) cegterg : 365.57s CPU 384.80s WALL ( 415 calls) Called by sum_band: Called by *egterg: h_psi : 246.50s CPU 269.09s WALL ( 7084 calls) s_psi : 12.07s CPU 12.24s WALL ( 7084 calls) g_psi : 0.80s CPU 0.83s WALL ( 6452 calls) cdiaghg : 80.80s CPU 78.38s WALL ( 6669 calls) cegterg:over : 19.72s CPU 18.29s WALL ( 6452 calls) cegterg:upda : 7.81s CPU 10.12s WALL ( 6452 calls) cegterg:last : 6.26s CPU 6.71s WALL ( 1066 calls) Called by h_psi: h_psi:vloc : 229.40s CPU 249.92s WALL ( 7084 calls) h_psi:vnl : 16.90s CPU 18.77s WALL ( 7084 calls) add_vuspsi : 7.50s CPU 9.08s WALL ( 7084 calls) General routines calbec : 9.40s CPU 9.67s WALL ( 7084 calls) fft : 0.03s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 224.35s CPU 236.27s WALL ( 888416 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.24s WALL ( 434 calls) Parallel routines fft_scatter : 180.55s CPU 115.06s WALL ( 888439 calls) PWSCF : 7m 1.23s CPU 7m41.18s WALL This run was terminated on: 0:34: 4 28Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=