Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:20:43 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 32 8 1306 961 139 Max 40 33 9 1309 982 145 Sum 2835 2337 647 94101 69851 10299 bravais-lattice index = 14 lattice parameter (alat) = 13.5160 a.u. unit-cell volume = 1464.8256 (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)= 13.515988 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.600032 celldm(5)= 0.600032 celldm(6)= 0.600032 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.600032 0.799976 0.000000 ) a(3) = ( 0.600032 0.300001 0.741593 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.750063 -0.505685 ) b(2) = ( 0.000000 1.250038 -0.505685 ) b(3) = ( 0.000000 0.000000 1.348448 ) PseudoPot. # 1 for Fe read from file: /users/gautes/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: /users/gautes/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 and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 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 -0.0125011 -0.0084281), wk = 0.0046083 k( 3) = ( 0.0333333 -0.0250021 -0.0168562), wk = 0.0046083 k( 4) = ( 0.0500000 -0.0375032 -0.0252843), wk = 0.0046083 k( 5) = ( 0.0666667 -0.0500042 -0.0337123), wk = 0.0046083 k( 6) = ( 0.0833333 -0.0625053 -0.0421404), wk = 0.0046083 k( 7) = ( 0.1000000 -0.0750063 -0.0505685), wk = 0.0046083 k( 8) = ( 0.1166667 -0.0875074 -0.0589966), wk = 0.0046083 k( 9) = ( 0.1333333 -0.1000084 -0.0674247), wk = 0.0046083 k( 10) = ( 0.1500000 -0.1125095 -0.0758528), wk = 0.0046083 k( 11) = ( 0.1666667 -0.1250106 -0.0842809), wk = 0.0046083 k( 12) = ( 0.1833333 -0.1375116 -0.0927089), wk = 0.0046083 k( 13) = ( 0.2000000 -0.1500127 -0.1011370), wk = 0.0046083 k( 14) = ( 0.2166667 -0.1625137 -0.1095651), wk = 0.0046083 k( 15) = ( 0.2333333 -0.1750148 -0.1179932), wk = 0.0046083 k( 16) = ( 0.2500000 -0.1875158 -0.1264213), wk = 0.0046083 k( 17) = ( 0.2666667 -0.2000169 -0.1348494), wk = 0.0046083 k( 18) = ( 0.2833333 -0.2125180 -0.1432775), wk = 0.0046083 k( 19) = ( 0.3000000 -0.2250190 -0.1517056), wk = 0.0046083 k( 20) = ( 0.3166667 -0.2375201 -0.1601336), wk = 0.0046083 k( 21) = ( 0.3333333 -0.2500211 -0.1685617), wk = 0.0046083 k( 22) = ( 0.3500000 -0.2625222 -0.1769898), wk = 0.0046083 k( 23) = ( 0.3666667 -0.2750232 -0.1854179), wk = 0.0046083 k( 24) = ( 0.3833333 -0.2875243 -0.1938460), wk = 0.0046083 k( 25) = ( 0.4000000 -0.3000254 -0.2022741), wk = 0.0046083 k( 26) = ( 0.4166667 -0.3125264 -0.2107022), wk = 0.0046083 k( 27) = ( 0.4333333 -0.3250275 -0.2191302), wk = 0.0046083 k( 28) = ( 0.4500000 -0.3375285 -0.2275583), wk = 0.0046083 k( 29) = ( 0.4666667 -0.3500296 -0.2359864), wk = 0.0046083 k( 30) = ( 0.4833333 -0.3625306 -0.2444145), wk = 0.0046083 k( 31) = ( 0.5000000 -0.3750317 -0.2528426), wk = 0.0046083 k( 32) = ( 0.5000000 -0.3750317 -0.2528426), wk = 0.0046083 k( 33) = ( 0.5000000 -0.3626799 -0.2711635), wk = 0.0046083 k( 34) = ( 0.5000000 -0.3503281 -0.2894845), wk = 0.0046083 k( 35) = ( 0.5000000 -0.3379763 -0.3078054), wk = 0.0046083 k( 36) = ( 0.5000000 -0.3256245 -0.3261263), wk = 0.0046083 k( 37) = ( 0.5000000 -0.3132727 -0.3444473), wk = 0.0046083 k( 38) = ( 0.5000000 -0.3009209 -0.3627682), wk = 0.0046083 k( 39) = ( 0.5000000 -0.2885692 -0.3810891), wk = 0.0046083 k( 40) = ( 0.5000000 -0.2762174 -0.3994101), wk = 0.0046083 k( 41) = ( 0.5000000 -0.2638656 -0.4177310), wk = 0.0046083 k( 42) = ( 0.5000000 -0.2515138 -0.4360519), wk = 0.0046083 k( 43) = ( 0.5000000 -0.2391620 -0.4543729), wk = 0.0046083 k( 44) = ( 0.5000000 -0.2268102 -0.4726938), wk = 0.0046083 k( 45) = ( 0.5000000 -0.2144584 -0.4910148), wk = 0.0046083 k( 46) = ( 0.5000000 -0.2021066 -0.5093357), wk = 0.0046083 k( 47) = ( 0.5000000 -0.1897548 -0.5276566), wk = 0.0046083 k( 48) = ( 0.5000000 -0.1774031 -0.5459775), wk = 0.0046083 k( 49) = ( 0.5000000 -0.1650513 -0.5642985), wk = 0.0046083 k( 50) = ( 0.5000000 -0.1526995 -0.5826194), wk = 0.0046083 k( 51) = ( 0.5000000 -0.1403477 -0.6009404), wk = 0.0046083 k( 52) = ( 0.5000000 -0.1279959 -0.6192613), wk = 0.0046083 k( 53) = ( 0.5000000 -0.1156441 -0.6375822), wk = 0.0046083 k( 54) = ( 0.5000000 -0.1032923 -0.6559032), wk = 0.0046083 k( 55) = ( 0.5000000 -0.0909405 -0.6742241), wk = 0.0046083 k( 56) = ( 0.7727340 0.0454196 -0.3371462), wk = 0.0046083 k( 57) = ( 0.7626327 0.0529961 -0.3184172), wk = 0.0046083 k( 58) = ( 0.7525315 0.0605727 -0.2996881), wk = 0.0046083 k( 59) = ( 0.7424302 0.0681493 -0.2809590), wk = 0.0046083 k( 60) = ( 0.7323289 0.0757259 -0.2622299), wk = 0.0046083 k( 61) = ( 0.7222277 0.0833025 -0.2435008), wk = 0.0046083 k( 62) = ( 0.7121264 0.0908791 -0.2247718), wk = 0.0046083 k( 63) = ( 0.7020252 0.0984556 -0.2060427), wk = 0.0046083 k( 64) = ( 0.6919239 0.1060322 -0.1873136), wk = 0.0046083 k( 65) = ( 0.6818226 0.1136088 -0.1685845), wk = 0.0046083 k( 66) = ( 0.6717214 0.1211854 -0.1498554), wk = 0.0046083 k( 67) = ( 0.6616201 0.1287620 -0.1311263), wk = 0.0046083 k( 68) = ( 0.6515189 0.1363386 -0.1123973), wk = 0.0046083 k( 69) = ( 0.6414176 0.1439151 -0.0936682), wk = 0.0046083 k( 70) = ( 0.6313164 0.1514917 -0.0749391), wk = 0.0046083 k( 71) = ( 0.6212151 0.1590683 -0.0562100), wk = 0.0046083 k( 72) = ( 0.6111138 0.1666449 -0.0374809), wk = 0.0046083 k( 73) = ( 0.6010126 0.1742215 -0.0187519), wk = 0.0046083 k( 74) = ( 0.5909113 0.1817981 -0.0000228), wk = 0.0046083 k( 75) = ( 0.5808101 0.1893746 0.0187063), wk = 0.0046083 k( 76) = ( 0.5707088 0.1969512 0.0374354), wk = 0.0046083 k( 77) = ( 0.5606075 0.2045278 0.0561645), wk = 0.0046083 k( 78) = ( 0.5505063 0.2121044 0.0748935), wk = 0.0046083 k( 79) = ( 0.5404050 0.2196810 0.0936226), wk = 0.0046083 k( 80) = ( 0.5303038 0.2272576 0.1123517), wk = 0.0046083 k( 81) = ( 0.5202025 0.2348342 0.1310808), wk = 0.0046083 k( 82) = ( 0.5101013 0.2424107 0.1498099), wk = 0.0046083 k( 83) = ( 0.5000000 0.2499873 0.1685389), wk = 0.0046083 k( 84) = ( 0.5000000 0.2499873 0.1685389), wk = 0.0046083 k( 85) = ( 0.4807692 0.2403724 0.1620567), wk = 0.0046083 k( 86) = ( 0.4615385 0.2307575 0.1555744), wk = 0.0046083 k( 87) = ( 0.4423077 0.2211426 0.1490921), wk = 0.0046083 k( 88) = ( 0.4230769 0.2115277 0.1426099), wk = 0.0046083 k( 89) = ( 0.4038462 0.2019128 0.1361276), wk = 0.0046083 k( 90) = ( 0.3846154 0.1922979 0.1296453), wk = 0.0046083 k( 91) = ( 0.3653846 0.1826830 0.1231631), wk = 0.0046083 k( 92) = ( 0.3461538 0.1730681 0.1166808), wk = 0.0046083 k( 93) = ( 0.3269231 0.1634533 0.1101985), wk = 0.0046083 k( 94) = ( 0.3076923 0.1538384 0.1037163), wk = 0.0046083 k( 95) = ( 0.2884615 0.1442235 0.0972340), wk = 0.0046083 k( 96) = ( 0.2692308 0.1346086 0.0907517), wk = 0.0046083 k( 97) = ( 0.2500000 0.1249937 0.0842695), wk = 0.0046083 k( 98) = ( 0.2307692 0.1153788 0.0777872), wk = 0.0046083 k( 99) = ( 0.2115385 0.1057639 0.0713049), wk = 0.0046083 k( 100) = ( 0.1923077 0.0961490 0.0648227), wk = 0.0046083 k( 101) = ( 0.1730769 0.0865341 0.0583404), wk = 0.0046083 k( 102) = ( 0.1538461 0.0769192 0.0518581), wk = 0.0046083 k( 103) = ( 0.1346154 0.0673043 0.0453759), wk = 0.0046083 k( 104) = ( 0.1153846 0.0576894 0.0388936), wk = 0.0046083 k( 105) = ( 0.0961538 0.0480745 0.0324113), wk = 0.0046083 k( 106) = ( 0.0769231 0.0384596 0.0259291), wk = 0.0046083 k( 107) = ( 0.0576923 0.0288447 0.0194468), wk = 0.0046083 k( 108) = ( 0.0384615 0.0192298 0.0129645), wk = 0.0046083 k( 109) = ( 0.0192308 0.0096149 0.0064823), 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) = ( 0.0101009 -0.0075763 -0.0187285), wk = 0.0046083 k( 113) = ( 0.0202018 -0.0151527 -0.0374569), wk = 0.0046083 k( 114) = ( 0.0303027 -0.0227290 -0.0561853), wk = 0.0046083 k( 115) = ( 0.0404037 -0.0303053 -0.0749138), wk = 0.0046083 k( 116) = ( 0.0505046 -0.0378816 -0.0936422), wk = 0.0046083 k( 117) = ( 0.0606055 -0.0454580 -0.1123707), wk = 0.0046083 k( 118) = ( 0.0707064 -0.0530343 -0.1310991), wk = 0.0046083 k( 119) = ( 0.0808073 -0.0606106 -0.1498276), wk = 0.0046083 k( 120) = ( 0.0909082 -0.0681869 -0.1685560), wk = 0.0046083 k( 121) = ( 0.1010092 -0.0757633 -0.1872845), wk = 0.0046083 k( 122) = ( 0.1111101 -0.0833396 -0.2060129), wk = 0.0046083 k( 123) = ( 0.1212110 -0.0909159 -0.2247414), wk = 0.0046083 k( 124) = ( 0.1313119 -0.0984923 -0.2434698), wk = 0.0046083 k( 125) = ( 0.1414128 -0.1060686 -0.2621983), wk = 0.0046083 k( 126) = ( 0.1515138 -0.1136449 -0.2809267), wk = 0.0046083 k( 127) = ( 0.1616147 -0.1212212 -0.2996552), wk = 0.0046083 k( 128) = ( 0.1717156 -0.1287976 -0.3183836), wk = 0.0046083 k( 129) = ( 0.1818165 -0.1363739 -0.3371121), wk = 0.0046083 k( 130) = ( 0.1919174 -0.1439502 -0.3558405), wk = 0.0046083 k( 131) = ( 0.2020183 -0.1515266 -0.3745689), wk = 0.0046083 k( 132) = ( 0.2121193 -0.1591029 -0.3932974), wk = 0.0046083 k( 133) = ( 0.2222202 -0.1666792 -0.4120258), wk = 0.0046083 k( 134) = ( 0.2323211 -0.1742555 -0.4307543), wk = 0.0046083 k( 135) = ( 0.2424220 -0.1818319 -0.4494827), wk = 0.0046083 k( 136) = ( 0.2525229 -0.1894082 -0.4682112), wk = 0.0046083 k( 137) = ( 0.2626238 -0.1969845 -0.4869396), wk = 0.0046083 k( 138) = ( 0.2727248 -0.2045609 -0.5056681), wk = 0.0046083 k( 139) = ( 0.2828257 -0.2121372 -0.5243965), wk = 0.0046083 k( 140) = ( 0.2929266 -0.2197135 -0.5431250), wk = 0.0046083 k( 141) = ( 0.3030275 -0.2272898 -0.5618534), wk = 0.0046083 k( 142) = ( 0.3131284 -0.2348662 -0.5805819), wk = 0.0046083 k( 143) = ( 0.3232293 -0.2424425 -0.5993103), wk = 0.0046083 k( 144) = ( 0.3333303 -0.2500188 -0.6180388), wk = 0.0046083 k( 145) = ( 0.3434312 -0.2575952 -0.6367672), wk = 0.0046083 k( 146) = ( 0.3535321 -0.2651715 -0.6554956), wk = 0.0046083 k( 147) = ( 0.3636330 -0.2727478 -0.6742241), wk = 0.0046083 k( 148) = ( 0.6363670 -0.0227605 -0.5056852), wk = 0.0046083 k( 149) = ( 0.6266265 -0.0032785 -0.5056852), wk = 0.0046083 k( 150) = ( 0.6168860 0.0162035 -0.5056852), wk = 0.0046083 k( 151) = ( 0.6071455 0.0356855 -0.5056852), wk = 0.0046083 k( 152) = ( 0.5974050 0.0551675 -0.5056852), wk = 0.0046083 k( 153) = ( 0.5876645 0.0746495 -0.5056852), wk = 0.0046083 k( 154) = ( 0.5779240 0.0941314 -0.5056852), wk = 0.0046083 k( 155) = ( 0.5681835 0.1136134 -0.5056852), wk = 0.0046083 k( 156) = ( 0.5584430 0.1330954 -0.5056852), wk = 0.0046083 k( 157) = ( 0.5487025 0.1525774 -0.5056852), wk = 0.0046083 k( 158) = ( 0.5389620 0.1720594 -0.5056852), wk = 0.0046083 k( 159) = ( 0.5292215 0.1915414 -0.5056852), wk = 0.0046083 k( 160) = ( 0.5194810 0.2110233 -0.5056852), wk = 0.0046083 k( 161) = ( 0.5097405 0.2305053 -0.5056852), wk = 0.0046083 k( 162) = ( 0.5000000 0.2499873 -0.5056852), wk = 0.0046083 k( 163) = ( 0.5000000 0.2499873 -0.5056852), wk = 0.0046083 k( 164) = ( 0.5136367 0.2568053 -0.4888313), wk = 0.0046083 k( 165) = ( 0.5272734 0.2636233 -0.4719774), wk = 0.0046083 k( 166) = ( 0.5409101 0.2704413 -0.4551235), wk = 0.0046083 k( 167) = ( 0.5545468 0.2772593 -0.4382696), wk = 0.0046083 k( 168) = ( 0.5681835 0.2840773 -0.4214157), wk = 0.0046083 k( 169) = ( 0.5818202 0.2908953 -0.4045618), wk = 0.0046083 k( 170) = ( 0.5954569 0.2977133 -0.3877079), wk = 0.0046083 k( 171) = ( 0.6090936 0.3045314 -0.3708540), wk = 0.0046083 k( 172) = ( 0.6227303 0.3113494 -0.3540001), wk = 0.0046083 k( 173) = ( 0.6363670 0.3181674 -0.3371462), wk = 0.0046083 k( 174) = ( 0.6363670 0.3181674 -0.3371462), wk = 0.0046083 k( 175) = ( 0.6306850 0.3153265 -0.3160760), wk = 0.0046083 k( 176) = ( 0.6250031 0.3124857 -0.2950058), wk = 0.0046083 k( 177) = ( 0.6193211 0.3096449 -0.2739356), wk = 0.0046083 k( 178) = ( 0.6136392 0.3068040 -0.2528654), wk = 0.0046083 k( 179) = ( 0.6079572 0.3039632 -0.2317952), wk = 0.0046083 k( 180) = ( 0.6022752 0.3011224 -0.2107249), wk = 0.0046083 k( 181) = ( 0.5965933 0.2982815 -0.1896547), wk = 0.0046083 k( 182) = ( 0.5909113 0.2954407 -0.1685845), wk = 0.0046083 k( 183) = ( 0.5852294 0.2925998 -0.1475143), wk = 0.0046083 k( 184) = ( 0.5795474 0.2897590 -0.1264441), wk = 0.0046083 k( 185) = ( 0.5738654 0.2869182 -0.1053739), wk = 0.0046083 k( 186) = ( 0.5681835 0.2840773 -0.0843036), wk = 0.0046083 k( 187) = ( 0.5625015 0.2812365 -0.0632334), wk = 0.0046083 k( 188) = ( 0.5568196 0.2783957 -0.0421632), wk = 0.0046083 k( 189) = ( 0.5511376 0.2755548 -0.0210930), wk = 0.0046083 k( 190) = ( 0.5454557 0.2727140 -0.0000228), wk = 0.0046083 k( 191) = ( 0.5397737 0.2698732 0.0210474), wk = 0.0046083 k( 192) = ( 0.5340917 0.2670323 0.0421176), wk = 0.0046083 k( 193) = ( 0.5284098 0.2641915 0.0631879), wk = 0.0046083 k( 194) = ( 0.5227278 0.2613507 0.0842581), wk = 0.0046083 k( 195) = ( 0.5170459 0.2585098 0.1053283), wk = 0.0046083 k( 196) = ( 0.5113639 0.2556690 0.1263985), wk = 0.0046083 k( 197) = ( 0.5056820 0.2528282 0.1474687), wk = 0.0046083 k( 198) = ( 0.5000000 0.2499873 0.1685389), wk = 0.0046083 k( 199) = ( 0.5000000 -0.3750317 -0.2528426), wk = 0.0046083 k( 200) = ( 0.5151519 -0.3611435 -0.2434793), wk = 0.0046083 k( 201) = ( 0.5303038 -0.3472553 -0.2341160), wk = 0.0046083 k( 202) = ( 0.5454557 -0.3333671 -0.2247528), wk = 0.0046083 k( 203) = ( 0.5606075 -0.3194789 -0.2153895), wk = 0.0046083 k( 204) = ( 0.5757594 -0.3055908 -0.2060262), wk = 0.0046083 k( 205) = ( 0.5909113 -0.2917026 -0.1966629), wk = 0.0046083 k( 206) = ( 0.6060632 -0.2778144 -0.1872997), wk = 0.0046083 k( 207) = ( 0.6212151 -0.2639262 -0.1779364), wk = 0.0046083 k( 208) = ( 0.6363670 -0.2500380 -0.1685731), wk = 0.0046083 k( 209) = ( 0.6515189 -0.2361498 -0.1592098), wk = 0.0046083 k( 210) = ( 0.6666708 -0.2222617 -0.1498466), wk = 0.0046083 k( 211) = ( 0.6818226 -0.2083735 -0.1404833), wk = 0.0046083 k( 212) = ( 0.6969745 -0.1944853 -0.1311200), wk = 0.0046083 k( 213) = ( 0.7121264 -0.1805971 -0.1217567), wk = 0.0046083 k( 214) = ( 0.7272783 -0.1667089 -0.1123935), wk = 0.0046083 k( 215) = ( 0.7424302 -0.1528207 -0.1030302), wk = 0.0046083 k( 216) = ( 0.7575821 -0.1389325 -0.0936669), wk = 0.0046083 k( 217) = ( 0.7727340 -0.1250444 -0.0843037), 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 0.0098811 -0.0098811), wk = 0.0046083 k( 34) = ( 0.5000000 0.0197623 -0.0197623), wk = 0.0046083 k( 35) = ( 0.5000000 0.0296434 -0.0296434), wk = 0.0046083 k( 36) = ( 0.5000000 0.0395245 -0.0395245), wk = 0.0046083 k( 37) = ( 0.5000000 0.0494057 -0.0494057), wk = 0.0046083 k( 38) = ( 0.5000000 0.0592868 -0.0592868), wk = 0.0046083 k( 39) = ( 0.5000000 0.0691679 -0.0691679), wk = 0.0046083 k( 40) = ( 0.5000000 0.0790491 -0.0790490), wk = 0.0046083 k( 41) = ( 0.5000000 0.0889302 -0.0889302), wk = 0.0046083 k( 42) = ( 0.5000000 0.0988113 -0.0988113), wk = 0.0046083 k( 43) = ( 0.5000000 0.1086925 -0.1086924), wk = 0.0046083 k( 44) = ( 0.5000000 0.1185736 -0.1185736), wk = 0.0046083 k( 45) = ( 0.5000000 0.1284547 -0.1284547), wk = 0.0046083 k( 46) = ( 0.5000000 0.1383358 -0.1383358), wk = 0.0046083 k( 47) = ( 0.5000000 0.1482170 -0.1482170), wk = 0.0046083 k( 48) = ( 0.5000000 0.1580981 -0.1580981), wk = 0.0046083 k( 49) = ( 0.5000000 0.1679792 -0.1679792), wk = 0.0046083 k( 50) = ( 0.5000000 0.1778604 -0.1778604), wk = 0.0046083 k( 51) = ( 0.5000000 0.1877415 -0.1877415), wk = 0.0046083 k( 52) = ( 0.5000000 0.1976226 -0.1976226), wk = 0.0046083 k( 53) = ( 0.5000000 0.2075038 -0.2075038), wk = 0.0046083 k( 54) = ( 0.5000000 0.2173849 -0.2173849), wk = 0.0046083 k( 55) = ( 0.5000000 0.2272660 -0.2272660), wk = 0.0046083 k( 56) = ( 0.7727340 0.5000000 0.2272660), wk = 0.0046083 k( 57) = ( 0.7626327 0.5000000 0.2373673), wk = 0.0046083 k( 58) = ( 0.7525315 0.5000000 0.2474685), wk = 0.0046083 k( 59) = ( 0.7424302 0.5000000 0.2575698), wk = 0.0046083 k( 60) = ( 0.7323289 0.5000000 0.2676711), wk = 0.0046083 k( 61) = ( 0.7222277 0.5000000 0.2777723), wk = 0.0046083 k( 62) = ( 0.7121264 0.5000000 0.2878736), wk = 0.0046083 k( 63) = ( 0.7020252 0.5000000 0.2979748), wk = 0.0046083 k( 64) = ( 0.6919239 0.5000000 0.3080761), wk = 0.0046083 k( 65) = ( 0.6818226 0.5000000 0.3181774), wk = 0.0046083 k( 66) = ( 0.6717214 0.5000000 0.3282786), wk = 0.0046083 k( 67) = ( 0.6616201 0.5000000 0.3383799), wk = 0.0046083 k( 68) = ( 0.6515189 0.5000000 0.3484811), wk = 0.0046083 k( 69) = ( 0.6414176 0.5000000 0.3585824), wk = 0.0046083 k( 70) = ( 0.6313164 0.5000000 0.3686836), wk = 0.0046083 k( 71) = ( 0.6212151 0.5000000 0.3787849), wk = 0.0046083 k( 72) = ( 0.6111138 0.5000000 0.3888862), wk = 0.0046083 k( 73) = ( 0.6010126 0.5000000 0.3989874), wk = 0.0046083 k( 74) = ( 0.5909113 0.5000000 0.4090887), wk = 0.0046083 k( 75) = ( 0.5808101 0.5000000 0.4191899), wk = 0.0046083 k( 76) = ( 0.5707088 0.5000000 0.4292912), wk = 0.0046083 k( 77) = ( 0.5606075 0.5000000 0.4393924), wk = 0.0046083 k( 78) = ( 0.5505063 0.5000000 0.4494937), wk = 0.0046083 k( 79) = ( 0.5404050 0.5000000 0.4595950), wk = 0.0046083 k( 80) = ( 0.5303038 0.5000000 0.4696962), wk = 0.0046083 k( 81) = ( 0.5202025 0.5000000 0.4797975), wk = 0.0046083 k( 82) = ( 0.5101013 0.5000000 0.4898987), 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) = ( 0.0101009 0.0000000 -0.0101009), wk = 0.0046083 k( 113) = ( 0.0202018 0.0000000 -0.0202018), wk = 0.0046083 k( 114) = ( 0.0303027 0.0000000 -0.0303027), wk = 0.0046083 k( 115) = ( 0.0404037 0.0000000 -0.0404037), wk = 0.0046083 k( 116) = ( 0.0505046 0.0000000 -0.0505046), wk = 0.0046083 k( 117) = ( 0.0606055 0.0000000 -0.0606055), wk = 0.0046083 k( 118) = ( 0.0707064 0.0000000 -0.0707064), wk = 0.0046083 k( 119) = ( 0.0808073 0.0000000 -0.0808073), wk = 0.0046083 k( 120) = ( 0.0909082 0.0000000 -0.0909082), wk = 0.0046083 k( 121) = ( 0.1010092 0.0000000 -0.1010092), wk = 0.0046083 k( 122) = ( 0.1111101 0.0000000 -0.1111101), wk = 0.0046083 k( 123) = ( 0.1212110 0.0000000 -0.1212110), wk = 0.0046083 k( 124) = ( 0.1313119 0.0000000 -0.1313119), wk = 0.0046083 k( 125) = ( 0.1414128 0.0000000 -0.1414128), wk = 0.0046083 k( 126) = ( 0.1515138 0.0000000 -0.1515137), wk = 0.0046083 k( 127) = ( 0.1616147 0.0000000 -0.1616147), wk = 0.0046083 k( 128) = ( 0.1717156 0.0000000 -0.1717156), wk = 0.0046083 k( 129) = ( 0.1818165 0.0000000 -0.1818165), wk = 0.0046083 k( 130) = ( 0.1919174 0.0000000 -0.1919174), wk = 0.0046083 k( 131) = ( 0.2020183 0.0000000 -0.2020183), wk = 0.0046083 k( 132) = ( 0.2121193 0.0000000 -0.2121193), wk = 0.0046083 k( 133) = ( 0.2222202 0.0000000 -0.2222202), wk = 0.0046083 k( 134) = ( 0.2323211 0.0000000 -0.2323211), wk = 0.0046083 k( 135) = ( 0.2424220 0.0000000 -0.2424220), wk = 0.0046083 k( 136) = ( 0.2525229 0.0000000 -0.2525229), wk = 0.0046083 k( 137) = ( 0.2626238 0.0000000 -0.2626238), wk = 0.0046083 k( 138) = ( 0.2727248 0.0000000 -0.2727248), wk = 0.0046083 k( 139) = ( 0.2828257 0.0000000 -0.2828257), wk = 0.0046083 k( 140) = ( 0.2929266 0.0000000 -0.2929266), wk = 0.0046083 k( 141) = ( 0.3030275 0.0000000 -0.3030275), wk = 0.0046083 k( 142) = ( 0.3131284 0.0000000 -0.3131284), wk = 0.0046083 k( 143) = ( 0.3232293 0.0000000 -0.3232293), wk = 0.0046083 k( 144) = ( 0.3333303 0.0000000 -0.3333303), wk = 0.0046083 k( 145) = ( 0.3434312 0.0000000 -0.3434312), wk = 0.0046083 k( 146) = ( 0.3535321 0.0000000 -0.3535321), wk = 0.0046083 k( 147) = ( 0.3636330 0.0000000 -0.3636330), wk = 0.0046083 k( 148) = ( 0.6363670 0.3636330 -0.0000000), wk = 0.0046083 k( 149) = ( 0.6266265 0.3733735 0.0000000), wk = 0.0046083 k( 150) = ( 0.6168860 0.3831140 0.0000000), wk = 0.0046083 k( 151) = ( 0.6071455 0.3928545 0.0000000), wk = 0.0046083 k( 152) = ( 0.5974050 0.4025950 -0.0000000), wk = 0.0046083 k( 153) = ( 0.5876645 0.4123355 0.0000000), wk = 0.0046083 k( 154) = ( 0.5779240 0.4220760 0.0000000), wk = 0.0046083 k( 155) = ( 0.5681835 0.4318165 -0.0000000), wk = 0.0046083 k( 156) = ( 0.5584430 0.4415570 0.0000000), wk = 0.0046083 k( 157) = ( 0.5487025 0.4512975 -0.0000000), wk = 0.0046083 k( 158) = ( 0.5389620 0.4610380 0.0000000), wk = 0.0046083 k( 159) = ( 0.5292215 0.4707785 -0.0000000), wk = 0.0046083 k( 160) = ( 0.5194810 0.4805190 0.0000000), wk = 0.0046083 k( 161) = ( 0.5097405 0.4902595 -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) = ( 0.5136367 0.5136367 0.0227266), wk = 0.0046083 k( 165) = ( 0.5272734 0.5272734 0.0454532), wk = 0.0046083 k( 166) = ( 0.5409101 0.5409101 0.0681798), wk = 0.0046083 k( 167) = ( 0.5545468 0.5545468 0.0909064), wk = 0.0046083 k( 168) = ( 0.5681835 0.5681835 0.1136330), wk = 0.0046083 k( 169) = ( 0.5818202 0.5818202 0.1363596), wk = 0.0046083 k( 170) = ( 0.5954569 0.5954569 0.1590862), wk = 0.0046083 k( 171) = ( 0.6090936 0.6090936 0.1818128), wk = 0.0046083 k( 172) = ( 0.6227303 0.6227303 0.2045394), wk = 0.0046083 k( 173) = ( 0.6363670 0.6363670 0.2272660), wk = 0.0046083 k( 174) = ( 0.6363670 0.6363670 0.2272660), wk = 0.0046083 k( 175) = ( 0.6306850 0.6306850 0.2386299), wk = 0.0046083 k( 176) = ( 0.6250031 0.6250031 0.2499939), wk = 0.0046083 k( 177) = ( 0.6193211 0.6193211 0.2613578), wk = 0.0046083 k( 178) = ( 0.6136392 0.6136392 0.2727217), wk = 0.0046083 k( 179) = ( 0.6079572 0.6079572 0.2840856), wk = 0.0046083 k( 180) = ( 0.6022752 0.6022752 0.2954495), wk = 0.0046083 k( 181) = ( 0.5965933 0.5965933 0.3068134), wk = 0.0046083 k( 182) = ( 0.5909113 0.5909113 0.3181774), wk = 0.0046083 k( 183) = ( 0.5852294 0.5852294 0.3295413), wk = 0.0046083 k( 184) = ( 0.5795474 0.5795474 0.3409052), wk = 0.0046083 k( 185) = ( 0.5738654 0.5738654 0.3522691), wk = 0.0046083 k( 186) = ( 0.5681835 0.5681835 0.3636330), wk = 0.0046083 k( 187) = ( 0.5625015 0.5625015 0.3749969), wk = 0.0046083 k( 188) = ( 0.5568196 0.5568196 0.3863608), wk = 0.0046083 k( 189) = ( 0.5511376 0.5511376 0.3977248), wk = 0.0046083 k( 190) = ( 0.5454557 0.5454557 0.4090887), wk = 0.0046083 k( 191) = ( 0.5397737 0.5397737 0.4204526), wk = 0.0046083 k( 192) = ( 0.5340917 0.5340917 0.4318165), wk = 0.0046083 k( 193) = ( 0.5284098 0.5284098 0.4431804), wk = 0.0046083 k( 194) = ( 0.5227278 0.5227278 0.4545443), wk = 0.0046083 k( 195) = ( 0.5170459 0.5170459 0.4659082), wk = 0.0046083 k( 196) = ( 0.5113639 0.5113639 0.4772722), wk = 0.0046083 k( 197) = ( 0.5056820 0.5056820 0.4886361), 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) = ( 0.5151519 0.0202018 0.0202018), wk = 0.0046083 k( 201) = ( 0.5303038 0.0404037 0.0404037), wk = 0.0046083 k( 202) = ( 0.5454557 0.0606055 0.0606055), wk = 0.0046083 k( 203) = ( 0.5606075 0.0808073 0.0808073), wk = 0.0046083 k( 204) = ( 0.5757594 0.1010092 0.1010092), wk = 0.0046083 k( 205) = ( 0.5909113 0.1212110 0.1212110), wk = 0.0046083 k( 206) = ( 0.6060632 0.1414128 0.1414128), wk = 0.0046083 k( 207) = ( 0.6212151 0.1616147 0.1616147), wk = 0.0046083 k( 208) = ( 0.6363670 0.1818165 0.1818165), wk = 0.0046083 k( 209) = ( 0.6515189 0.2020183 0.2020183), wk = 0.0046083 k( 210) = ( 0.6666708 0.2222202 0.2222202), wk = 0.0046083 k( 211) = ( 0.6818226 0.2424220 0.2424220), wk = 0.0046083 k( 212) = ( 0.6969745 0.2626238 0.2626238), wk = 0.0046083 k( 213) = ( 0.7121264 0.2828257 0.2828257), wk = 0.0046083 k( 214) = ( 0.7272783 0.3030275 0.3030275), wk = 0.0046083 k( 215) = ( 0.7424302 0.3232293 0.3232293), wk = 0.0046083 k( 216) = ( 0.7575821 0.3434312 0.3434312), wk = 0.0046083 k( 217) = ( 0.7727340 0.3636330 0.3636330), wk = 0.0046083 Dense grid: 94101 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 69851 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 240, 70) NL pseudopotentials 0.28 Mb ( 120, 152) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1307) G-vector shells 0.01 Mb ( 1192) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.03 Mb ( 240, 280) Each subspace H/S matrix 0.03 Mb ( 46, 46) 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 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 9.3 secs Computing kpt #: 8 total cpu time spent up to now is 10.3 secs Computing kpt #: 9 total cpu time spent up to now is 11.4 secs Computing kpt #: 10 total cpu time spent up to now is 12.5 secs Computing kpt #: 11 total cpu time spent up to now is 13.6 secs Computing kpt #: 12 total cpu time spent up to now is 14.6 secs Computing kpt #: 13 total cpu time spent up to now is 15.7 secs Computing kpt #: 14 total cpu time spent up to now is 16.9 secs Computing kpt #: 15 total cpu time spent up to now is 18.1 secs Computing kpt #: 16 total cpu time spent up to now is 19.2 secs Computing kpt #: 17 total cpu time spent up to now is 20.6 secs Computing kpt #: 18 total cpu time spent up to now is 21.9 secs Computing kpt #: 19 total cpu time spent up to now is 23.6 secs Computing kpt #: 20 total cpu time spent up to now is 25.2 secs Computing kpt #: 21 total cpu time spent up to now is 26.7 secs Computing kpt #: 22 total cpu time spent up to now is 28.2 secs Computing kpt #: 23 total cpu time spent up to now is 29.6 secs Computing kpt #: 24 total cpu time spent up to now is 31.0 secs Computing kpt #: 25 total cpu time spent up to now is 32.5 secs Computing kpt #: 26 total cpu time spent up to now is 34.0 secs Computing kpt #: 27 total cpu time spent up to now is 35.6 secs Computing kpt #: 28 total cpu time spent up to now is 37.2 secs Computing kpt #: 29 total cpu time spent up to now is 39.1 secs Computing kpt #: 30 total cpu time spent up to now is 40.5 secs Computing kpt #: 31 total cpu time spent up to now is 41.8 secs Computing kpt #: 32 total cpu time spent up to now is 43.2 secs Computing kpt #: 33 total cpu time spent up to now is 44.5 secs Computing kpt #: 34 total cpu time spent up to now is 45.9 secs Computing kpt #: 35 total cpu time spent up to now is 47.4 secs Computing kpt #: 36 total cpu time spent up to now is 48.9 secs Computing kpt #: 37 total cpu time spent up to now is 50.4 secs Computing kpt #: 38 total cpu time spent up to now is 51.8 secs Computing kpt #: 39 total cpu time spent up to now is 53.3 secs Computing kpt #: 40 total cpu time spent up to now is 54.7 secs Computing kpt #: 41 total cpu time spent up to now is 56.1 secs Computing kpt #: 42 total cpu time spent up to now is 57.6 secs Computing kpt #: 43 total cpu time spent up to now is 59.2 secs Computing kpt #: 44 total cpu time spent up to now is 60.6 secs Computing kpt #: 45 total cpu time spent up to now is 62.1 secs Computing kpt #: 46 total cpu time spent up to now is 63.7 secs Computing kpt #: 47 total cpu time spent up to now is 65.4 secs Computing kpt #: 48 total cpu time spent up to now is 67.0 secs Computing kpt #: 49 total cpu time spent up to now is 68.5 secs Computing kpt #: 50 total cpu time spent up to now is 70.8 secs Computing kpt #: 51 total cpu time spent up to now is 72.4 secs Computing kpt #: 52 total cpu time spent up to now is 74.0 secs Computing kpt #: 53 total cpu time spent up to now is 75.5 secs Computing kpt #: 54 total cpu time spent up to now is 77.0 secs Computing kpt #: 55 total cpu time spent up to now is 78.7 secs Computing kpt #: 56 total cpu time spent up to now is 80.3 secs Computing kpt #: 57 total cpu time spent up to now is 81.8 secs Computing kpt #: 58 total cpu time spent up to now is 83.4 secs Computing kpt #: 59 total cpu time spent up to now is 84.9 secs Computing kpt #: 60 total cpu time spent up to now is 86.4 secs Computing kpt #: 61 total cpu time spent up to now is 88.1 secs Computing kpt #: 62 total cpu time spent up to now is 89.6 secs Computing kpt #: 63 total cpu time spent up to now is 91.1 secs Computing kpt #: 64 total cpu time spent up to now is 92.6 secs Computing kpt #: 65 total cpu time spent up to now is 94.2 secs Computing kpt #: 66 total cpu time spent up to now is 95.8 secs Computing kpt #: 67 total cpu time spent up to now is 97.4 secs Computing kpt #: 68 total cpu time spent up to now is 99.2 secs Computing kpt #: 69 total cpu time spent up to now is 101.0 secs Computing kpt #: 70 total cpu time spent up to now is 102.6 secs Computing kpt #: 71 total cpu time spent up to now is 104.2 secs Computing kpt #: 72 total cpu time spent up to now is 105.8 secs Computing kpt #: 73 total cpu time spent up to now is 107.4 secs Computing kpt #: 74 total cpu time spent up to now is 109.0 secs Computing kpt #: 75 total cpu time spent up to now is 110.6 secs Computing kpt #: 76 total cpu time spent up to now is 112.2 secs Computing kpt #: 77 total cpu time spent up to now is 113.8 secs Computing kpt #: 78 total cpu time spent up to now is 115.5 secs Computing kpt #: 79 total cpu time spent up to now is 117.1 secs Computing kpt #: 80 total cpu time spent up to now is 120.9 secs Computing kpt #: 81 total cpu time spent up to now is 122.4 secs Computing kpt #: 82 total cpu time spent up to now is 124.2 secs Computing kpt #: 83 total cpu time spent up to now is 126.1 secs Computing kpt #: 84 total cpu time spent up to now is 127.7 secs Computing kpt #: 85 total cpu time spent up to now is 129.4 secs Computing kpt #: 86 total cpu time spent up to now is 131.1 secs Computing kpt #: 87 total cpu time spent up to now is 132.8 secs Computing kpt #: 88 total cpu time spent up to now is 134.3 secs Computing kpt #: 89 total cpu time spent up to now is 135.9 secs Computing kpt #: 90 total cpu time spent up to now is 137.6 secs Computing kpt #: 91 total cpu time spent up to now is 139.2 secs Computing kpt #: 92 total cpu time spent up to now is 140.8 secs Computing kpt #: 93 total cpu time spent up to now is 142.5 secs Computing kpt #: 94 total cpu time spent up to now is 144.0 secs Computing kpt #: 95 total cpu time spent up to now is 147.6 secs Computing kpt #: 96 total cpu time spent up to now is 149.1 secs Computing kpt #: 97 total cpu time spent up to now is 150.5 secs Computing kpt #: 98 total cpu time spent up to now is 151.9 secs Computing kpt #: 99 total cpu time spent up to now is 153.2 secs Computing kpt #: 100 total cpu time spent up to now is 154.4 secs Computing kpt #: 101 total cpu time spent up to now is 155.7 secs Computing kpt #: 102 total cpu time spent up to now is 156.9 secs Computing kpt #: 103 total cpu time spent up to now is 158.2 secs Computing kpt #: 104 total cpu time spent up to now is 159.3 secs Computing kpt #: 105 total cpu time spent up to now is 160.5 secs Computing kpt #: 106 total cpu time spent up to now is 161.5 secs Computing kpt #: 107 total cpu time spent up to now is 162.7 secs Computing kpt #: 108 total cpu time spent up to now is 163.8 secs Computing kpt #: 109 total cpu time spent up to now is 165.0 secs Computing kpt #: 110 total cpu time spent up to now is 166.1 secs Computing kpt #: 111 total cpu time spent up to now is 167.2 secs Computing kpt #: 112 total cpu time spent up to now is 168.4 secs Computing kpt #: 113 total cpu time spent up to now is 169.5 secs Computing kpt #: 114 total cpu time spent up to now is 170.5 secs Computing kpt #: 115 total cpu time spent up to now is 171.6 secs Computing kpt #: 116 total cpu time spent up to now is 172.7 secs Computing kpt #: 117 total cpu time spent up to now is 173.7 secs Computing kpt #: 118 total cpu time spent up to now is 174.8 secs Computing kpt #: 119 total cpu time spent up to now is 175.9 secs Computing kpt #: 120 total cpu time spent up to now is 177.1 secs Computing kpt #: 121 total cpu time spent up to now is 178.2 secs Computing kpt #: 122 total cpu time spent up to now is 179.3 secs Computing kpt #: 123 total cpu time spent up to now is 180.4 secs Computing kpt #: 124 total cpu time spent up to now is 181.7 secs Computing kpt #: 125 total cpu time spent up to now is 182.9 secs Computing kpt #: 126 total cpu time spent up to now is 184.0 secs Computing kpt #: 127 total cpu time spent up to now is 185.4 secs Computing kpt #: 128 total cpu time spent up to now is 186.8 secs Computing kpt #: 129 total cpu time spent up to now is 188.4 secs Computing kpt #: 130 total cpu time spent up to now is 190.1 secs Computing kpt #: 131 total cpu time spent up to now is 191.6 secs Computing kpt #: 132 total cpu time spent up to now is 193.2 secs Computing kpt #: 133 total cpu time spent up to now is 194.8 secs Computing kpt #: 134 total cpu time spent up to now is 196.4 secs Computing kpt #: 135 total cpu time spent up to now is 198.1 secs Computing kpt #: 136 total cpu time spent up to now is 199.8 secs Computing kpt #: 137 total cpu time spent up to now is 201.5 secs Computing kpt #: 138 total cpu time spent up to now is 203.2 secs Computing kpt #: 139 total cpu time spent up to now is 205.0 secs Computing kpt #: 140 total cpu time spent up to now is 206.7 secs Computing kpt #: 141 total cpu time spent up to now is 208.3 secs Computing kpt #: 142 total cpu time spent up to now is 210.0 secs Computing kpt #: 143 total cpu time spent up to now is 211.6 secs Computing kpt #: 144 total cpu time spent up to now is 213.1 secs Computing kpt #: 145 total cpu time spent up to now is 214.8 secs Computing kpt #: 146 total cpu time spent up to now is 216.3 secs Computing kpt #: 147 total cpu time spent up to now is 218.0 secs Computing kpt #: 148 total cpu time spent up to now is 219.6 secs Computing kpt #: 149 total cpu time spent up to now is 221.2 secs Computing kpt #: 150 total cpu time spent up to now is 222.8 secs Computing kpt #: 151 total cpu time spent up to now is 224.3 secs Computing kpt #: 152 total cpu time spent up to now is 226.0 secs Computing kpt #: 153 total cpu time spent up to now is 227.6 secs Computing kpt #: 154 total cpu time spent up to now is 229.2 secs Computing kpt #: 155 total cpu time spent up to now is 230.7 secs Computing kpt #: 156 total cpu time spent up to now is 232.5 secs Computing kpt #: 157 total cpu time spent up to now is 234.2 secs Computing kpt #: 158 total cpu time spent up to now is 235.9 secs Computing kpt #: 159 total cpu time spent up to now is 237.5 secs Computing kpt #: 160 total cpu time spent up to now is 239.3 secs Computing kpt #: 161 total cpu time spent up to now is 241.0 secs Computing kpt #: 162 total cpu time spent up to now is 242.7 secs Computing kpt #: 163 total cpu time spent up to now is 244.5 secs Computing kpt #: 164 total cpu time spent up to now is 246.2 secs Computing kpt #: 165 total cpu time spent up to now is 247.9 secs Computing kpt #: 166 total cpu time spent up to now is 249.6 secs Computing kpt #: 167 total cpu time spent up to now is 251.2 secs Computing kpt #: 168 total cpu time spent up to now is 252.9 secs Computing kpt #: 169 total cpu time spent up to now is 254.5 secs Computing kpt #: 170 total cpu time spent up to now is 256.2 secs Computing kpt #: 171 total cpu time spent up to now is 257.7 secs Computing kpt #: 172 total cpu time spent up to now is 259.3 secs Computing kpt #: 173 total cpu time spent up to now is 260.8 secs Computing kpt #: 174 total cpu time spent up to now is 262.3 secs Computing kpt #: 175 total cpu time spent up to now is 263.7 secs Computing kpt #: 176 total cpu time spent up to now is 265.2 secs Computing kpt #: 177 total cpu time spent up to now is 266.6 secs Computing kpt #: 178 total cpu time spent up to now is 268.1 secs Computing kpt #: 179 total cpu time spent up to now is 269.9 secs Computing kpt #: 180 total cpu time spent up to now is 271.6 secs Computing kpt #: 181 total cpu time spent up to now is 273.4 secs Computing kpt #: 182 total cpu time spent up to now is 275.1 secs Computing kpt #: 183 total cpu time spent up to now is 276.6 secs Computing kpt #: 184 total cpu time spent up to now is 278.2 secs Computing kpt #: 185 total cpu time spent up to now is 279.8 secs Computing kpt #: 186 total cpu time spent up to now is 281.3 secs Computing kpt #: 187 total cpu time spent up to now is 283.0 secs Computing kpt #: 188 total cpu time spent up to now is 284.6 secs Computing kpt #: 189 total cpu time spent up to now is 286.3 secs Computing kpt #: 190 total cpu time spent up to now is 288.0 secs Computing kpt #: 191 total cpu time spent up to now is 289.5 secs Computing kpt #: 192 total cpu time spent up to now is 291.2 secs Computing kpt #: 193 total cpu time spent up to now is 292.7 secs Computing kpt #: 194 total cpu time spent up to now is 294.5 secs Computing kpt #: 195 total cpu time spent up to now is 296.3 secs Computing kpt #: 196 total cpu time spent up to now is 298.1 secs Computing kpt #: 197 total cpu time spent up to now is 299.7 secs Computing kpt #: 198 total cpu time spent up to now is 301.2 secs Computing kpt #: 199 total cpu time spent up to now is 302.7 secs Computing kpt #: 200 total cpu time spent up to now is 304.2 secs Computing kpt #: 201 total cpu time spent up to now is 305.7 secs Computing kpt #: 202 total cpu time spent up to now is 307.2 secs Computing kpt #: 203 total cpu time spent up to now is 308.7 secs Computing kpt #: 204 total cpu time spent up to now is 310.2 secs Computing kpt #: 205 total cpu time spent up to now is 311.7 secs Computing kpt #: 206 total cpu time spent up to now is 313.3 secs Computing kpt #: 207 total cpu time spent up to now is 314.9 secs Computing kpt #: 208 total cpu time spent up to now is 316.3 secs Computing kpt #: 209 total cpu time spent up to now is 317.9 secs Computing kpt #: 210 total cpu time spent up to now is 319.3 secs Computing kpt #: 211 total cpu time spent up to now is 320.6 secs Computing kpt #: 212 total cpu time spent up to now is 322.0 secs Computing kpt #: 213 total cpu time spent up to now is 323.5 secs Computing kpt #: 214 total cpu time spent up to now is 325.0 secs Computing kpt #: 215 total cpu time spent up to now is 326.5 secs Computing kpt #: 216 total cpu time spent up to now is 327.9 secs Computing kpt #: 217 total cpu time spent up to now is 329.4 secs ethr = 1.72E-08, avg # of iterations = 25.3 total cpu time spent up to now is 329.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8787 PWs) bands (ev): -11.5714 -11.5714 -10.7986 -10.7986 -10.6602 -10.6602 -10.6583 -10.6583 -10.5859 -10.5859 -10.5853 -10.5853 -1.1876 -1.1876 -1.1160 -1.1160 -0.3996 -0.3996 -0.2631 -0.2631 -0.2124 -0.2124 0.0086 0.0086 0.0103 0.0103 0.6791 0.6791 0.7762 0.7762 0.8904 0.8904 1.0483 1.0483 1.0792 1.0792 1.4124 1.4124 2.2747 2.2747 2.3217 2.3217 2.3330 2.3330 2.8452 2.8452 2.9088 2.9088 3.2187 3.2187 3.3089 3.3089 3.3382 3.3382 3.4182 3.4182 3.5181 3.5181 3.5627 3.5627 4.6654 4.6654 4.6971 4.6971 4.8014 4.8014 4.8953 4.8953 8.2768 8.2768 k = 0.0167-0.0125-0.0084 ( 8784 PWs) bands (ev): -11.5708 -11.5708 -10.7984 -10.7984 -10.6607 -10.6607 -10.6587 -10.6587 -10.5860 -10.5860 -10.5854 -10.5854 -1.1868 -1.1868 -1.1169 -1.1169 -0.3985 -0.3985 -0.2629 -0.2629 -0.2136 -0.2136 -0.0148 -0.0148 0.0360 0.0360 0.6791 0.6791 0.7758 0.7758 0.8920 0.8920 1.0489 1.0489 1.0800 1.0800 1.4134 1.4134 2.2729 2.2729 2.3127 2.3127 2.3392 2.3392 2.8419 2.8419 2.9072 2.9072 3.2185 3.2185 3.3098 3.3098 3.3391 3.3391 3.4185 3.4185 3.5185 3.5185 3.5627 3.5627 4.6650 4.6650 4.6967 4.6967 4.8014 4.8014 4.8948 4.8948 8.2817 8.2817 k = 0.0333-0.0250-0.0169 ( 8794 PWs) bands (ev): -11.5691 -11.5691 -10.7979 -10.7979 -10.6624 -10.6624 -10.6595 -10.6595 -10.5861 -10.5861 -10.5856 -10.5856 -1.1845 -1.1845 -1.1194 -1.1194 -0.3955 -0.3955 -0.2625 -0.2625 -0.2166 -0.2166 -0.0361 -0.0361 0.0646 0.0646 0.6788 0.6788 0.7746 0.7746 0.8971 0.8971 1.0508 1.0508 1.0829 1.0829 1.4165 1.4165 2.2669 2.2669 2.2980 2.2980 2.3460 2.3460 2.8318 2.8318 2.9028 2.9028 3.2179 3.2179 3.3122 3.3122 3.3417 3.3417 3.4193 3.4193 3.5200 3.5200 3.5629 3.5629 4.6636 4.6636 4.6956 4.6956 4.8011 4.8011 4.8930 4.8930 8.2964 8.2964 k = 0.0500-0.0375-0.0253 ( 8794 PWs) bands (ev): -11.5663 -11.5663 -10.7970 -10.7970 -10.6656 -10.6656 -10.6606 -10.6606 -10.5866 -10.5866 -10.5856 -10.5856 -1.1808 -1.1808 -1.1235 -1.1235 -0.3913 -0.3913 -0.2629 -0.2629 -0.2197 -0.2197 -0.0543 -0.0543 0.0948 0.0948 0.6782 0.6782 0.7727 0.7727 0.9055 0.9055 1.0529 1.0529 1.0885 1.0885 1.4215 1.4215 2.2553 2.2553 2.2825 2.2825 2.3500 2.3500 2.8150 2.8150 2.8964 2.8964 3.2173 3.2173 3.3156 3.3156 3.3459 3.3459 3.4206 3.4206 3.5223 3.5223 3.5635 3.5635 4.6613 4.6613 4.6940 4.6940 4.8006 4.8006 4.8903 4.8903 8.3206 8.3206 k = 0.0667-0.0500-0.0337 ( 8784 PWs) bands (ev): -11.5624 -11.5624 -10.7957 -10.7957 -10.6702 -10.6702 -10.6619 -10.6619 -10.5875 -10.5875 -10.5856 -10.5856 -1.1756 -1.1756 -1.1287 -1.1287 -0.3869 -0.3869 -0.2662 -0.2662 -0.2202 -0.2202 -0.0689 -0.0689 0.1263 0.1263 0.6770 0.6770 0.7699 0.7699 0.9172 0.9172 1.0546 1.0546 1.0977 1.0977 1.4285 1.4285 2.2368 2.2368 2.2679 2.2679 2.3506 2.3506 2.7923 2.7923 2.8884 2.8884 3.2170 3.2170 3.3194 3.3194 3.3511 3.3511 3.4224 3.4224 3.5251 3.5251 3.5646 3.5646 4.6578 4.6578 4.6923 4.6923 4.7996 4.7996 4.8868 4.8868 8.3540 8.3540 k = 0.0833-0.0625-0.0421 ( 8780 PWs) bands (ev): -11.5575 -11.5575 -10.7941 -10.7941 -10.6761 -10.6761 -10.6635 -10.6635 -10.5886 -10.5886 -10.5855 -10.5855 -1.1692 -1.1692 -1.1347 -1.1347 -0.3836 -0.3836 -0.2734 -0.2734 -0.2163 -0.2163 -0.0793 -0.0793 0.1588 0.1588 0.6749 0.6749 0.7663 0.7663 0.9319 0.9319 1.0556 1.0556 1.1107 1.1107 1.4372 1.4372 2.2122 2.2122 2.2535 2.2535 2.3479 2.3479 2.7648 2.7648 2.8791 2.8791 3.2171 3.2171 3.3232 3.3232 3.3569 3.3569 3.4249 3.4249 3.5279 3.5279 3.5668 3.5668 4.6532 4.6532 4.6907 4.6907 4.7978 4.7978 4.8827 4.8827 8.3963 8.3963 k = 0.1000-0.0750-0.0506 ( 8780 PWs) bands (ev): -11.5514 -11.5514 -10.7921 -10.7921 -10.6832 -10.6832 -10.6654 -10.6654 -10.5900 -10.5900 -10.5856 -10.5856 -1.1620 -1.1620 -1.1407 -1.1407 -0.3822 -0.3822 -0.2834 -0.2834 -0.2090 -0.2090 -0.0841 -0.0841 0.1920 0.1920 0.6717 0.6717 0.7620 0.7620 0.9490 0.9490 1.0564 1.0564 1.1274 1.1274 1.4474 1.4474 2.1826 2.1826 2.2378 2.2378 2.3419 2.3419 2.7339 2.7339 2.8687 2.8687 3.2176 3.2176 3.3269 3.3269 3.3626 3.3626 3.4280 3.4280 3.5303 3.5303 3.5704 3.5704 4.6475 4.6475 4.6892 4.6892 4.7953 4.7953 4.8782 4.8782 8.4469 8.4469 k = 0.1167-0.0875-0.0590 ( 8777 PWs) bands (ev): -11.5443 -11.5443 -10.7899 -10.7899 -10.6914 -10.6914 -10.6674 -10.6674 -10.5916 -10.5916 -10.5858 -10.5858 -1.1573 -1.1573 -1.1431 -1.1431 -0.3838 -0.3838 -0.2939 -0.2939 -0.2014 -0.2014 -0.0817 -0.0817 0.2255 0.2255 0.6673 0.6673 0.7570 0.7570 0.9672 0.9672 1.0582 1.0582 1.1474 1.1474 1.4590 1.4590 2.1489 2.1489 2.2200 2.2200 2.3329 2.3329 2.7015 2.7015 2.8571 2.8571 3.2182 3.2182 3.3304 3.3304 3.3679 3.3679 3.4318 3.4318 3.5319 3.5319 3.5756 3.5756 4.6409 4.6409 4.6879 4.6879 4.7920 4.7920 4.8734 4.8734 8.5051 8.5051 k = 0.1333-0.1000-0.0674 ( 8779 PWs) bands (ev): -11.5361 -11.5361 -10.7873 -10.7873 -10.7008 -10.7008 -10.6697 -10.6697 -10.5935 -10.5935 -10.5861 -10.5861 -1.1608 -1.1608 -1.1359 -1.1359 -0.3888 -0.3888 -0.3033 -0.3033 -0.1959 -0.1959 -0.0707 -0.0707 0.2593 0.2593 0.6615 0.6615 0.7514 0.7514 0.9841 0.9841 1.0630 1.0630 1.1707 1.1707 1.4716 1.4716 2.1108 2.1108 2.2000 2.2000 2.3212 2.3212 2.6690 2.6690 2.8444 2.8444 3.2190 3.2190 3.3334 3.3334 3.3725 3.3725 3.4363 3.4363 3.5327 3.5327 3.5824 3.5824 4.6336 4.6336 4.6867 4.6867 4.7881 4.7881 4.8685 4.8685 8.5704 8.5704 k = 0.1500-0.1125-0.0759 ( 8775 PWs) bands (ev): -11.5269 -11.5269 -10.7845 -10.7845 -10.7112 -10.7112 -10.6721 -10.6721 -10.5957 -10.5957 -10.5866 -10.5866 -1.1674 -1.1674 -1.1241 -1.1241 -0.3972 -0.3972 -0.3106 -0.3106 -0.1933 -0.1933 -0.0513 -0.0513 0.2929 0.2929 0.6544 0.6544 0.7453 0.7453 0.9960 0.9960 1.0741 1.0741 1.1968 1.1968 1.4849 1.4849 2.0683 2.0683 2.1778 2.1778 2.3074 2.3074 2.6378 2.6378 2.8306 2.8306 3.2196 3.2196 3.3359 3.3359 3.3764 3.3764 3.4413 3.4413 3.5330 3.5330 3.5904 3.5904 4.6259 4.6259 4.6857 4.6857 4.7837 4.7837 4.8633 4.8633 8.6419 8.6419 k = 0.1667-0.1250-0.0843 ( 8759 PWs) bands (ev): -11.5166 -11.5166 -10.7814 -10.7814 -10.7226 -10.7226 -10.6745 -10.6745 -10.5981 -10.5981 -10.5873 -10.5873 -1.1744 -1.1744 -1.1103 -1.1103 -0.4084 -0.4084 -0.3154 -0.3154 -0.1928 -0.1928 -0.0252 -0.0252 0.3264 0.3264 0.6460 0.6460 0.7387 0.7387 1.0009 1.0009 1.0934 1.0934 1.2256 1.2256 1.4985 1.4985 2.0211 2.0211 2.1538 2.1538 2.2922 2.2922 2.6087 2.6087 2.8158 2.8158 3.2199 3.2199 3.3377 3.3377 3.3798 3.3798 3.4467 3.4467 3.5330 3.5330 3.5994 3.5994 4.6180 4.6180 4.6846 4.6846 4.7793 4.7793 4.8578 4.8578 8.7189 8.7189 k = 0.1833-0.1375-0.0927 ( 8755 PWs) bands (ev): -11.5055 -11.5055 -10.7783 -10.7783 -10.7347 -10.7347 -10.6771 -10.6771 -10.6006 -10.6006 -10.5882 -10.5882 -1.1813 -1.1813 -1.0950 -1.0950 -0.4218 -0.4218 -0.3177 -0.3177 -0.1928 -0.1928 0.0054 0.0054 0.3593 0.3593 0.6363 0.6363 0.7317 0.7317 0.9999 0.9999 1.1190 1.1190 1.2566 1.2566 1.5120 1.5120 1.9694 1.9694 2.1284 2.1284 2.2762 2.2762 2.5822 2.5822 2.7999 2.7999 3.2197 3.2197 3.3386 3.3386 3.3829 3.3829 3.4523 3.4523 3.5329 3.5329 3.6090 3.6090 4.6101 4.6101 4.6836 4.6836 4.7750 4.7750 4.8519 4.8519 8.8005 8.8005 k = 0.2000-0.1500-0.1011 ( 8765 PWs) bands (ev): -11.4933 -11.4933 -10.7756 -10.7756 -10.7471 -10.7471 -10.6797 -10.6797 -10.6034 -10.6034 -10.5893 -10.5893 -1.1879 -1.1879 -1.0782 -1.0782 -0.4364 -0.4364 -0.3180 -0.3180 -0.1923 -0.1923 0.0389 0.0389 0.3915 0.3915 0.6255 0.6255 0.7242 0.7242 0.9953 0.9953 1.1486 1.1486 1.2894 1.2894 1.5248 1.5248 1.9134 1.9134 2.1025 2.1025 2.2602 2.2602 2.5587 2.5587 2.7831 2.7831 3.2187 3.2187 3.3384 3.3384 3.3860 3.3860 3.4579 3.4579 3.5328 3.5328 3.6190 3.6190 4.6023 4.6023 4.6826 4.6826 4.7711 4.7711 4.8455 4.8455 8.8856 8.8856 k = 0.2167-0.1625-0.1096 ( 8762 PWs) bands (ev): -11.4803 -11.4803 -10.7756 -10.7756 -10.7575 -10.7575 -10.6822 -10.6822 -10.6063 -10.6063 -10.5907 -10.5907 -1.1941 -1.1941 -1.0601 -1.0601 -0.4516 -0.4516 -0.3163 -0.3163 -0.1905 -0.1905 0.0739 0.0739 0.4226 0.4226 0.6140 0.6140 0.7164 0.7164 0.9884 0.9884 1.1802 1.1802 1.3233 1.3233 1.5365 1.5365 1.8541 1.8541 2.0768 2.0768 2.2447 2.2447 2.5378 2.5378 2.7655 2.7655 3.2169 3.2169 3.3371 3.3371 3.3892 3.3892 3.4634 3.4634 3.5329 3.5329 3.6291 3.6291 4.5950 4.5950 4.6818 4.6818 4.7676 4.7676 4.8386 4.8386 8.9733 8.9733 k = 0.2333-0.1750-0.1180 ( 8764 PWs) bands (ev): -11.4664 -11.4664 -10.7841 -10.7841 -10.7601 -10.7601 -10.6848 -10.6848 -10.6093 -10.6093 -10.5924 -10.5924 -1.1999 -1.1999 -1.0407 -1.0407 -0.4669 -0.4669 -0.3127 -0.3127 -0.1872 -0.1872 0.1094 0.1094 0.4520 0.4520 0.6022 0.6022 0.7083 0.7083 0.9800 0.9800 1.2130 1.2130 1.3571 1.3571 1.5464 1.5464 1.7931 1.7931 2.0520 2.0520 2.2300 2.2300 2.5193 2.5193 2.7471 2.7471 3.2143 3.2143 3.3347 3.3347 3.3927 3.3927 3.4686 3.4686 3.5332 3.5332 3.6393 3.6393 4.5881 4.5881 4.6811 4.6811 4.7647 4.7647 4.8311 4.8311 9.0621 9.0621 k = 0.2500-0.1875-0.1264 ( 8746 PWs) bands (ev): -11.4517 -11.4517 -10.7984 -10.7984 -10.7574 -10.7574 -10.6872 -10.6872 -10.6123 -10.6123 -10.5944 -10.5944 -1.2054 -1.2054 -1.0202 -1.0202 -0.4821 -0.4821 -0.3073 -0.3073 -0.1819 -0.1819 0.1447 0.1447 0.4783 0.4783 0.5916 0.5916 0.7000 0.7000 0.9706 0.9706 1.2460 1.2460 1.3887 1.3887 1.5543 1.5543 1.7331 1.7331 2.0289 2.0289 2.2166 2.2166 2.5028 2.5028 2.7283 2.7283 3.2108 3.2108 3.3313 3.3313 3.3963 3.3963 3.4737 3.4737 3.5336 3.5336 3.6495 3.6495 4.5818 4.5818 4.6807 4.6807 4.7622 4.7622 4.8233 4.8233 9.1501 9.1501 k = 0.2667-0.2000-0.1348 ( 8744 PWs) bands (ev): -11.4362 -11.4362 -10.8147 -10.8147 -10.7533 -10.7533 -10.6896 -10.6896 -10.6154 -10.6154 -10.5966 -10.5966 -1.2105 -1.2105 -0.9987 -0.9987 -0.4969 -0.4969 -0.3000 -0.3000 -0.1747 -0.1747 0.1789 0.1789 0.4983 0.4983 0.5851 0.5851 0.6918 0.6918 0.9605 0.9605 1.2783 1.2783 1.4134 1.4134 1.5600 1.5600 1.6788 1.6788 2.0080 2.0080 2.2048 2.2048 2.4879 2.4879 2.7091 2.7091 3.2064 3.2064 3.3270 3.3270 3.4000 3.4000 3.4785 3.4785 3.5342 3.5342 3.6594 3.6594 4.5762 4.5762 4.6807 4.6807 4.7599 4.7599 4.8152 4.8152 9.2335 9.2335 k = 0.2833-0.2125-0.1433 ( 8753 PWs) bands (ev): -11.4200 -11.4200 -10.8320 -10.8320 -10.7487 -10.7487 -10.6919 -10.6919 -10.6185 -10.6185 -10.5990 -10.5990 -1.2153 -1.2153 -0.9763 -0.9763 -0.5111 -0.5111 -0.2909 -0.2909 -0.1654 -0.1654 0.2113 0.2113 0.5066 0.5066 0.5878 0.5878 0.6844 0.6844 0.9500 0.9500 1.3082 1.3082 1.4222 1.4222 1.5652 1.5652 1.6391 1.6391 1.9900 1.9900 2.1946 2.1946 2.4741 2.4741 2.6900 2.6900 3.2012 3.2012 3.3220 3.3220 3.4036 3.4036 3.4831 3.4831 3.5348 3.5348 3.6690 3.6690 4.5713 4.5713 4.6810 4.6810 4.7576 4.7576 4.8072 4.8072 9.3024 9.3024 k = 0.3000-0.2250-0.1517 ( 8752 PWs) bands (ev): -11.4031 -11.4031 -10.8501 -10.8501 -10.7438 -10.7438 -10.6940 -10.6940 -10.6216 -10.6216 -10.6018 -10.6018 -1.2198 -1.2198 -0.9533 -0.9533 -0.5246 -0.5246 -0.2800 -0.2800 -0.1540 -0.1540 0.2413 0.2413 0.5019 0.5019 0.6003 0.6003 0.6788 0.6788 0.9395 0.9395 1.3300 1.3300 1.4098 1.4098 1.5695 1.5695 1.6251 1.6251 1.9753 1.9753 2.1863 2.1863 2.4610 2.4610 2.6712 2.6712 3.1953 3.1953 3.3164 3.3164 3.4071 3.4071 3.4875 3.4875 3.5354 3.5354 3.6782 3.6782 4.5673 4.5673 4.6815 4.6815 4.7550 4.7550 4.7997 4.7997 9.3360 9.3360 k = 0.3167-0.2375-0.1601 ( 8736 PWs) bands (ev): -11.3857 -11.3857 -10.8687 -10.8687 -10.7388 -10.7388 -10.6960 -10.6960 -10.6246 -10.6246 -10.6048 -10.6048 -1.2240 -1.2240 -0.9298 -0.9298 -0.5374 -0.5374 -0.2672 -0.2672 -0.1409 -0.1409 0.2681 0.2681 0.4897 0.4897 0.6149 0.6149 0.6777 0.6777 0.9292 0.9292 1.3214 1.3214 1.4011 1.4011 1.5680 1.5680 1.6388 1.6388 1.9641 1.9641 2.1799 2.1799 2.4480 2.4480 2.6533 2.6533 3.1889 3.1889 3.3105 3.3105 3.4104 3.4104 3.4917 3.4917 3.5360 3.5360 3.6870 3.6870 4.5642 4.5642 4.6823 4.6823 4.7516 4.7516 4.7933 4.7933 9.3301 9.3301 k = 0.3333-0.2500-0.1686 ( 8730 PWs) bands (ev): -11.3678 -11.3678 -10.8878 -10.8878 -10.7337 -10.7337 -10.6977 -10.6977 -10.6274 -10.6274 -10.6080 -10.6080 -1.2280 -1.2280 -0.9061 -0.9061 -0.5493 -0.5493 -0.2528 -0.2528 -0.1261 -0.1261 0.2911 0.2911 0.4742 0.4742 0.6242 0.6242 0.6847 0.6847 0.9195 0.9195 1.2754 1.2754 1.4133 1.4133 1.5643 1.5643 1.6669 1.6669 1.9562 1.9562 2.1754 2.1754 2.4347 2.4347 2.6366 2.6366 3.1820 3.1820 3.3042 3.3042 3.4135 3.4135 3.4958 3.4958 3.5365 3.5365 3.6952 3.6952 4.5620 4.5620 4.6829 4.6829 4.7471 4.7471 4.7884 4.7884 9.3060 9.3060 k = 0.3500-0.2625-0.1770 ( 8726 PWs) bands (ev): -11.3495 -11.3495 -10.9072 -10.9072 -10.7286 -10.7286 -10.6993 -10.6993 -10.6301 -10.6301 -10.6114 -10.6114 -1.2317 -1.2317 -0.8827 -0.8827 -0.5603 -0.5603 -0.2367 -0.2367 -0.1102 -0.1102 0.3097 0.3097 0.4577 0.4577 0.6266 0.6266 0.6998 0.6998 0.9105 0.9105 1.2173 1.2173 1.4257 1.4257 1.5640 1.5640 1.6997 1.6997 1.9513 1.9513 2.1727 2.1727 2.4207 2.4207 2.6216 2.6216 3.1749 3.1749 3.2978 3.2978 3.4163 3.4163 3.4998 3.4998 3.5368 3.5368 3.7029 3.7029 4.5607 4.5607 4.6829 4.6829 4.7419 4.7419 4.7851 4.7851 9.2764 9.2764 k = 0.3667-0.2750-0.1854 ( 8736 PWs) bands (ev): -11.3310 -11.3310 -10.9268 -10.9268 -10.7237 -10.7237 -10.7005 -10.7005 -10.6326 -10.6326 -10.6150 -10.6150 -1.2351 -1.2351 -0.8598 -0.8598 -0.5702 -0.5702 -0.2193 -0.2193 -0.0937 -0.0937 0.3233 0.3233 0.4411 0.4411 0.6260 0.6260 0.7183 0.7183 0.9027 0.9027 1.1574 1.1574 1.4294 1.4294 1.5708 1.5708 1.7331 1.7331 1.9490 1.9490 2.1717 2.1717 2.4058 2.4058 2.6085 2.6085 3.1678 3.1678 3.2914 3.2914 3.4188 3.4188 3.5036 3.5036 3.5369 3.5369 3.7099 3.7099 4.5602 4.5602 4.6819 4.6819 4.7367 4.7367 4.7832 4.7832 9.2459 9.2459 k = 0.3833-0.2875-0.1938 ( 8734 PWs) bands (ev): -11.3124 -11.3124 -10.9464 -10.9464 -10.7190 -10.7190 -10.7013 -10.7013 -10.6349 -10.6349 -10.6186 -10.6186 -1.2381 -1.2381 -0.8380 -0.8380 -0.5790 -0.5790 -0.2006 -0.2006 -0.0772 -0.0772 0.3320 0.3320 0.4256 0.4256 0.6250 0.6250 0.7368 0.7368 0.8961 0.8961 1.0999 1.0999 1.4233 1.4233 1.5847 1.5847 1.7654 1.7654 1.9487 1.9487 2.1721 2.1721 2.3899 2.3899 2.5977 2.5977 3.1609 3.1609 3.2852 3.2852 3.4210 3.4210 3.5073 3.5073 3.5368 3.5368 3.7162 3.7162 4.5607 4.5607 4.6792 4.6792 4.7325 4.7325 4.7824 4.7824 9.2164 9.2164 k = 0.4000-0.3000-0.2023 ( 8727 PWs) bands (ev): -11.2940 -11.2940 -10.9657 -10.9657 -10.7150 -10.7150 -10.7015 -10.7015 -10.6369 -10.6369 -10.6224 -10.6224 -1.2409 -1.2409 -0.8177 -0.8177 -0.5866 -0.5866 -0.1810 -0.1810 -0.0619 -0.0619 0.3363 0.3363 0.4117 0.4117 0.6246 0.6246 0.7532 0.7532 0.8902 0.8902 1.0478 1.0478 1.4103 1.4103 1.6028 1.6028 1.7951 1.7951 1.9499 1.9499 2.1738 2.1738 2.3733 2.3733 2.5889 2.5889 3.1544 3.1544 3.2793 3.2793 3.4229 3.4229 3.5108 3.5108 3.5363 3.5363 3.7218 3.7218 4.5619 4.5619 4.6746 4.6746 4.7298 4.7298 4.7821 4.7821 9.1891 9.1891 k = 0.4167-0.3125-0.2107 ( 8727 PWs) bands (ev): -11.2761 -11.2761 -10.9843 -10.9843 -10.7121 -10.7121 -10.7006 -10.7006 -10.6387 -10.6387 -10.6261 -10.6261 -1.2433 -1.2433 -0.7994 -0.7994 -0.5931 -0.5931 -0.1608 -0.1608 -0.0489 -0.0489 0.3375 0.3375 0.3997 0.3997 0.6244 0.6244 0.7664 0.7664 0.8835 0.8835 1.0049 1.0049 1.3940 1.3940 1.6220 1.6220 1.8215 1.8215 1.9521 1.9521 2.1765 2.1765 2.3566 2.3566 2.5822 2.5822 3.1485 3.1485 3.2739 3.2739 3.4245 3.4245 3.5142 3.5142 3.5357 3.5357 3.7266 3.7266 4.5639 4.5639 4.6685 4.6685 4.7287 4.7287 4.7822 4.7822 9.1649 9.1649 k = 0.4333-0.3250-0.2191 ( 8729 PWs) bands (ev): -11.2592 -11.2592 -11.0018 -11.0018 -10.7106 -10.7106 -10.6985 -10.6985 -10.6400 -10.6400 -10.6296 -10.6296 -1.2453 -1.2453 -0.7837 -0.7837 -0.5984 -0.5984 -0.1405 -0.1405 -0.0393 -0.0393 0.3377 0.3377 0.3893 0.3893 0.6238 0.6238 0.7764 0.7764 0.8725 0.8725 0.9757 0.9757 1.3771 1.3771 1.6400 1.6400 1.8438 1.8438 1.9548 1.9548 2.1799 2.1799 2.3405 2.3405 2.5772 2.5772 3.1434 3.1434 3.2692 3.2692 3.4258 3.4258 3.5173 3.5173 3.5347 3.5347 3.7305 3.7305 4.5664 4.5664 4.6616 4.6616 4.7287 4.7287 4.7825 4.7825 9.1444 9.1444 k = 0.4500-0.3375-0.2276 ( 8735 PWs) bands (ev): -11.2441 -11.2441 -11.0175 -11.0175 -10.7101 -10.7101 -10.6959 -10.6959 -10.6410 -10.6410 -10.6328 -10.6328 -1.2468 -1.2468 -0.7709 -0.7709 -0.6025 -0.6025 -0.1209 -0.1209 -0.0341 -0.0341 0.3386 0.3386 0.3802 0.3802 0.6224 0.6224 0.7839 0.7839 0.8557 0.8557 0.9617 0.9617 1.3615 1.3615 1.6555 1.6555 1.8615 1.8615 1.9577 1.9577 2.1837 2.1837 2.3258 2.3258 2.5736 2.5736 3.1392 3.1392 3.2653 3.2653 3.4268 3.4268 3.5203 3.5203 3.5334 3.5334 3.7336 3.7336 4.5691 4.5691 4.6549 4.6549 4.7292 4.7292 4.7827 4.7827 9.1280 9.1280 k = 0.4667-0.3500-0.2360 ( 8747 PWs) bands (ev): -11.2317 -11.2317 -11.0302 -11.0302 -10.7100 -10.7100 -10.6935 -10.6935 -10.6416 -10.6416 -10.6356 -10.6356 -1.2480 -1.2480 -0.7615 -0.7615 -0.6053 -0.6053 -0.1030 -0.1030 -0.0334 -0.0334 0.3413 0.3413 0.3719 0.3719 0.6201 0.6201 0.7904 0.7904 0.8369 0.8369 0.9581 0.9581 1.3489 1.3489 1.6672 1.6672 1.8742 1.8742 1.9602 1.9602 2.1874 2.1874 2.3139 2.3139 2.5713 2.5713 3.1361 3.1361 3.2624 3.2624 3.4275 3.4275 3.5231 3.5231 3.5319 3.5319 3.7359 3.7359 4.5716 4.5716 4.6492 4.6492 4.7298 4.7298 4.7830 4.7830 9.1160 9.1160 k = 0.4833-0.3625-0.2444 ( 8739 PWs) bands (ev): -11.2234 -11.2234 -11.0388 -11.0388 -10.7100 -10.7100 -10.6918 -10.6918 -10.6418 -10.6418 -10.6375 -10.6375 -1.2487 -1.2487 -0.7558 -0.7558 -0.6070 -0.6070 -0.0892 -0.0892 -0.0359 -0.0359 0.3457 0.3457 0.3645 0.3645 0.6179 0.6179 0.7976 0.7976 0.8204 0.8204 0.9583 0.9583 1.3407 1.3407 1.6746 1.6746 1.8818 1.8818 1.9620 1.9620 2.1901 2.1901 2.3060 2.3060 2.5699 2.5699 3.1343 3.1343 3.2606 3.2606 3.4279 3.4279 3.5256 3.5256 3.5302 3.5302 3.7372 3.7372 4.5735 4.5735 4.6453 4.6453 4.7303 4.7303 4.7832 4.7832 9.1087 9.1087 k = 0.5000-0.3750-0.2528 ( 8714 PWs) bands (ev): -11.2204 -11.2204 -11.0418 -11.0418 -10.7100 -10.7100 -10.6912 -10.6912 -10.6418 -10.6418 -10.6383 -10.6383 -1.2489 -1.2489 -0.7538 -0.7538 -0.6076 -0.6076 -0.0835 -0.0835 -0.0378 -0.0378 0.3489 0.3489 0.3605 0.3605 0.6169 0.6169 0.8052 0.8052 0.8095 0.8095 0.9588 0.9588 1.3378 1.3378 1.6771 1.6771 1.8844 1.8844 1.9627 1.9627 2.1911 2.1911 2.3032 2.3032 2.5695 2.5695 3.1336 3.1336 3.2600 3.2600 3.4281 3.4281 3.5273 3.5273 3.5287 3.5287 3.7377 3.7377 4.5743 4.5743 4.6439 4.6439 4.7305 4.7305 4.7833 4.7833 9.1063 9.1063 k = 0.5000-0.3750-0.2528 ( 8714 PWs) bands (ev): -11.2204 -11.2204 -11.0418 -11.0418 -10.7100 -10.7100 -10.6912 -10.6912 -10.6418 -10.6418 -10.6383 -10.6383 -1.2489 -1.2489 -0.7538 -0.7538 -0.6076 -0.6076 -0.0835 -0.0835 -0.0378 -0.0378 0.3489 0.3489 0.3605 0.3605 0.6169 0.6169 0.8052 0.8052 0.8095 0.8095 0.9588 0.9588 1.3378 1.3378 1.6771 1.6771 1.8844 1.8844 1.9627 1.9627 2.1911 2.1911 2.3032 2.3032 2.5695 2.5695 3.1336 3.1336 3.2600 3.2600 3.4281 3.4281 3.5273 3.5273 3.5287 3.5287 3.7377 3.7377 4.5743 4.5743 4.6439 4.6439 4.7305 4.7305 4.7833 4.7833 9.1063 9.1063 k = 0.5000-0.3627-0.2712 ( 8732 PWs) bands (ev): -11.2200 -11.2200 -11.0417 -11.0417 -10.7108 -10.7108 -10.6909 -10.6909 -10.6437 -10.6437 -10.6366 -10.6366 -1.2473 -1.2473 -0.7540 -0.7540 -0.6067 -0.6067 -0.0860 -0.0860 -0.0369 -0.0369 0.3474 0.3474 0.3606 0.3606 0.6160 0.6160 0.7879 0.7879 0.8240 0.8240 0.9626 0.9626 1.3414 1.3414 1.6764 1.6764 1.8823 1.8823 1.9638 1.9638 2.1906 2.1906 2.3030 2.3030 2.5668 2.5668 3.1351 3.1351 3.2607 3.2607 3.4278 3.4278 3.5250 3.5250 3.5313 3.5313 3.7371 3.7371 4.5737 4.5737 4.6448 4.6448 4.7307 4.7307 4.7836 4.7836 9.1073 9.1073 k = 0.5000-0.3503-0.2895 ( 8738 PWs) bands (ev): -11.2186 -11.2186 -11.0413 -11.0413 -10.7131 -10.7131 -10.6902 -10.6902 -10.6468 -10.6468 -10.6339 -10.6339 -1.2426 -1.2426 -0.7544 -0.7544 -0.6040 -0.6040 -0.0928 -0.0928 -0.0347 -0.0347 0.3435 0.3435 0.3603 0.3603 0.6133 0.6133 0.7685 0.7685 0.8345 0.8345 0.9748 0.9748 1.3517 1.3517 1.6744 1.6744 1.8766 1.8766 1.9667 1.9667 2.1892 2.1892 2.3023 2.3023 2.5591 2.5591 3.1395 3.1395 3.2629 3.2629 3.4272 3.4272 3.5224 3.5224 3.5346 3.5346 3.7352 3.7352 4.5720 4.5720 4.6474 4.6474 4.7314 4.7314 4.7848 4.7848 9.1102 9.1102 k = 0.5000-0.3380-0.3078 ( 8744 PWs) bands (ev): -11.2164 -11.2164 -11.0407 -11.0407 -10.7167 -10.7167 -10.6892 -10.6892 -10.6502 -10.6502 -10.6313 -10.6313 -1.2347 -1.2347 -0.7552 -0.7552 -0.5995 -0.5995 -0.1029 -0.1029 -0.0322 -0.0322 0.3379 0.3379 0.3591 0.3591 0.6088 0.6088 0.7505 0.7505 0.8383 0.8383 0.9954 0.9954 1.3677 1.3677 1.6712 1.6712 1.8682 1.8682 1.9705 1.9705 2.1869 2.1869 2.3011 2.3011 2.5466 2.5466 3.1464 3.1464 3.2664 3.2664 3.4261 3.4261 3.5201 3.5201 3.5382 3.5382 3.7322 3.7322 4.5695 4.5695 4.6512 4.6512 4.7328 4.7328 4.7867 4.7867 9.1149 9.1149 k = 0.5000-0.3256-0.3261 ( 8738 PWs) bands (ev): -11.2132 -11.2132 -11.0400 -11.0400 -10.7215 -10.7215 -10.6879 -10.6879 -10.6538 -10.6538 -10.6289 -10.6289 -1.2239 -1.2239 -0.7563 -0.7563 -0.5933 -0.5933 -0.1156 -0.1156 -0.0301 -0.0301 0.3310 0.3310 0.3567 0.3567 0.6025 0.6025 0.7347 0.7347 0.8370 0.8370 1.0229 1.0229 1.3879 1.3879 1.6672 1.6672 1.8580 1.8580 1.9745 1.9745 2.1835 2.1835 2.2992 2.2992 2.5303 2.5303 3.1555 3.1555 3.2712 3.2712 3.4246 3.4246 3.5182 3.5182 3.5420 3.5420 3.7279 3.7279 4.5666 4.5666 4.6553 4.6553 4.7350 4.7350 4.7894 4.7894 9.1215 9.1215 k = 0.5000-0.3133-0.3444 ( 8740 PWs) bands (ev): -11.2092 -11.2092 -11.0390 -11.0390 -10.7273 -10.7273 -10.6866 -10.6866 -10.6576 -10.6576 -10.6265 -10.6265 -1.2101 -1.2101 -0.7579 -0.7579 -0.5853 -0.5853 -0.1303 -0.1303 -0.0288 -0.0288 0.3229 0.3229 0.3535 0.3535 0.5947 0.5947 0.7208 0.7208 0.8338 0.8338 1.0547 1.0547 1.4104 1.4104 1.6627 1.6627 1.8469 1.8469 1.9780 1.9780 2.1790 2.1790 2.2966 2.2966 2.5109 2.5109 3.1662 3.1662 3.2770 3.2770 3.4226 3.4226 3.5168 3.5168 3.5459 3.5459 3.7224 3.7224 4.5636 4.5636 4.6592 4.6592 4.7381 4.7381 4.7930 4.7930 9.1297 9.1297 k = 0.5000-0.3009-0.3628 ( 8744 PWs) bands (ev): -11.2043 -11.2043 -11.0380 -11.0380 -10.7340 -10.7340 -10.6852 -10.6852 -10.6615 -10.6615 -10.6244 -10.6244 -1.1935 -1.1935 -0.7601 -0.7601 -0.5757 -0.5757 -0.1466 -0.1466 -0.0284 -0.0284 0.3136 0.3136 0.3500 0.3500 0.5854 0.5854 0.7087 0.7087 0.8310 0.8310 1.0889 1.0889 1.4335 1.4335 1.6584 1.6584 1.8355 1.8355 1.9807 1.9807 2.1731 2.1731 2.2932 2.2932 2.4896 2.4896 3.1780 3.1780 3.2837 3.2837 3.4200 3.4200 3.5159 3.5159 3.5501 3.5501 3.7157 3.7157 4.5606 4.5606 4.6623 4.6623 4.7422 4.7422 4.7973 4.7973 9.1394 9.1394 k = 0.5000-0.2886-0.3811 ( 8750 PWs) bands (ev): -11.1985 -11.1985 -11.0369 -11.0369 -10.7416 -10.7416 -10.6840 -10.6840 -10.6653 -10.6653 -10.6223 -10.6223 -1.1743 -1.1743 -0.7629 -0.7629 -0.5644 -0.5644 -0.1641 -0.1641 -0.0291 -0.0291 0.3032 0.3032 0.3467 0.3467 0.5747 0.5747 0.6982 0.6982 0.8301 0.8301 1.1242 1.1242 1.4550 1.4550 1.6554 1.6554 1.8244 1.8244 1.9823 1.9823 2.1657 2.1657 2.2886 2.2886 2.4675 2.4675 3.1905 3.1905 3.2909 3.2909 3.4170 3.4170 3.5157 3.5157 3.5544 3.5544 3.7079 3.7079 4.5577 4.5577 4.6643 4.6643 4.7471 4.7471 4.8026 4.8026 9.1505 9.1505 k = 0.5000-0.2762-0.3994 ( 8728 PWs) bands (ev): -11.1919 -11.1919 -11.0357 -11.0357 -10.7498 -10.7498 -10.6836 -10.6836 -10.6686 -10.6686 -10.6203 -10.6203 -1.1527 -1.1527 -0.7664 -0.7664 -0.5516 -0.5516 -0.1825 -0.1825 -0.0310 -0.0310 0.2919 0.2919 0.3443 0.3443 0.5624 0.5624 0.6897 0.6897 0.8314 0.8314 1.1596 1.1596 1.4726 1.4726 1.6547 1.6547 1.8144 1.8144 1.9826 1.9826 2.1565 2.1565 2.2828 2.2828 2.4456 2.4456 3.2033 3.2033 3.2985 3.2985 3.4136 3.4136 3.5162 3.5162 3.5589 3.5589 3.6991 3.6991 4.5550 4.5550 4.6652 4.6652 4.7525 4.7525 4.8088 4.8088 9.1628 9.1628 k = 0.5000-0.2639-0.4177 ( 8728 PWs) bands (ev): -11.1845 -11.1845 -11.0347 -11.0347 -10.7585 -10.7585 -10.6850 -10.6850 -10.6703 -10.6703 -10.6183 -10.6183 -1.1291 -1.1291 -0.7708 -0.7708 -0.5374 -0.5374 -0.2014 -0.2014 -0.0339 -0.0339 0.2801 0.2801 0.3432 0.3432 0.5485 0.5485 0.6834 0.6834 0.8351 0.8351 1.1941 1.1941 1.4843 1.4843 1.6572 1.6572 1.8064 1.8064 1.9815 1.9815 2.1453 2.1453 2.2757 2.2757 2.4250 2.4250 3.2161 3.2161 3.3059 3.3059 3.4099 3.4099 3.5172 3.5172 3.5634 3.5634 3.6895 3.6895 4.5525 4.5525 4.6650 4.6650 4.7578 4.7578 4.8158 4.8158 9.1761 9.1761 k = 0.5000-0.2515-0.4361 ( 8732 PWs) bands (ev): -11.1763 -11.1763 -11.0339 -11.0339 -10.7676 -10.7676 -10.6887 -10.6887 -10.6699 -10.6699 -10.6164 -10.6164 -1.1037 -1.1037 -0.7761 -0.7761 -0.5217 -0.5217 -0.2203 -0.2203 -0.0380 -0.0380 0.2681 0.2681 0.3438 0.3438 0.5332 0.5332 0.6793 0.6793 0.8408 0.8408 1.2270 1.2270 1.4894 1.4894 1.6621 1.6621 1.8017 1.8017 1.9788 1.9788 2.1322 2.1322 2.2674 2.2674 2.4065 2.4065 3.2286 3.2286 3.3130 3.3130 3.4063 3.4063 3.5187 3.5187 3.5679 3.5679 3.6795 3.6795 4.5503 4.5503 4.6639 4.6639 4.7627 4.7627 4.8234 4.8234 9.1901 9.1901 k = 0.5000-0.2392-0.4544 ( 8728 PWs) bands (ev): -11.1673 -11.1673 -11.0335 -11.0335 -10.7768 -10.7768 -10.6942 -10.6942 -10.6682 -10.6682 -10.6145 -10.6145 -1.0769 -1.0769 -0.7824 -0.7824 -0.5048 -0.5048 -0.2388 -0.2388 -0.0433 -0.0433 0.2563 0.2563 0.3462 0.3462 0.5170 0.5170 0.6773 0.6773 0.8481 0.8481 1.2573 1.2573 1.4888 1.4888 1.6671 1.6671 1.8018 1.8018 1.9741 1.9741 2.1176 2.1176 2.2579 2.2579 2.3907 2.3907 3.2406 3.2406 3.3193 3.3193 3.4029 3.4029 3.5203 3.5203 3.5721 3.5721 3.6694 3.6694 4.5483 4.5483 4.6621 4.6621 4.7670 4.7670 4.8313 4.8313 9.2046 9.2046 k = 0.5000-0.2268-0.4727 ( 8736 PWs) bands (ev): -11.1575 -11.1575 -11.0336 -11.0336 -10.7859 -10.7859 -10.7007 -10.7007 -10.6657 -10.6657 -10.6127 -10.6127 -1.0494 -1.0494 -0.7895 -0.7895 -0.4869 -0.4869 -0.2563 -0.2563 -0.0495 -0.0495 0.2450 0.2450 0.3503 0.3503 0.5006 0.5006 0.6768 0.6768 0.8567 0.8567 1.2840 1.2840 1.4844 1.4844 1.6692 1.6692 1.8078 1.8078 1.9671 1.9671 2.1024 2.1024 2.2476 2.2476 2.3774 2.3774 3.2517 3.2517 3.3246 3.3246 3.4001 3.4001 3.5218 3.5218 3.5758 3.5758 3.6600 3.6600 4.5466 4.5466 4.6596 4.6596 4.7706 4.7706 4.8389 4.8389 9.2195 9.2195 k = 0.5000-0.2145-0.4910 ( 8728 PWs) bands (ev): -11.1470 -11.1470 -11.0343 -11.0343 -10.7947 -10.7947 -10.7079 -10.7079 -10.6628 -10.6628 -10.6107 -10.6107 -1.0216 -1.0216 -0.7973 -0.7973 -0.4681 -0.4681 -0.2723 -0.2723 -0.0566 -0.0566 0.2345 0.2345 0.3558 0.3558 0.4851 0.4851 0.6776 0.6776 0.8663 0.8663 1.3054 1.3054 1.4788 1.4788 1.6669 1.6669 1.8189 1.8189 1.9578 1.9578 2.0879 2.0879 2.2367 2.2367 2.3664 2.3664 3.2618 3.2618 3.3288 3.3288 3.3985 3.3985 3.5225 3.5225 3.5788 3.5788 3.6522 3.6522 4.5451 4.5451 4.6566 4.6566 4.7736 4.7736 4.8459 4.8459 9.2345 9.2345 k = 0.5000-0.2021-0.5093 ( 8714 PWs) bands (ev): -11.1359 -11.1359 -11.0359 -11.0359 -10.8029 -10.8029 -10.7158 -10.7158 -10.6596 -10.6596 -10.6088 -10.6088 -0.9947 -0.9947 -0.8053 -0.8053 -0.4488 -0.4488 -0.2861 -0.2861 -0.0644 -0.0644 0.2250 0.2250 0.3620 0.3620 0.4717 0.4717 0.6790 0.6790 0.8766 0.8766 1.3197 1.3197 1.4741 1.4741 1.6607 1.6607 1.8328 1.8328 1.9464 1.9464 2.0756 2.0756 2.2255 2.2255 2.3573 2.3573 3.2704 3.2704 3.3317 3.3317 3.3981 3.3981 3.5217 3.5217 3.5810 3.5810 3.6469 3.6469 4.5439 4.5439 4.6530 4.6530 4.7759 4.7759 4.8519 4.8519 9.2495 9.2495 k = 0.5000-0.1898-0.5277 ( 8742 PWs) bands (ev): -11.1241 -11.1241 -11.0387 -11.0387 -10.8103 -10.8103 -10.7242 -10.7242 -10.6561 -10.6561 -10.6069 -10.6069 -0.9700 -0.9700 -0.8125 -0.8125 -0.4297 -0.4297 -0.2969 -0.2969 -0.0729 -0.0729 0.2166 0.2166 0.3673 0.3673 0.4624 0.4624 0.6807 0.6807 0.8875 0.8875 1.3254 1.3254 1.4720 1.4720 1.6515 1.6515 1.8463 1.8463 1.9345 1.9345 2.0664 2.0664 2.2142 2.2142 2.3494 2.3494 3.2770 3.2770 3.3338 3.3338 3.3988 3.3988 3.5187 3.5187 3.5829 3.5829 3.6445 3.6445 4.5427 4.5427 4.6489 4.6489 4.7776 4.7776 4.8565 4.8565 9.2642 9.2642 k = 0.5000-0.1774-0.5460 ( 8736 PWs) bands (ev): -11.1116 -11.1116 -11.0426 -11.0426 -10.8166 -10.8166 -10.7332 -10.7332 -10.6525 -10.6525 -10.6049 -10.6049 -0.9498 -0.9498 -0.8169 -0.8169 -0.4119 -0.4119 -0.3035 -0.3035 -0.0817 -0.0817 0.2093 0.2093 0.3691 0.3691 0.4601 0.4601 0.6824 0.6824 0.8991 0.8991 1.3223 1.3223 1.4718 1.4718 1.6406 1.6406 1.8560 1.8560 1.9251 1.9251 2.0603 2.0603 2.2030 2.2030 2.3423 2.3423 3.2812 3.2812 3.3359 3.3359 3.4003 3.4003 3.5134 3.5134 3.5850 3.5850 3.6449 3.6449 4.5418 4.5418 4.6444 4.6444 4.7787 4.7787 4.8596 4.8596 9.2786 9.2786 k = 0.5000-0.1651-0.5643 ( 8736 PWs) bands (ev): -11.0986 -11.0986 -11.0480 -11.0480 -10.8216 -10.8216 -10.7425 -10.7425 -10.6487 -10.6487 -10.6029 -10.6029 -0.9373 -0.9373 -0.8158 -0.8158 -0.3972 -0.3972 -0.3038 -0.3038 -0.0907 -0.0907 0.2030 0.2030 0.3658 0.3658 0.4665 0.4665 0.6838 0.6838 0.9111 0.9111 1.3119 1.3119 1.4711 1.4711 1.6291 1.6291 1.8588 1.8588 1.9213 1.9213 2.0571 2.0571 2.1924 2.1924 2.3357 2.3357 3.2829 3.2829 3.3385 3.3385 3.4019 3.4019 3.5065 3.5065 3.5879 3.5879 3.6473 3.6473 4.5409 4.5409 4.6394 4.6394 4.7793 4.7793 4.8609 4.8609 9.2924 9.2924 k = 0.5000-0.1527-0.5826 ( 8748 PWs) bands (ev): -11.0852 -11.0852 -11.0548 -11.0548 -10.8252 -10.8252 -10.7523 -10.7523 -10.6448 -10.6448 -10.6009 -10.6009 -0.9346 -0.9346 -0.8073 -0.8073 -0.3873 -0.3873 -0.2962 -0.2962 -0.0997 -0.0997 0.1978 0.1978 0.3583 0.3583 0.4809 0.4809 0.6847 0.6847 0.9238 0.9238 1.2961 1.2961 1.4664 1.4664 1.6185 1.6185 1.8556 1.8556 1.9229 1.9229 2.0558 2.0558 2.1831 2.1831 2.3292 2.3292 3.2824 3.2824 3.3415 3.3415 3.4029 3.4029 3.4994 3.4994 3.5917 3.5917 3.6510 3.6510 4.5400 4.5400 4.6339 4.6339 4.7794 4.7794 4.8604 4.8604 9.3051 9.3051 k = 0.5000-0.1403-0.6009 ( 8752 PWs) bands (ev): -11.0721 -11.0721 -11.0623 -11.0623 -10.8274 -10.8274 -10.7625 -10.7625 -10.6408 -10.6408 -10.5988 -10.5988 -0.9405 -0.9405 -0.7927 -0.7927 -0.3822 -0.3822 -0.2810 -0.2810 -0.1084 -0.1084 0.1935 0.1935 0.3487 0.3487 0.5012 0.5012 0.6850 0.6850 0.9372 0.9372 1.2762 1.2762 1.4558 1.4558 1.6096 1.6096 1.8504 1.8504 1.9264 1.9264 2.0552 2.0552 2.1760 2.1760 2.3225 2.3225 3.2802 3.2802 3.3446 3.3446 3.4027 3.4027 3.4935 3.4935 3.5960 3.5960 3.6555 3.6555 4.5391 4.5391 4.6279 4.6279 4.7790 4.7790 4.8583 4.8583 9.3167 9.3167 k = 0.5000-0.1280-0.6193 ( 8756 PWs) bands (ev): -11.0743 -11.0743 -11.0555 -11.0555 -10.8280 -10.8280 -10.7729 -10.7729 -10.6367 -10.6367 -10.5968 -10.5968 -0.9522 -0.9522 -0.7750 -0.7750 -0.3798 -0.3798 -0.2604 -0.2604 -0.1164 -0.1164 0.1897 0.1897 0.3387 0.3387 0.5256 0.5256 0.6847 0.6847 0.9515 0.9515 1.2530 1.2530 1.4390 1.4390 1.6023 1.6023 1.8456 1.8456 1.9294 1.9294 2.0543 2.0543 2.1718 2.1718 2.3154 2.3154 3.2771 3.2771 3.3470 3.3470 3.4012 3.4012 3.4898 3.4898 3.6006 3.6006 3.6603 3.6603 4.5381 4.5381 4.6216 4.6216 4.7780 4.7780 4.8546 4.8546 9.3266 9.3266 k = 0.5000-0.1156-0.6376 ( 8762 PWs) bands (ev): -11.0853 -11.0853 -11.0409 -11.0409 -10.8274 -10.8274 -10.7836 -10.7836 -10.6325 -10.6325 -10.5948 -10.5948 -0.9672 -0.9672 -0.7566 -0.7566 -0.3782 -0.3782 -0.2371 -0.2371 -0.1233 -0.1233 0.1863 0.1863 0.3292 0.3292 0.5527 0.5527 0.6841 0.6841 0.9669 0.9669 1.2266 1.2266 1.4177 1.4177 1.5955 1.5955 1.8414 1.8414 1.9312 1.9312 2.0527 2.0527 2.1709 2.1709 2.3078 2.3078 3.2736 3.2736 3.3477 3.3477 3.3990 3.3990 3.4887 3.4887 3.6053 3.6053 3.6651 3.6651 4.5369 4.5369 4.6151 4.6151 4.7763 4.7763 4.8497 4.8497 9.3349 9.3349 k = 0.5000-0.1033-0.6559 ( 8768 PWs) bands (ev): -11.0976 -11.0976 -11.0256 -11.0256 -10.8254 -10.8254 -10.7945 -10.7945 -10.6283 -10.6283 -10.5927 -10.5927 -0.9841 -0.9841 -0.7387 -0.7387 -0.3763 -0.3763 -0.2136 -0.2136 -0.1276 -0.1276 0.1829 0.1829 0.3207 0.3207 0.5807 0.5807 0.6839 0.6839 0.9836 0.9836 1.1971 1.1971 1.3943 1.3943 1.5882 1.5882 1.8364 1.8364 1.9323 1.9323 2.0510 2.0510 2.1727 2.1727 2.2996 2.2996 3.2700 3.2700 3.3464 3.3464 3.3974 3.3974 3.4898 3.4898 3.6098 3.6098 3.6699 3.6699 4.5354 4.5354 4.6085 4.6085 4.7738 4.7738 4.8439 4.8439 9.3418 9.3418 k = 0.5000-0.0909-0.6742 ( 8770 PWs) bands (ev): -11.1110 -11.1110 -11.0100 -11.0100 -10.8225 -10.8225 -10.8054 -10.8054 -10.6241 -10.6241 -10.5907 -10.5907 -1.0020 -1.0020 -0.7221 -0.7221 -0.3737 -0.3737 -0.1938 -0.1938 -0.1264 -0.1264 0.1791 0.1791 0.3137 0.3137 0.6067 0.6067 0.6864 0.6864 1.0020 1.0020 1.1646 1.1646 1.3710 1.3710 1.5793 1.5793 1.8284 1.8284 1.9338 1.9338 2.0501 2.0501 2.1764 2.1764 2.2910 2.2910 3.2667 3.2667 3.3431 3.3431 3.3971 3.3971 3.4926 3.4926 3.6141 3.6141 3.6743 3.6743 4.5336 4.5336 4.6020 4.6020 4.7703 4.7703 4.8377 4.8377 9.3475 9.3475 k = 0.7727 0.0454-0.3371 ( 8770 PWs) bands (ev): -11.1109 -11.1109 -11.0103 -11.0103 -10.8223 -10.8223 -10.8054 -10.8054 -10.6244 -10.6244 -10.5905 -10.5905 -1.0020 -1.0020 -0.7221 -0.7221 -0.3737 -0.3737 -0.1938 -0.1938 -0.1264 -0.1264 0.1791 0.1791 0.3137 0.3137 0.6067 0.6067 0.6864 0.6864 1.0020 1.0020 1.1646 1.1646 1.3711 1.3711 1.5793 1.5793 1.8285 1.8285 1.9338 1.9338 2.0502 2.0502 2.1764 2.1764 2.2909 2.2909 3.2667 3.2667 3.3431 3.3431 3.3971 3.3971 3.4926 3.4926 3.6141 3.6141 3.6743 3.6743 4.5336 4.5336 4.6020 4.6020 4.7703 4.7703 4.8377 4.8377 9.3475 9.3475 k = 0.7626 0.0530-0.3184 ( 8776 PWs) bands (ev): -11.1254 -11.1254 -10.9940 -10.9940 -10.8195 -10.8195 -10.8156 -10.8156 -10.6201 -10.6201 -10.5885 -10.5885 -1.0206 -1.0206 -0.7065 -0.7065 -0.3702 -0.3702 -0.1824 -0.1824 -0.1147 -0.1147 0.1747 0.1747 0.3081 0.3081 0.6253 0.6253 0.6967 0.6967 1.0221 1.0221 1.1292 1.1292 1.3490 1.3490 1.5682 1.5682 1.8152 1.8152 1.9371 1.9371 2.0505 2.0505 2.1812 2.1812 2.2818 2.2818 3.2636 3.2636 3.3383 3.3383 3.3981 3.3981 3.4964 3.4964 3.6181 3.6181 3.6785 3.6785 4.5313 4.5313 4.5958 4.5958 4.7654 4.7654 4.8316 4.8316 9.3526 9.3526 k = 0.7525 0.0606-0.2997 ( 8758 PWs) bands (ev): -11.1406 -11.1406 -10.9775 -10.9775 -10.8288 -10.8288 -10.8128 -10.8128 -10.6158 -10.6158 -10.5865 -10.5865 -1.0393 -1.0393 -0.6922 -0.6922 -0.3659 -0.3659 -0.1803 -0.1803 -0.0927 -0.0927 0.1697 0.1697 0.3043 0.3043 0.6316 0.6316 0.7178 0.7178 1.0393 1.0393 1.0969 1.0969 1.3297 1.3297 1.5548 1.5548 1.7958 1.7958 1.9428 1.9428 2.0522 2.0522 2.1863 2.1863 2.2729 2.2729 3.2611 3.2611 3.3334 3.3334 3.3999 3.3999 3.5008 3.5008 3.6216 3.6216 3.6824 3.6824 4.5285 4.5285 4.5902 4.5902 4.7588 4.7588 4.8262 4.8262 9.3570 9.3570 k = 0.7424 0.0681-0.2810 ( 8756 PWs) bands (ev): -11.1562 -11.1562 -10.9609 -10.9609 -10.8402 -10.8402 -10.8072 -10.8072 -10.6116 -10.6116 -10.5846 -10.5846 -1.0576 -1.0576 -0.6791 -0.6791 -0.3609 -0.3609 -0.1824 -0.1824 -0.0660 -0.0660 0.1641 0.1641 0.3019 0.3019 0.6293 0.6293 0.7449 0.7449 1.0284 1.0284 1.0944 1.0944 1.3139 1.3139 1.5390 1.5390 1.7711 1.7711 1.9505 1.9505 2.0545 2.0545 2.1910 2.1910 2.2649 2.2649 3.2590 3.2590 3.3290 3.3290 3.4020 3.4020 3.5052 3.5052 3.6245 3.6245 3.6857 3.6857 4.5253 4.5253 4.5854 4.5854 4.7504 4.7504 4.8220 4.8220 9.3608 9.3608 k = 0.7323 0.0757-0.2622 ( 8758 PWs) bands (ev): -11.1721 -11.1721 -10.9441 -10.9441 -10.8516 -10.8516 -10.8011 -10.8011 -10.6074 -10.6074 -10.5828 -10.5828 -1.0754 -1.0754 -0.6669 -0.6669 -0.3554 -0.3554 -0.1857 -0.1857 -0.0381 -0.0381 0.1585 0.1585 0.3005 0.3005 0.6229 0.6229 0.7722 0.7722 0.9917 0.9917 1.1204 1.1204 1.3020 1.3020 1.5208 1.5208 1.7420 1.7420 1.9591 1.9591 2.0569 2.0569 2.1944 2.1944 2.2593 2.2593 3.2574 3.2574 3.3258 3.3258 3.4042 3.4042 3.5094 3.5094 3.6267 3.6267 3.6885 3.6885 4.5217 4.5217 4.5816 4.5816 4.7404 4.7404 4.8192 4.8192 9.3639 9.3639 k = 0.7222 0.0833-0.2435 ( 8752 PWs) bands (ev): -11.1881 -11.1881 -10.9273 -10.9273 -10.8629 -10.8629 -10.7944 -10.7944 -10.6034 -10.6034 -10.5810 -10.5810 -1.0924 -1.0924 -0.6553 -0.6553 -0.3493 -0.3493 -0.1892 -0.1892 -0.0112 -0.0112 0.1536 0.1536 0.2997 0.2997 0.6144 0.6144 0.7957 0.7957 0.9522 0.9522 1.1526 1.1526 1.2956 1.2956 1.5004 1.5004 1.7099 1.7099 1.9677 1.9677 2.0586 2.0586 2.1951 2.1951 2.2582 2.2582 3.2562 3.2562 3.3241 3.3241 3.4061 3.4061 3.5133 3.5133 3.6283 3.6283 3.6907 3.6907 4.5182 4.5182 4.5787 4.5787 4.7293 4.7293 4.8175 4.8175 9.3660 9.3660 k = 0.7121 0.0909-0.2248 ( 8744 PWs) bands (ev): -11.2040 -11.2040 -10.9107 -10.9107 -10.8739 -10.8739 -10.7874 -10.7874 -10.5995 -10.5995 -10.5794 -10.5794 -1.1086 -1.1086 -0.6440 -0.6440 -0.3429 -0.3429 -0.1922 -0.1922 0.0125 0.0125 0.1508 0.1508 0.2990 0.2990 0.6049 0.6049 0.8102 0.8102 0.9185 0.9185 1.1829 1.1829 1.2984 1.2984 1.4778 1.4778 1.6757 1.6757 1.9758 1.9758 2.0593 2.0593 2.1921 2.1921 2.2632 2.2632 3.2553 3.2553 3.3238 3.3238 3.4077 3.4077 3.5167 3.5167 3.6290 3.6290 3.6922 3.6922 4.5149 4.5149 4.5768 4.5768 4.7173 4.7173 4.8170 4.8170 9.3668 9.3668 k = 0.7020 0.0985-0.2060 ( 8750 PWs) bands (ev): -11.2199 -11.2199 -10.8951 -10.8951 -10.8839 -10.8839 -10.7802 -10.7802 -10.5958 -10.5958 -10.5778 -10.5778 -1.1237 -1.1237 -0.6327 -0.6327 -0.3361 -0.3361 -0.1945 -0.1945 0.0307 0.0307 0.1517 0.1517 0.2982 0.2982 0.5948 0.5948 0.8059 0.8059 0.9014 0.9014 1.2027 1.2027 1.3162 1.3162 1.4538 1.4538 1.6406 1.6406 1.9825 1.9825 2.0591 2.0591 2.1862 2.1862 2.2741 2.2741 3.2545 3.2545 3.3249 3.3249 3.4089 3.4089 3.5195 3.5195 3.6290 3.6290 3.6929 3.6929 4.5121 4.5121 4.5759 4.5759 4.7051 4.7051 4.8174 4.8174 9.3660 9.3660 k = 0.6919 0.1060-0.1873 ( 8750 PWs) bands (ev): -11.2355 -11.2355 -10.8970 -10.8970 -10.8762 -10.8762 -10.7728 -10.7728 -10.5922 -10.5922 -10.5763 -10.5763 -1.1377 -1.1377 -0.6212 -0.6212 -0.3290 -0.3290 -0.1962 -0.1962 0.0413 0.0413 0.1577 0.1577 0.2976 0.2976 0.5844 0.5844 0.7810 0.7810 0.9039 0.9039 1.2092 1.2092 1.3473 1.3473 1.4308 1.4308 1.6060 1.6060 1.9878 1.9878 2.0580 2.0580 2.1790 2.1790 2.2896 2.2896 3.2537 3.2537 3.3272 3.3272 3.4096 3.4096 3.5218 3.5218 3.6282 3.6282 3.6927 3.6927 4.5102 4.5102 4.5758 4.5758 4.6931 4.6931 4.8186 4.8186 9.3634 9.3634 k = 0.6818 0.1136-0.1686 ( 8744 PWs) bands (ev): -11.2508 -11.2508 -10.9071 -10.9071 -10.8602 -10.8602 -10.7653 -10.7653 -10.5888 -10.5888 -10.5750 -10.5750 -1.1506 -1.1506 -0.6094 -0.6094 -0.3215 -0.3215 -0.1970 -0.1970 0.0441 0.0441 0.1671 0.1671 0.2983 0.2983 0.5736 0.5736 0.7483 0.7483 0.9147 0.9147 1.2076 1.2076 1.3672 1.3672 1.4244 1.4244 1.5743 1.5743 1.9915 1.9915 2.0567 2.0567 2.1719 2.1719 2.3086 2.3086 3.2528 3.2528 3.3304 3.3304 3.4097 3.4097 3.5235 3.5235 3.6268 3.6268 3.6916 3.6916 4.5091 4.5091 4.5764 4.5764 4.6818 4.6818 4.8204 4.8204 9.3587 9.3587 k = 0.6717 0.1212-0.1499 ( 8746 PWs) bands (ev): -11.2657 -11.2657 -10.9172 -10.9172 -10.8441 -10.8441 -10.7577 -10.7577 -10.5857 -10.5857 -10.5738 -10.5738 -1.1624 -1.1624 -0.5971 -0.5971 -0.3137 -0.3137 -0.1972 -0.1972 0.0413 0.0413 0.1752 0.1752 0.3024 0.3024 0.5620 0.5620 0.7157 0.7157 0.9271 0.9271 1.2018 1.2018 1.3501 1.3501 1.4470 1.4470 1.5537 1.5537 1.9941 1.9941 2.0554 2.0554 2.1659 2.1659 2.3302 2.3302 3.2517 3.2517 3.3343 3.3343 3.4094 3.4094 3.5247 3.5247 3.6247 3.6247 3.6893 3.6893 4.5087 4.5087 4.5776 4.5776 4.6720 4.6720 4.8229 4.8229 9.3519 9.3519 k = 0.6616 0.1288-0.1311 ( 8752 PWs) bands (ev): -11.2801 -11.2801 -10.9270 -10.9270 -10.8283 -10.8283 -10.7502 -10.7502 -10.5828 -10.5828 -10.5727 -10.5727 -1.1729 -1.1729 -0.5843 -0.5843 -0.3054 -0.3054 -0.1966 -0.1966 0.0350 0.0350 0.1774 0.1774 0.3125 0.3125 0.5486 0.5486 0.6871 0.6871 0.9390 0.9390 1.1934 1.1934 1.3211 1.3211 1.4507 1.4507 1.5641 1.5641 1.9963 1.9963 2.0547 2.0547 2.1616 2.1616 2.3539 2.3539 3.2502 3.2502 3.3385 3.3385 3.4084 3.4084 3.5254 3.5254 3.6220 3.6220 3.6858 3.6858 4.5089 4.5089 4.5787 4.5787 4.6645 4.6645 4.8259 4.8259 9.3430 9.3430 k = 0.6515 0.1363-0.1124 ( 8754 PWs) bands (ev): -11.2939 -11.2939 -10.9364 -10.9364 -10.8129 -10.8129 -10.7428 -10.7428 -10.5802 -10.5802 -10.5718 -10.5718 -1.1822 -1.1822 -0.5708 -0.5708 -0.2967 -0.2967 -0.1955 -0.1955 0.0268 0.0268 0.1716 0.1716 0.3292 0.3292 0.5321 0.5321 0.6645 0.6645 0.9499 0.9499 1.1825 1.1825 1.2902 1.2902 1.4283 1.4283 1.6007 1.6007 1.9992 1.9992 2.0555 2.0555 2.1592 2.1592 2.3792 2.3792 3.2483 3.2483 3.3427 3.3427 3.4069 3.4069 3.5256 3.5256 3.6190 3.6190 3.6809 3.6809 4.5093 4.5093 4.5791 4.5791 4.6606 4.6606 4.8294 4.8294 9.3321 9.3321 k = 0.6414 0.1439-0.0937 ( 8758 PWs) bands (ev): -11.3071 -11.3071 -10.9454 -10.9454 -10.7980 -10.7980 -10.7355 -10.7355 -10.5778 -10.5778 -10.5710 -10.5710 -1.1904 -1.1904 -0.5568 -0.5568 -0.2875 -0.2875 -0.1940 -0.1940 0.0176 0.0176 0.1592 0.1592 0.3509 0.3509 0.5120 0.5120 0.6487 0.6487 0.9592 0.9592 1.1688 1.1688 1.2601 1.2601 1.3977 1.3977 1.6414 1.6414 2.0038 2.0038 2.0588 2.0588 2.1589 2.1589 2.4058 2.4058 3.2461 3.2461 3.3465 3.3465 3.4046 3.4046 3.5255 3.5255 3.6158 3.6158 3.6746 3.6746 4.5098 4.5098 4.5776 4.5776 4.6615 4.6615 4.8335 4.8335 9.3194 9.3194 k = 0.6313 0.1515-0.0749 ( 8762 PWs) bands (ev): -11.3196 -11.3196 -10.9540 -10.9540 -10.7835 -10.7835 -10.7284 -10.7284 -10.5758 -10.5758 -10.5704 -10.5704 -1.1974 -1.1974 -0.5422 -0.5422 -0.2778 -0.2778 -0.1923 -0.1923 0.0080 0.0080 0.1424 0.1424 0.3753 0.3753 0.4887 0.4887 0.6392 0.6392 0.9666 0.9666 1.1518 1.1518 1.2328 1.2328 1.3652 1.3652 1.6767 1.6767 2.0108 2.0108 2.0664 2.0664 2.1611 2.1611 2.4334 2.4334 3.2435 3.2435 3.3497 3.3497 3.4017 3.4017 3.5250 3.5250 3.6125 3.6125 3.6668 3.6668 4.5102 4.5102 4.5739 4.5739 4.6676 4.6676 4.8381 4.8381 9.3051 9.3051 k = 0.6212 0.1591-0.0562 ( 8764 PWs) bands (ev): -11.3314 -11.3314 -10.9620 -10.9620 -10.7696 -10.7696 -10.7216 -10.7216 -10.5741 -10.5741 -10.5699 -10.5699 -1.2034 -1.2034 -0.5272 -0.5272 -0.2677 -0.2677 -0.1905 -0.1905 -0.0017 -0.0017 0.1232 0.1232 0.3999 0.3999 0.4644 0.4644 0.6344 0.6344 0.9716 0.9716 1.1316 1.1316 1.2094 1.2094 1.3325 1.3325 1.7026 1.7026 2.0191 2.0191 2.0795 2.0795 2.1667 2.1667 2.4619 2.4619 3.2406 3.2406 3.3522 3.3522 3.3981 3.3981 3.5242 3.5242 3.6094 3.6094 3.6577 3.6577 4.5102 4.5102 4.5684 4.5684 4.6782 4.6782 4.8433 4.8433 9.2897 9.2897 k = 0.6111 0.1666-0.0375 ( 8768 PWs) bands (ev): -11.3424 -11.3424 -10.9695 -10.9695 -10.7564 -10.7564 -10.7151 -10.7151 -10.5727 -10.5727 -10.5695 -10.5695 -1.2083 -1.2083 -0.5118 -0.5118 -0.2573 -0.2573 -0.1888 -0.1888 -0.0114 -0.0114 0.1034 0.1034 0.4155 0.4155 0.4484 0.4484 0.6329 0.6329 0.9732 0.9732 1.1102 1.1102 1.1898 1.1898 1.3006 1.3006 1.7183 1.7183 2.0271 2.0271 2.0972 2.0972 2.1780 2.1780 2.4911 2.4911 3.2375 3.2375 3.3537 3.3537 3.3937 3.3937 3.5231 3.5231 3.6065 3.6065 3.6474 3.6474 4.5099 4.5099 4.5618 4.5618 4.6922 4.6922 4.8490 4.8490 9.2734 9.2734 k = 0.6010 0.1742-0.0188 ( 8766 PWs) bands (ev): -11.3526 -11.3526 -10.9764 -10.9764 -10.7439 -10.7439 -10.7088 -10.7088 -10.5716 -10.5716 -10.5692 -10.5692 -1.2123 -1.2123 -0.4963 -0.4963 -0.2468 -0.2468 -0.1875 -0.1875 -0.0208 -0.0208 0.0845 0.0845 0.3993 0.3993 0.4633 0.4633 0.6334 0.6334 0.9701 0.9701 1.0908 1.0908 1.1728 1.1728 1.2697 1.2697 1.7252 1.7252 2.0344 2.0344 2.1141 2.1141 2.1985 2.1985 2.5209 2.5209 3.2343 3.2343 3.3542 3.3542 3.3887 3.3887 3.5217 3.5217 3.6039 3.6039 3.6360 3.6360 4.5094 4.5094 4.5548 4.5548 4.7081 4.7081 4.8554 4.8554 9.2568 9.2568 k = 0.5909 0.1818-0.0000 ( 8780 PWs) bands (ev): -11.3619 -11.3619 -10.9828 -10.9828 -10.7321 -10.7321 -10.7030 -10.7030 -10.5708 -10.5708 -10.5691 -10.5691 -1.2154 -1.2154 -0.4808 -0.4808 -0.2366 -0.2366 -0.1866 -0.1866 -0.0299 -0.0299 0.0677 0.0677 0.3728 0.3728 0.4875 0.4875 0.6353 0.6353 0.9613 0.9613 1.0759 1.0759 1.1576 1.1576 1.2402 1.2402 1.7255 1.7255 2.0411 2.0411 2.1261 2.1261 2.2289 2.2289 2.5511 2.5511 3.2310 3.2310 3.3537 3.3537 3.3829 3.3829 3.5201 3.5201 3.6016 3.6016 3.6239 3.6239 4.5085 4.5085 4.5479 4.5479 4.7249 4.7249 4.8624 4.8624 9.2401 9.2401 k = 0.5808 0.1894 0.0187 ( 8760 PWs) bands (ev): -11.3703 -11.3703 -10.9886 -10.9886 -10.7212 -10.7212 -10.6976 -10.6976 -10.5704 -10.5704 -10.5690 -10.5690 -1.2178 -1.2178 -0.4657 -0.4657 -0.2273 -0.2273 -0.1859 -0.1859 -0.0386 -0.0386 0.0542 0.0542 0.3449 0.3449 0.5118 0.5118 0.6382 0.6382 0.9473 0.9473 1.0663 1.0663 1.1436 1.1436 1.2126 1.2126 1.7216 1.7216 2.0473 2.0473 2.1338 2.1338 2.2651 2.2651 2.5817 2.5817 3.2279 3.2279 3.3521 3.3521 3.3766 3.3766 3.5183 3.5183 3.5991 3.5991 3.6120 3.6120 4.5074 4.5074 4.5415 4.5415 4.7415 4.7415 4.8702 4.8702 9.2239 9.2239 k = 0.5707 0.1970 0.0374 ( 8760 PWs) bands (ev): -11.3778 -11.3778 -10.9937 -10.9937 -10.7113 -10.7113 -10.6927 -10.6927 -10.5702 -10.5702 -10.5691 -10.5691 -1.2196 -1.2196 -0.4511 -0.4511 -0.2199 -0.2199 -0.1848 -0.1848 -0.0467 -0.0467 0.0447 0.0447 0.3168 0.3168 0.5346 0.5346 0.6419 0.6419 0.9303 0.9303 1.0604 1.0604 1.1308 1.1308 1.1873 1.1873 1.7153 1.7153 2.0532 2.0532 2.1392 2.1392 2.3024 2.3024 2.6124 2.6124 3.2251 3.2251 3.3496 3.3496 3.3698 3.3698 3.5164 3.5164 3.5936 3.5936 3.6035 3.6035 4.5061 4.5061 4.5357 4.5357 4.7570 4.7570 4.8787 4.8787 9.2084 9.2084 k = 0.5606 0.2045 0.0562 ( 8750 PWs) bands (ev): -11.3844 -11.3844 -10.9982 -10.9982 -10.7024 -10.7024 -10.6883 -10.6883 -10.5701 -10.5701 -10.5693 -10.5693 -1.2208 -1.2208 -0.4375 -0.4375 -0.2158 -0.2158 -0.1823 -0.1823 -0.0540 -0.0540 0.0397 0.0397 0.2888 0.2888 0.5549 0.5549 0.6464 0.6464 0.9129 0.9129 1.0560 1.0560 1.1195 1.1195 1.1646 1.1646 1.7080 1.7080 2.0585 2.0585 2.1434 2.1434 2.3377 2.3377 2.6425 2.6425 3.2226 3.2226 3.3462 3.3462 3.3628 3.3628 3.5144 3.5144 3.5831 3.5831 3.6008 3.6008 4.5047 4.5047 4.5307 4.5307 4.7707 4.7707 4.8878 4.8878 9.1941 9.1941 k = 0.5505 0.2121 0.0749 ( 8758 PWs) bands (ev): -11.3899 -11.3899 -11.0020 -11.0020 -10.6946 -10.6946 -10.6844 -10.6844 -10.5702 -10.5702 -10.5695 -10.5695 -1.2216 -1.2216 -0.4251 -0.4251 -0.2153 -0.2153 -0.1781 -0.1781 -0.0603 -0.0603 0.0393 0.0393 0.2614 0.2614 0.5720 0.5720 0.6519 0.6519 0.8968 0.8968 1.0513 1.0513 1.1101 1.1101 1.1453 1.1453 1.7005 1.7005 2.0632 2.0632 2.1469 2.1469 2.3690 2.3690 2.6715 2.6715 3.2205 3.2205 3.3423 3.3423 3.3557 3.3557 3.5124 3.5124 3.5721 3.5721 3.5998 3.5998 4.5032 4.5032 4.5266 4.5266 4.7822 4.7822 4.8970 4.8970 9.1813 9.1813 k = 0.5404 0.2197 0.0936 ( 8748 PWs) bands (ev): -11.3945 -11.3945 -11.0051 -11.0051 -10.6880 -10.6880 -10.6812 -10.6812 -10.5704 -10.5704 -10.5699 -10.5699 -1.2220 -1.2220 -0.4143 -0.4143 -0.2172 -0.2172 -0.1733 -0.1733 -0.0654 -0.0654 0.0430 0.0430 0.2351 0.2351 0.5852 0.5852 0.6582 0.6582 0.8833 0.8833 1.0454 1.0454 1.1029 1.1029 1.1297 1.1297 1.6937 1.6937 2.0672 2.0672 2.1499 2.1499 2.3954 2.3954 2.6981 2.6981 3.2188 3.2188 3.3382 3.3382 3.3488 3.3488 3.5104 3.5104 3.5624 3.5624 3.5993 3.5993 4.5017 4.5017 4.5233 4.5233 4.7913 4.7913 4.9059 4.9059 9.1704 9.1704 k = 0.5303 0.2273 0.1124 ( 8740 PWs) bands (ev): -11.3981 -11.3981 -11.0076 -11.0076 -10.6828 -10.6828 -10.6786 -10.6786 -10.5706 -10.5706 -10.5702 -10.5702 -1.2223 -1.2223 -0.4056 -0.4056 -0.2201 -0.2201 -0.1689 -0.1689 -0.0692 -0.0692 0.0501 0.0501 0.2105 0.2105 0.5943 0.5943 0.6649 0.6649 0.8728 0.8728 1.0386 1.0386 1.0979 1.0979 1.1181 1.1181 1.6880 1.6880 2.0703 2.0703 2.1523 2.1523 2.4161 2.4161 2.7210 2.7210 3.2177 3.2177 3.3341 3.3341 3.3427 3.3427 3.5086 3.5086 3.5545 3.5545 3.5991 3.5991 4.5003 4.5003 4.5210 4.5210 4.7981 4.7981 4.9137 4.9137 9.1615 9.1615 k = 0.5202 0.2348 0.1311 ( 8730 PWs) bands (ev): -11.4007 -11.4007 -11.0093 -11.0093 -10.6791 -10.6791 -10.6766 -10.6766 -10.5709 -10.5709 -10.5704 -10.5704 -1.2224 -1.2224 -0.3990 -0.3990 -0.2228 -0.2228 -0.1657 -0.1657 -0.0718 -0.0718 0.0592 0.0592 0.1892 0.1892 0.6000 0.6000 0.6709 0.6709 0.8655 0.8655 1.0321 1.0321 1.0944 1.0944 1.1106 1.1106 1.6836 1.6836 2.0725 2.0725 2.1541 2.1541 2.4310 2.4310 2.7388 2.7388 3.2170 3.2170 3.3306 3.3306 3.3378 3.3378 3.5069 3.5069 3.5488 3.5488 3.5990 3.5990 4.4992 4.4992 4.5193 4.5193 4.8028 4.8028 4.9198 4.9198 9.1550 9.1550 k = 0.5101 0.2424 0.1498 ( 8716 PWs) bands (ev): -11.4022 -11.4022 -11.0104 -11.0104 -10.6770 -10.6770 -10.6751 -10.6751 -10.5711 -10.5711 -10.5705 -10.5705 -1.2224 -1.2224 -0.3950 -0.3950 -0.2247 -0.2247 -0.1638 -0.1638 -0.0732 -0.0732 0.0676 0.0676 0.1735 0.1735 0.6031 0.6031 0.6751 0.6751 0.8613 0.8613 1.0274 1.0274 1.0921 1.0921 1.1065 1.1065 1.6810 1.6810 2.0739 2.0739 2.1553 2.1553 2.4400 2.4400 2.7501 2.7501 3.2166 3.2166 3.3282 3.3282 3.3348 3.3348 3.5058 3.5058 3.5455 3.5455 3.5990 3.5990 4.4985 4.4985 4.5184 4.5184 4.8056 4.8056 4.9237 4.9237 9.1511 9.1511 k = 0.5000 0.2500 0.1685 ( 8684 PWs) bands (ev): -11.4027 -11.4027 -11.0107 -11.0107 -10.6764 -10.6764 -10.6746 -10.6746 -10.5712 -10.5712 -10.5706 -10.5706 -1.2224 -1.2224 -0.3937 -0.3937 -0.2254 -0.2254 -0.1631 -0.1631 -0.0737 -0.0737 0.0712 0.0712 0.1675 0.1675 0.6040 0.6040 0.6766 0.6766 0.8600 0.8600 1.0257 1.0257 1.0913 1.0913 1.1053 1.1053 1.6801 1.6801 2.0743 2.0743 2.1557 2.1557 2.4430 2.4430 2.7540 2.7540 3.2165 3.2165 3.3273 3.3273 3.3338 3.3338 3.5055 3.5055 3.5444 3.5444 3.5990 3.5990 4.4983 4.4983 4.5181 4.5181 4.8065 4.8065 4.9251 4.9251 9.1497 9.1497 k = 0.5000 0.2500 0.1685 ( 8684 PWs) bands (ev): -11.4027 -11.4027 -11.0107 -11.0107 -10.6764 -10.6764 -10.6746 -10.6746 -10.5712 -10.5712 -10.5706 -10.5706 -1.2224 -1.2224 -0.3937 -0.3937 -0.2254 -0.2254 -0.1631 -0.1631 -0.0737 -0.0737 0.0712 0.0712 0.1675 0.1675 0.6040 0.6040 0.6766 0.6766 0.8600 0.8600 1.0257 1.0257 1.0913 1.0913 1.1053 1.1053 1.6801 1.6801 2.0743 2.0743 2.1557 2.1557 2.4430 2.4430 2.7540 2.7540 3.2165 3.2165 3.3273 3.3273 3.3338 3.3338 3.5055 3.5055 3.5444 3.5444 3.5990 3.5990 4.4983 4.4983 4.5181 4.5181 4.8065 4.8065 4.9251 4.9251 9.1497 9.1497 k = 0.4808 0.2404 0.1621 ( 8711 PWs) bands (ev): -11.4037 -11.4037 -11.0097 -11.0097 -10.6764 -10.6764 -10.6745 -10.6745 -10.5712 -10.5712 -10.5706 -10.5706 -1.2221 -1.2221 -0.3982 -0.3982 -0.2298 -0.2298 -0.1592 -0.1592 -0.0767 -0.0767 0.0736 0.0736 0.1670 0.1670 0.6038 0.6038 0.6766 0.6766 0.8570 0.8570 1.0298 1.0298 1.0911 1.0911 1.1096 1.1096 1.6802 1.6802 2.0752 2.0752 2.1564 2.1564 2.4437 2.4437 2.7544 2.7544 3.2165 3.2165 3.3272 3.3272 3.3336 3.3336 3.5053 3.5053 3.5444 3.5444 3.5990 3.5990 4.4988 4.4988 4.5185 4.5185 4.8068 4.8068 4.9251 4.9251 9.1506 9.1506 k = 0.4615 0.2308 0.1556 ( 8723 PWs) bands (ev): -11.4064 -11.4064 -11.0064 -11.0064 -10.6762 -10.6762 -10.6744 -10.6744 -10.5714 -10.5714 -10.5707 -10.5707 -1.2211 -1.2211 -0.4117 -0.4117 -0.2405 -0.2405 -0.1499 -0.1499 -0.0849 -0.0849 0.0801 0.0801 0.1658 0.1658 0.6032 0.6032 0.6767 0.6767 0.8493 0.8493 1.0385 1.0385 1.0905 1.0905 1.1245 1.1245 1.6809 1.6809 2.0776 2.0776 2.1585 2.1585 2.4458 2.4458 2.7556 2.7556 3.2165 3.2165 3.3269 3.3269 3.3333 3.3333 3.5049 3.5049 3.5444 3.5444 3.5990 3.5990 4.5006 4.5006 4.5199 4.5199 4.8077 4.8077 4.9253 4.9253 9.1531 9.1531 k = 0.4423 0.2211 0.1491 ( 8729 PWs) bands (ev): -11.4109 -11.4109 -11.0012 -11.0012 -10.6760 -10.6760 -10.6741 -10.6741 -10.5716 -10.5716 -10.5710 -10.5710 -1.2195 -1.2195 -0.4334 -0.4334 -0.2543 -0.2543 -0.1386 -0.1386 -0.0968 -0.0968 0.0890 0.0890 0.1639 0.1639 0.6023 0.6023 0.6770 0.6770 0.8399 0.8399 1.0453 1.0453 1.0896 1.0896 1.1527 1.1527 1.6821 1.6821 2.0817 2.0817 2.1619 2.1619 2.4493 2.4493 2.7576 2.7576 3.2166 3.2166 3.3264 3.3264 3.3328 3.3328 3.5042 3.5042 3.5445 3.5445 3.5989 3.5989 4.5034 4.5034 4.5221 4.5221 4.8092 4.8092 4.9255 4.9255 9.1573 9.1573 k = 0.4231 0.2115 0.1426 ( 8741 PWs) bands (ev): -11.4169 -11.4169 -10.9941 -10.9941 -10.6756 -10.6756 -10.6738 -10.6738 -10.5719 -10.5719 -10.5713 -10.5713 -1.2172 -1.2172 -0.4625 -0.4625 -0.2691 -0.2691 -0.1272 -0.1272 -0.1109 -0.1109 0.0986 0.0986 0.1618 0.1618 0.6013 0.6013 0.6774 0.6774 0.8307 0.8307 1.0482 1.0482 1.0883 1.0883 1.1926 1.1926 1.6844 1.6844 2.0873 2.0873 2.1666 2.1666 2.4543 2.4543 2.7603 2.7603 3.2166 3.2166 3.3258 3.3258 3.3321 3.3321 3.5031 3.5031 3.5445 3.5445 3.5989 3.5989 4.5073 4.5073 4.5252 4.5252 4.8113 4.8113 4.9259 4.9259 9.1630 9.1630 k = 0.4038 0.2019 0.1361 ( 8744 PWs) bands (ev): -11.4242 -11.4242 -10.9855 -10.9855 -10.6752 -10.6752 -10.6734 -10.6734 -10.5723 -10.5723 -10.5717 -10.5717 -1.2142 -1.2142 -0.4978 -0.4978 -0.2843 -0.2843 -0.1261 -0.1261 -0.1166 -0.1166 0.1073 0.1073 0.1600 0.1600 0.6004 0.6004 0.6782 0.6782 0.8226 0.8226 1.0483 1.0483 1.0868 1.0868 1.2402 1.2402 1.6884 1.6884 2.0942 2.0942 2.1725 2.1725 2.4606 2.4606 2.7637 2.7637 3.2167 3.2167 3.3250 3.3250 3.3312 3.3312 3.5019 3.5019 3.5445 3.5445 3.5987 3.5987 4.5121 4.5121 4.5291 4.5291 4.8138 4.8138 4.9263 4.9263 9.1700 9.1700 k = 0.3846 0.1923 0.1296 ( 8744 PWs) bands (ev): -11.4325 -11.4325 -10.9756 -10.9756 -10.6746 -10.6746 -10.6728 -10.6728 -10.5728 -10.5728 -10.5722 -10.5722 -1.2107 -1.2107 -0.5380 -0.5380 -0.2992 -0.2992 -0.1416 -0.1416 -0.1075 -0.1075 0.1137 0.1137 0.1589 0.1589 0.5998 0.5998 0.6796 0.6796 0.8160 0.8160 1.0469 1.0469 1.0852 1.0852 1.2914 1.2914 1.6952 1.6952 2.1023 2.1023 2.1794 2.1794 2.4684 2.4684 2.7677 2.7677 3.2168 3.2168 3.3243 3.3243 3.3303 3.3303 3.5004 3.5004 3.5444 3.5444 3.5984 3.5984 4.5179 4.5179 4.5338 4.5338 4.8168 4.8168 4.9267 4.9267 9.1775 9.1775 k = 0.3654 0.1827 0.1232 ( 8732 PWs) bands (ev): -11.4416 -11.4416 -10.9646 -10.9646 -10.6740 -10.6740 -10.6722 -10.6722 -10.5733 -10.5733 -10.5727 -10.5727 -1.2067 -1.2067 -0.5818 -0.5818 -0.3137 -0.3137 -0.1569 -0.1569 -0.1001 -0.1001 0.1168 0.1168 0.1589 0.1589 0.5998 0.5998 0.6815 0.6815 0.8111 0.8111 1.0447 1.0447 1.0834 1.0834 1.3425 1.3425 1.7065 1.7065 2.1115 2.1115 2.1873 2.1873 2.4775 2.4775 2.7722 2.7722 3.2169 3.2169 3.3236 3.3236 3.3294 3.3294 3.4985 3.4985 3.5441 3.5441 3.5979 3.5979 4.5245 4.5245 4.5392 4.5392 4.8200 4.8200 4.9272 4.9272 9.1842 9.1842 k = 0.3462 0.1731 0.1167 ( 8729 PWs) bands (ev): -11.4513 -11.4513 -10.9529 -10.9529 -10.6733 -10.6733 -10.6715 -10.6715 -10.5740 -10.5740 -10.5733 -10.5733 -1.2021 -1.2021 -0.6282 -0.6282 -0.3274 -0.3274 -0.1716 -0.1716 -0.0949 -0.0949 0.1165 0.1165 0.1596 0.1596 0.6005 0.6005 0.6843 0.6843 0.8077 0.8077 1.0423 1.0423 1.0816 1.0816 1.3895 1.3895 1.7246 1.7246 2.1215 2.1215 2.1959 2.1959 2.4880 2.4880 2.7771 2.7771 3.2170 3.2170 3.3230 3.3230 3.3285 3.3285 3.4963 3.4963 3.5438 3.5438 3.5972 3.5972 4.5318 4.5318 4.5453 4.5453 4.8235 4.8235 4.9275 4.9275 9.1865 9.1865 k = 0.3269 0.1635 0.1102 ( 8744 PWs) bands (ev): -11.4613 -11.4613 -10.9406 -10.9406 -10.6726 -10.6726 -10.6707 -10.6707 -10.5746 -10.5746 -10.5740 -10.5740 -1.1970 -1.1970 -0.6760 -0.6760 -0.3402 -0.3402 -0.1855 -0.1855 -0.0918 -0.0918 0.1135 0.1135 0.1599 0.1599 0.6022 0.6022 0.6878 0.6878 0.8060 0.8060 1.0399 1.0399 1.0799 1.0799 1.4286 1.4286 1.7519 1.7519 2.1322 2.1322 2.2053 2.2053 2.4999 2.4999 2.7824 2.7824 3.2171 3.2171 3.3225 3.3225 3.3277 3.3277 3.4937 3.4937 3.5432 3.5432 3.5963 3.5963 4.5397 4.5397 4.5519 4.5519 4.8269 4.8269 4.9278 4.9278 9.1769 9.1769 k = 0.3077 0.1538 0.1037 ( 8753 PWs) bands (ev): -11.4715 -11.4715 -10.9280 -10.9280 -10.6717 -10.6717 -10.6699 -10.6699 -10.5754 -10.5754 -10.5748 -10.5748 -1.1916 -1.1916 -0.7244 -0.7244 -0.3519 -0.3519 -0.1984 -0.1984 -0.0911 -0.0911 0.1085 0.1085 0.1588 0.1588 0.6050 0.6050 0.6923 0.6923 0.8057 0.8057 1.0377 1.0377 1.0783 1.0783 1.4572 1.4572 1.7897 1.7897 2.1435 2.1435 2.2151 2.2151 2.5135 2.5135 2.7879 2.7879 3.2172 3.2172 3.3222 3.3222 3.3270 3.3270 3.4909 3.4909 3.5424 3.5424 3.5951 3.5951 4.5481 4.5481 4.5592 4.5592 4.8303 4.8303 4.9279 4.9279 9.1452 9.1452 k = 0.2885 0.1442 0.0972 ( 8753 PWs) bands (ev): -11.4818 -11.4818 -10.9153 -10.9153 -10.6709 -10.6709 -10.6690 -10.6690 -10.5762 -10.5762 -10.5756 -10.5756 -1.1858 -1.1858 -0.7726 -0.7726 -0.3626 -0.3626 -0.2101 -0.2101 -0.0926 -0.0926 0.1021 0.1021 0.1556 0.1556 0.6089 0.6089 0.6975 0.6975 0.8068 0.8068 1.0361 1.0361 1.0768 1.0768 1.4754 1.4754 1.8369 1.8369 2.1553 2.1553 2.2254 2.2254 2.5287 2.5287 2.7936 2.7936 3.2174 3.2174 3.3222 3.3222 3.3264 3.3264 3.4876 3.4876 3.5414 3.5414 3.5936 3.5936 4.5570 4.5570 4.5670 4.5670 4.8333 4.8333 4.9277 4.9277 9.0899 9.0899 k = 0.2692 0.1346 0.0908 ( 8759 PWs) bands (ev): -11.4918 -11.4918 -10.9027 -10.9027 -10.6699 -10.6699 -10.6681 -10.6681 -10.5770 -10.5770 -10.5764 -10.5764 -1.1797 -1.1797 -0.8199 -0.8199 -0.3721 -0.3721 -0.2208 -0.2208 -0.0962 -0.0962 0.0947 0.0947 0.1503 0.1503 0.6137 0.6137 0.7036 0.7036 0.8094 0.8094 1.0350 1.0350 1.0756 1.0756 1.4848 1.4848 1.8905 1.8905 2.1673 2.1673 2.2358 2.2358 2.5459 2.5459 2.7993 2.7993 3.2175 3.2175 3.3224 3.3224 3.3259 3.3259 3.4839 3.4839 3.5401 3.5401 3.5918 3.5918 4.5661 4.5661 4.5752 4.5752 4.8360 4.8360 4.9273 4.9273 9.0196 9.0196 k = 0.2500 0.1250 0.0843 ( 8753 PWs) bands (ev): -11.5016 -11.5016 -10.8902 -10.8902 -10.6690 -10.6690 -10.6671 -10.6671 -10.5779 -10.5779 -10.5773 -10.5773 -1.1734 -1.1734 -0.8657 -0.8657 -0.3803 -0.3803 -0.2301 -0.2301 -0.1019 -0.1019 0.0865 0.0865 0.1428 0.1428 0.6195 0.6195 0.7102 0.7102 0.8131 0.8131 1.0345 1.0345 1.0747 1.0747 1.4878 1.4878 1.9472 1.9472 2.1796 2.1796 2.2463 2.2463 2.5653 2.5653 2.8049 2.8049 3.2177 3.2177 3.3229 3.3229 3.3256 3.3256 3.4797 3.4797 3.5387 3.5387 3.5898 3.5898 4.5755 4.5755 4.5840 4.5840 4.8380 4.8380 4.9265 4.9265 8.9425 8.9425 k = 0.2308 0.1154 0.0778 ( 8747 PWs) bands (ev): -11.5111 -11.5111 -10.8782 -10.8782 -10.6680 -10.6680 -10.6662 -10.6662 -10.5788 -10.5788 -10.5782 -10.5782 -1.1670 -1.1670 -0.9097 -0.9097 -0.3873 -0.3873 -0.2382 -0.2382 -0.1094 -0.1094 0.0778 0.0778 0.1333 0.1333 0.6258 0.6258 0.7174 0.7174 0.8180 0.8180 1.0347 1.0347 1.0741 1.0741 1.4863 1.4863 2.0038 2.0038 2.1920 2.1920 2.2568 2.2568 2.5872 2.5872 2.8103 2.8103 3.2178 3.2178 3.3237 3.3237 3.3255 3.3255 3.4752 3.4752 3.5370 3.5370 3.5875 3.5875 4.5849 4.5849 4.5932 4.5932 4.8393 4.8393 4.9253 4.9253 8.8631 8.8631 k = 0.2115 0.1058 0.0713 ( 8759 PWs) bands (ev): -11.5200 -11.5200 -10.8666 -10.8666 -10.6670 -10.6670 -10.6652 -10.6652 -10.5797 -10.5797 -10.5790 -10.5790 -1.1605 -1.1605 -0.9513 -0.9513 -0.3929 -0.3929 -0.2451 -0.2451 -0.1184 -0.1184 0.0687 0.0687 0.1223 0.1223 0.6326 0.6326 0.7248 0.7248 0.8238 0.8238 1.0354 1.0354 1.0737 1.0737 1.4819 1.4819 2.0579 2.0579 2.2044 2.2044 2.2671 2.2671 2.6121 2.6121 2.8156 2.8156 3.2179 3.2179 3.3247 3.3247 3.3253 3.3253 3.4701 3.4701 3.5351 3.5351 3.5850 3.5850 4.5944 4.5944 4.6028 4.6028 4.8397 4.8397 4.9236 4.9236 8.7841 8.7841 k = 0.1923 0.0961 0.0648 ( 8765 PWs) bands (ev): -11.5285 -11.5285 -10.8557 -10.8557 -10.6661 -10.6661 -10.6642 -10.6642 -10.5805 -10.5805 -10.5799 -10.5799 -1.1542 -1.1542 -0.9902 -0.9902 -0.3974 -0.3974 -0.2507 -0.2507 -0.1285 -0.1285 0.0595 0.0595 0.1101 0.1101 0.6394 0.6394 0.7322 0.7322 0.8305 0.8305 1.0366 1.0366 1.0737 1.0737 1.4753 1.4753 2.1074 2.1074 2.2168 2.2168 2.2771 2.2771 2.6400 2.6400 2.8205 2.8205 3.2180 3.2180 3.3252 3.3252 3.3259 3.3259 3.4646 3.4646 3.5331 3.5331 3.5823 3.5823 4.6039 4.6039 4.6128 4.6128 4.8391 4.8391 4.9215 4.9215 8.7071 8.7071 k = 0.1731 0.0865 0.0583 ( 8750 PWs) bands (ev): -11.5363 -11.5363 -10.8455 -10.8455 -10.6651 -10.6651 -10.6633 -10.6633 -10.5814 -10.5814 -10.5808 -10.5808 -1.1480 -1.1480 -1.0263 -1.0263 -0.4006 -0.4006 -0.2551 -0.2551 -0.1395 -0.1395 0.0504 0.0504 0.0971 0.0971 0.6462 0.6462 0.7396 0.7396 0.8379 0.8379 1.0382 1.0382 1.0739 1.0739 1.4675 1.4675 2.1508 2.1508 2.2294 2.2294 2.2866 2.2866 2.6710 2.6710 2.8251 2.8251 3.2182 3.2182 3.3249 3.3249 3.3274 3.3274 3.4587 3.4587 3.5311 3.5311 3.5796 3.5796 4.6132 4.6132 4.6232 4.6232 4.8375 4.8375 4.9189 4.9189 8.6336 8.6336 k = 0.1538 0.0769 0.0519 ( 8753 PWs) bands (ev): -11.5434 -11.5434 -10.8361 -10.8361 -10.6642 -10.6642 -10.6624 -10.6624 -10.5822 -10.5822 -10.5816 -10.5816 -1.1421 -1.1421 -1.0591 -1.0591 -0.4028 -0.4028 -0.2585 -0.2585 -0.1509 -0.1509 0.0416 0.0416 0.0838 0.0838 0.6526 0.6526 0.7466 0.7466 0.8456 0.8456 1.0400 1.0400 1.0744 1.0744 1.4589 1.4589 2.1871 2.1871 2.2425 2.2425 2.2955 2.2955 2.7046 2.7046 2.8292 2.8292 3.2183 3.2183 3.3244 3.3244 3.3290 3.3290 3.4524 3.4524 3.5289 3.5289 3.5768 3.5768 4.6222 4.6222 4.6337 4.6337 4.8348 4.8348 4.9160 4.9160 8.5647 8.5647 k = 0.1346 0.0673 0.0454 ( 8774 PWs) bands (ev): -11.5498 -11.5498 -10.8276 -10.8276 -10.6634 -10.6634 -10.6615 -10.6615 -10.5830 -10.5830 -10.5824 -10.5824 -1.1366 -1.1366 -1.0884 -1.0884 -0.4039 -0.4039 -0.2608 -0.2608 -0.1625 -0.1625 0.0333 0.0333 0.0705 0.0705 0.6586 0.6586 0.7531 0.7531 0.8536 0.8536 1.0418 1.0418 1.0750 1.0750 1.4501 1.4501 2.2151 2.2151 2.2567 2.2567 2.3037 2.3037 2.7400 2.7400 2.8329 2.8329 3.2183 3.2183 3.3235 3.3235 3.3307 3.3307 3.4461 3.4461 3.5268 3.5268 3.5740 3.5740 4.6309 4.6309 4.6444 4.6444 4.8312 4.8312 4.9127 4.9127 8.5014 8.5014 k = 0.1154 0.0577 0.0389 ( 8771 PWs) bands (ev): -11.5554 -11.5554 -10.8201 -10.8201 -10.6626 -10.6626 -10.6607 -10.6607 -10.5837 -10.5837 -10.5831 -10.5831 -1.1317 -1.1317 -1.1141 -1.1141 -0.4041 -0.4041 -0.2623 -0.2623 -0.1737 -0.1737 0.0258 0.0258 0.0578 0.0578 0.6639 0.6639 0.7590 0.7590 0.8616 0.8616 1.0435 1.0435 1.0758 1.0758 1.4415 1.4415 2.2352 2.2352 2.2719 2.2719 2.3111 2.3111 2.7758 2.7758 2.8362 2.8362 3.2184 3.2184 3.3221 3.3221 3.3323 3.3323 3.4398 3.4398 3.5248 3.5248 3.5714 3.5714 4.6389 4.6389 4.6550 4.6550 4.8267 4.8267 4.9092 4.9092 8.4445 8.4445 k = 0.0962 0.0481 0.0324 ( 8768 PWs) bands (ev): -11.5602 -11.5602 -10.8136 -10.8136 -10.6619 -10.6619 -10.6600 -10.6600 -10.5844 -10.5844 -10.5838 -10.5838 -1.1369 -1.1369 -1.1266 -1.1266 -0.4037 -0.4037 -0.2632 -0.2632 -0.1842 -0.1842 0.0194 0.0194 0.0459 0.0459 0.6685 0.6685 0.7641 0.7641 0.8692 0.8692 1.0451 1.0451 1.0766 1.0766 1.4334 1.4334 2.2489 2.2489 2.2868 2.2868 2.3176 2.3176 2.8105 2.8105 2.8389 2.8389 3.2185 3.2185 3.3200 3.3200 3.3339 3.3339 3.4338 3.4338 3.5229 3.5229 3.5689 3.5689 4.6463 4.6463 4.6653 4.6653 4.8215 4.8215 4.9057 4.9057 8.3949 8.3949 k = 0.0769 0.0385 0.0259 ( 8771 PWs) bands (ev): -11.5642 -11.5642 -10.8083 -10.8083 -10.6613 -10.6613 -10.6594 -10.6594 -10.5849 -10.5849 -10.5843 -10.5843 -1.1548 -1.1548 -1.1230 -1.1230 -0.4027 -0.4027 -0.2635 -0.2635 -0.1936 -0.1936 0.0141 0.0141 0.0352 0.0352 0.6723 0.6723 0.7684 0.7684 0.8761 0.8761 1.0463 1.0463 1.0774 1.0774 1.4263 1.4263 2.2587 2.2587 2.2995 2.2995 2.3230 2.3230 2.8412 2.8412 2.8424 2.8424 3.2186 3.2186 3.3175 3.3175 3.3354 3.3354 3.4286 3.4286 3.5212 3.5212 3.5668 3.5668 4.6528 4.6528 4.6750 4.6750 4.8160 4.8160 4.9025 4.9025 8.3532 8.3532 k = 0.0577 0.0288 0.0194 ( 8783 PWs) bands (ev): -11.5673 -11.5673 -10.8041 -10.8041 -10.6608 -10.6608 -10.6589 -10.6589 -10.5854 -10.5854 -10.5848 -10.5848 -1.1691 -1.1691 -1.1200 -1.1200 -0.4016 -0.4016 -0.2635 -0.2635 -0.2015 -0.2015 0.0103 0.0103 0.0260 0.0260 0.6753 0.6753 0.7718 0.7718 0.8820 0.8820 1.0472 1.0472 1.0782 1.0782 1.4204 1.4204 2.2659 2.2659 2.3094 2.3094 2.3273 2.3273 2.8429 2.8429 2.8698 2.8698 3.2186 3.2186 3.3145 3.3145 3.3366 3.3366 3.4242 3.4242 3.5199 3.5199 3.5651 3.5651 4.6581 4.6581 4.6837 4.6837 4.8106 4.8106 4.8996 4.8996 8.3202 8.3202 k = 0.0385 0.0192 0.0130 ( 8789 PWs) bands (ev): -11.5695 -11.5695 -10.8010 -10.8010 -10.6605 -10.6605 -10.6586 -10.6586 -10.5857 -10.5857 -10.5851 -10.5851 -1.1793 -1.1793 -1.1178 -1.1178 -0.4006 -0.4006 -0.2633 -0.2633 -0.2074 -0.2074 0.0081 0.0081 0.0186 0.0186 0.6774 0.6774 0.7742 0.7742 0.8865 0.8865 1.0478 1.0478 1.0787 1.0787 1.4160 1.4160 2.2708 2.2708 2.3163 2.3163 2.3305 2.3305 2.8442 2.8442 2.8908 2.8908 3.2187 3.2187 3.3117 3.3117 3.3375 3.3375 3.4209 3.4209 3.5189 3.5189 3.5638 3.5638 4.6621 4.6621 4.6907 4.6907 4.8059 4.8059 4.8973 4.8973 8.2962 8.2962 k = 0.0192 0.0096 0.0065 ( 8778 PWs) bands (ev): -11.5709 -11.5709 -10.7992 -10.7992 -10.6603 -10.6603 -10.6584 -10.6584 -10.5859 -10.5859 -10.5853 -10.5853 -1.1855 -1.1855 -1.1165 -1.1165 -0.3999 -0.3999 -0.2631 -0.2631 -0.2111 -0.2111 0.0077 0.0077 0.0131 0.0131 0.6787 0.6787 0.7757 0.7757 0.8894 0.8894 1.0481 1.0481 1.0791 1.0791 1.4133 1.4133 2.2738 2.2738 2.3204 2.3204 2.3324 2.3324 2.8450 2.8450 2.9042 2.9042 3.2187 3.2187 3.3097 3.3097 3.3381 3.3381 3.4189 3.4189 3.5182 3.5182 3.5630 3.5630 4.6646 4.6646 4.6954 4.6954 4.8026 4.8026 4.8958 4.8958 8.2817 8.2817 k = 0.0000 0.0000 0.0000 ( 8787 PWs) bands (ev): -11.5714 -11.5714 -10.7986 -10.7986 -10.6602 -10.6602 -10.6583 -10.6583 -10.5859 -10.5859 -10.5853 -10.5853 -1.1876 -1.1876 -1.1160 -1.1160 -0.3996 -0.3996 -0.2631 -0.2631 -0.2124 -0.2124 0.0086 0.0086 0.0103 0.0103 0.6791 0.6791 0.7762 0.7762 0.8904 0.8904 1.0483 1.0483 1.0792 1.0792 1.4124 1.4124 2.2747 2.2747 2.3217 2.3217 2.3330 2.3330 2.8452 2.8452 2.9088 2.9088 3.2187 3.2187 3.3089 3.3089 3.3382 3.3382 3.4182 3.4182 3.5180 3.5181 3.5627 3.5627 4.6654 4.6654 4.6971 4.6971 4.8014 4.8014 4.8953 4.8953 8.2768 8.2768 k = 0.0000 0.0000 0.0000 ( 8787 PWs) bands (ev): -11.5714 -11.5714 -10.7986 -10.7986 -10.6602 -10.6602 -10.6583 -10.6583 -10.5859 -10.5859 -10.5853 -10.5853 -1.1876 -1.1876 -1.1160 -1.1160 -0.3996 -0.3996 -0.2631 -0.2631 -0.2124 -0.2124 0.0086 0.0086 0.0103 0.0103 0.6791 0.6791 0.7762 0.7762 0.8904 0.8904 1.0483 1.0483 1.0792 1.0792 1.4124 1.4124 2.2747 2.2747 2.3217 2.3217 2.3330 2.3330 2.8452 2.8452 2.9088 2.9088 3.2187 3.2187 3.3089 3.3089 3.3382 3.3382 3.4182 3.4182 3.5180 3.5181 3.5627 3.5627 4.6654 4.6654 4.6971 4.6971 4.8014 4.8014 4.8953 4.8953 8.2768 8.2768 k = 0.0101-0.0076-0.0187 ( 8785 PWs) bands (ev): -11.5708 -11.5708 -10.7984 -10.7984 -10.6607 -10.6607 -10.6588 -10.6588 -10.5860 -10.5860 -10.5854 -10.5854 -1.1869 -1.1869 -1.1169 -1.1169 -0.3984 -0.3984 -0.2628 -0.2628 -0.2138 -0.2138 -0.0160 -0.0160 0.0373 0.0373 0.6791 0.6791 0.7758 0.7758 0.8923 0.8923 1.0490 1.0490 1.0801 1.0801 1.4134 1.4134 2.2728 2.2728 2.3122 2.3122 2.3397 2.3397 2.8415 2.8415 2.9075 2.9075 3.2184 3.2184 3.3098 3.3098 3.3392 3.3392 3.4185 3.4185 3.5186 3.5186 3.5627 3.5627 4.6650 4.6650 4.6968 4.6968 4.8013 4.8013 4.8947 4.8947 8.2818 8.2818 k = 0.0202-0.0152-0.0375 ( 8797 PWs) bands (ev): -11.5691 -11.5691 -10.7976 -10.7976 -10.6623 -10.6623 -10.6599 -10.6599 -10.5862 -10.5862 -10.5855 -10.5855 -1.1850 -1.1850 -1.1196 -1.1196 -0.3950 -0.3950 -0.2623 -0.2623 -0.2175 -0.2175 -0.0385 -0.0385 0.0672 0.0672 0.6790 0.6790 0.7747 0.7747 0.8981 0.8981 1.0512 1.0512 1.0832 1.0832 1.4165 1.4165 2.2664 2.2664 2.2968 2.2968 2.3469 2.3469 2.8306 2.8306 2.9039 2.9039 3.2179 3.2179 3.3123 3.3123 3.3422 3.3422 3.4191 3.4191 3.5202 3.5202 3.5628 3.5628 4.6638 4.6638 4.6959 4.6959 4.8007 4.8007 4.8926 4.8926 8.2966 8.2966 k = 0.0303-0.0227-0.0562 ( 8797 PWs) bands (ev): -11.5662 -11.5662 -10.7963 -10.7963 -10.6654 -10.6654 -10.6616 -10.6616 -10.5867 -10.5867 -10.5858 -10.5858 -1.1818 -1.1818 -1.1239 -1.1239 -0.3903 -0.3903 -0.2625 -0.2625 -0.2217 -0.2217 -0.0579 -0.0579 0.0989 0.0989 0.6785 0.6785 0.7728 0.7728 0.9076 0.9076 1.0539 1.0539 1.0892 1.0892 1.4217 1.4217 2.2537 2.2537 2.2810 2.2810 2.3511 2.3511 2.8126 2.8126 2.8985 2.8985 3.2173 3.2173 3.3155 3.3155 3.3468 3.3468 3.4202 3.4202 3.5228 3.5228 3.5631 3.5631 4.6619 4.6619 4.6945 4.6945 4.7998 4.7998 4.8894 4.8894 8.3210 8.3210 k = 0.0404-0.0303-0.0749 ( 8785 PWs) bands (ev): -11.5622 -11.5622 -10.7945 -10.7945 -10.6697 -10.6697 -10.6636 -10.6636 -10.5873 -10.5873 -10.5862 -10.5862 -1.1774 -1.1774 -1.1294 -1.1294 -0.3855 -0.3855 -0.2658 -0.2658 -0.2229 -0.2229 -0.0736 -0.0736 0.1319 0.1319 0.6773 0.6773 0.7702 0.7702 0.9206 0.9206 1.0567 1.0567 1.0987 1.0987 1.4287 1.4287 2.2331 2.2331 2.2669 2.2669 2.3518 2.3518 2.7885 2.7885 2.8919 2.8919 3.2172 3.2172 3.3188 3.3188 3.3529 3.3529 3.4217 3.4217 3.5263 3.5263 3.5637 3.5637 4.6592 4.6592 4.6927 4.6927 4.7984 4.7984 4.8853 4.8853 8.3548 8.3548 k = 0.0505-0.0379-0.0936 ( 8777 PWs) bands (ev): -11.5571 -11.5571 -10.7923 -10.7923 -10.6752 -10.6752 -10.6662 -10.6662 -10.5881 -10.5881 -10.5867 -10.5867 -1.1717 -1.1717 -1.1358 -1.1358 -0.3818 -0.3818 -0.2738 -0.2738 -0.2188 -0.2188 -0.0849 -0.0849 0.1660 0.1660 0.6752 0.6752 0.7671 0.7671 0.9367 0.9367 1.0592 1.0592 1.1124 1.1124 1.4374 1.4374 2.2056 2.2056 2.2534 2.2534 2.3488 2.3488 2.7598 2.7598 2.8841 2.8841 3.2178 3.2178 3.3216 3.3216 3.3600 3.3600 3.4237 3.4237 3.5302 3.5302 3.5648 3.5648 4.6558 4.6558 4.6903 4.6903 4.7963 4.7963 4.8806 4.8806 8.3974 8.3974 k = 0.0606-0.0455-0.1124 ( 8779 PWs) bands (ev): -11.5508 -11.5508 -10.7895 -10.7895 -10.6818 -10.6818 -10.6693 -10.6693 -10.5892 -10.5892 -10.5874 -10.5874 -1.1650 -1.1650 -1.1426 -1.1426 -0.3803 -0.3803 -0.2853 -0.2853 -0.2111 -0.2111 -0.0903 -0.0903 0.2008 0.2008 0.6719 0.6719 0.7636 0.7636 0.9551 0.9551 1.0617 1.0617 1.1300 1.1300 1.4475 1.4475 2.1725 2.1725 2.2392 2.2392 2.3423 2.3423 2.7279 2.7279 2.8750 2.8750 3.2194 3.2194 3.3235 3.3235 3.3674 3.3674 3.4261 3.4261 3.5343 3.5343 3.5666 3.5666 4.6517 4.6517 4.6875 4.6875 4.7936 4.7936 4.8757 4.8757 8.4483 8.4483 k = 0.0707-0.0530-0.1311 ( 8781 PWs) bands (ev): -11.5435 -11.5435 -10.7863 -10.7863 -10.6893 -10.6893 -10.6728 -10.6728 -10.5906 -10.5906 -10.5883 -10.5883 -1.1576 -1.1576 -1.1490 -1.1490 -0.3815 -0.3815 -0.2981 -0.2981 -0.2035 -0.2035 -0.0874 -0.0874 0.2362 0.2362 0.6670 0.6670 0.7599 0.7599 0.9744 0.9744 1.0651 1.0651 1.1516 1.1516 1.4587 1.4587 2.1342 2.1342 2.2239 2.2239 2.3326 2.3326 2.6944 2.6944 2.8646 2.8646 3.2219 3.2219 3.3245 3.3245 3.3748 3.3748 3.4290 3.4290 3.5381 3.5381 3.5695 3.5695 4.6470 4.6470 4.6844 4.6844 4.7901 4.7901 4.8710 4.8710 8.5068 8.5068 k = 0.0808-0.0606-0.1498 ( 8775 PWs) bands (ev): -11.5351 -11.5351 -10.7827 -10.7827 -10.6978 -10.6978 -10.6768 -10.6768 -10.5922 -10.5922 -10.5893 -10.5893 -1.1577 -1.1577 -1.1466 -1.1466 -0.3854 -0.3854 -0.3106 -0.3106 -0.1995 -0.1995 -0.0743 -0.0743 0.2719 0.2719 0.6605 0.6605 0.7563 0.7563 0.9929 0.9929 1.0707 1.0707 1.1768 1.1768 1.4704 1.4704 2.0909 2.0909 2.2073 2.2073 2.3201 2.3201 2.6606 2.6606 2.8527 2.8527 3.2254 3.2254 3.3245 3.3245 3.3817 3.3817 3.4323 3.4323 3.5414 3.5414 3.5735 3.5735 4.6418 4.6418 4.6810 4.6810 4.7858 4.7858 4.8668 4.8668 8.5723 8.5723 k = 0.0909-0.0682-0.1686 ( 8773 PWs) bands (ev): -11.5256 -11.5256 -10.7787 -10.7787 -10.7071 -10.7071 -10.6813 -10.6813 -10.5942 -10.5942 -10.5906 -10.5906 -1.1636 -1.1636 -1.1368 -1.1368 -0.3919 -0.3919 -0.3220 -0.3220 -0.1995 -0.1995 -0.0515 -0.0515 0.3079 0.3079 0.6523 0.6523 0.7530 0.7530 1.0080 1.0080 1.0804 1.0804 1.2055 1.2055 1.4821 1.4821 2.0429 2.0429 2.1898 2.1898 2.3055 2.3055 2.6273 2.6273 2.8394 2.8394 3.2296 3.2296 3.3237 3.3237 3.3877 3.3877 3.4362 3.4362 3.5442 3.5442 3.5785 3.5785 4.6361 4.6361 4.6776 4.6776 4.7807 4.7807 4.8633 4.8633 8.6438 8.6438 k = 0.1010-0.0758-0.1873 ( 8773 PWs) bands (ev): -11.5152 -11.5152 -10.7743 -10.7743 -10.7172 -10.7172 -10.6861 -10.6861 -10.5965 -10.5965 -10.5920 -10.5920 -1.1690 -1.1690 -1.1256 -1.1256 -0.4003 -0.4003 -0.3318 -0.3318 -0.2020 -0.2020 -0.0216 -0.0216 0.3439 0.3439 0.6421 0.6421 0.7504 0.7504 1.0176 1.0176 1.0957 1.0957 1.2373 1.2373 1.4928 1.4928 1.9909 1.9909 2.1715 2.1715 2.2893 2.2893 2.5952 2.5952 2.8245 2.8245 3.2344 3.2344 3.3221 3.3221 3.3929 3.3929 3.4405 3.4405 3.5465 3.5465 3.5842 3.5842 4.6302 4.6302 4.6741 4.6741 4.7752 4.7752 4.8605 4.8605 8.7206 8.7206 k = 0.1111-0.0833-0.2060 ( 8759 PWs) bands (ev): -11.5037 -11.5037 -10.7698 -10.7698 -10.7279 -10.7279 -10.6913 -10.6913 -10.5992 -10.5992 -10.5935 -10.5935 -1.1735 -1.1735 -1.1133 -1.1133 -0.4101 -0.4101 -0.3400 -0.3400 -0.2053 -0.2053 0.0128 0.0128 0.3797 0.3797 0.6301 0.6301 0.7486 0.7486 1.0224 1.0224 1.1156 1.1156 1.2716 1.2716 1.5012 1.5012 1.9367 1.9367 2.1526 2.1526 2.2724 2.2724 2.5645 2.5645 2.8080 2.8080 3.2395 3.2395 3.3200 3.3200 3.3972 3.3972 3.4451 3.4451 3.5486 3.5486 3.5904 3.5904 4.6242 4.6242 4.6708 4.6708 4.7692 4.7692 4.8583 4.8583 8.8016 8.8016 k = 0.1212-0.0909-0.2247 ( 8755 PWs) bands (ev): -11.4912 -11.4912 -10.7654 -10.7654 -10.7387 -10.7387 -10.6969 -10.6969 -10.6022 -10.6022 -10.5952 -10.5952 -1.1768 -1.1768 -1.1002 -1.1002 -0.4204 -0.4204 -0.3468 -0.3468 -0.2084 -0.2084 0.0499 0.0499 0.4152 0.4152 0.6164 0.6164 0.7481 0.7481 1.0238 1.0238 1.1380 1.1380 1.3078 1.3078 1.5051 1.5051 1.8829 1.8829 2.1334 2.1334 2.2553 2.2553 2.5353 2.5353 2.7897 2.7897 3.2445 3.2445 3.3174 3.3174 3.4008 3.4008 3.4500 3.4500 3.5507 3.5507 3.5966 3.5966 4.6182 4.6182 4.6677 4.6677 4.7631 4.7631 4.8568 4.8568 8.8859 8.8859 k = 0.1313-0.0985-0.2435 ( 8741 PWs) bands (ev): -11.4778 -11.4778 -10.7630 -10.7630 -10.7480 -10.7480 -10.7027 -10.7027 -10.6055 -10.6055 -10.5970 -10.5970 -1.1787 -1.1787 -1.0862 -1.0862 -0.4307 -0.4307 -0.3523 -0.3523 -0.2105 -0.2105 0.0883 0.0883 0.4499 0.4499 0.6012 0.6012 0.7494 0.7494 1.0232 1.0232 1.1611 1.1611 1.3449 1.3449 1.5016 1.5016 1.8336 1.8336 2.1141 2.1141 2.2386 2.2386 2.5075 2.5075 2.7696 2.7696 3.2493 3.2493 3.3145 3.3145 3.4039 3.4039 3.4551 3.4551 3.5528 3.5528 3.6026 3.6026 4.6125 4.6125 4.6650 4.6650 4.7570 4.7570 4.8558 4.8558 8.9722 8.9722 k = 0.1414-0.1061-0.2622 ( 8745 PWs) bands (ev): -11.4635 -11.4635 -10.7690 -10.7690 -10.7491 -10.7491 -10.7088 -10.7088 -10.6092 -10.6092 -10.5989 -10.5989 -1.1791 -1.1791 -1.0714 -1.0714 -0.4404 -0.4404 -0.3567 -0.3567 -0.2112 -0.2112 0.1268 0.1268 0.4827 0.4827 0.5852 0.5852 0.7530 0.7530 1.0212 1.0212 1.1835 1.1835 1.3807 1.3807 1.4879 1.4879 1.7943 1.7943 2.0949 2.0949 2.2228 2.2228 2.4810 2.4810 2.7477 2.7477 3.2535 3.2535 3.3116 3.3116 3.4067 3.4067 3.4602 3.4602 3.5549 3.5549 3.6083 3.6083 4.6072 4.6072 4.6627 4.6627 4.7511 4.7511 4.8552 4.8552 9.0594 9.0594 k = 0.1515-0.1136-0.2809 ( 8731 PWs) bands (ev): -11.4484 -11.4484 -10.7809 -10.7809 -10.7449 -10.7449 -10.7149 -10.7149 -10.6131 -10.6131 -10.6009 -10.6009 -1.1779 -1.1779 -1.0559 -1.0559 -0.4493 -0.4493 -0.3601 -0.3601 -0.2102 -0.2102 0.1644 0.1644 0.5110 0.5110 0.5704 0.5704 0.7599 0.7599 1.0184 1.0184 1.2035 1.2035 1.4058 1.4058 1.4700 1.4700 1.7691 1.7691 2.0759 2.0759 2.2081 2.2081 2.4558 2.4558 2.7240 2.7240 3.2570 3.2570 3.3089 3.3089 3.4093 3.4093 3.4651 3.4651 3.5572 3.5572 3.6135 3.6135 4.6025 4.6025 4.6611 4.6611 4.7455 4.7455 4.8549 4.8549 9.1457 9.1457 k = 0.1616-0.1212-0.2997 ( 8723 PWs) bands (ev): -11.4324 -11.4324 -10.7943 -10.7943 -10.7401 -10.7401 -10.7207 -10.7207 -10.6174 -10.6174 -10.6030 -10.6030 -1.1751 -1.1751 -1.0399 -1.0399 -0.4571 -0.4571 -0.3623 -0.3623 -0.2075 -0.2075 0.2003 0.2003 0.5232 0.5232 0.5673 0.5673 0.7714 0.7714 1.0146 1.0146 1.2188 1.2188 1.3896 1.3896 1.4808 1.4808 1.7583 1.7583 2.0571 2.0571 2.1949 2.1949 2.4320 2.4320 2.6986 2.6986 3.2594 3.2594 3.3064 3.3064 3.4120 3.4120 3.4700 3.4700 3.5595 3.5595 3.6181 3.6181 4.5983 4.5983 4.6600 4.6600 4.7402 4.7402 4.8548 4.8548 9.2287 9.2287 k = 0.1717-0.1288-0.3184 ( 8719 PWs) bands (ev): -11.4157 -11.4157 -10.8083 -10.8083 -10.7374 -10.7374 -10.7241 -10.7241 -10.6219 -10.6219 -10.6052 -10.6052 -1.1707 -1.1707 -1.0233 -1.0233 -0.4637 -0.4637 -0.3635 -0.3635 -0.2028 -0.2028 0.2336 0.2336 0.5113 0.5113 0.5829 0.5829 0.7887 0.7887 1.0100 1.0100 1.2224 1.2224 1.3508 1.3508 1.5116 1.5116 1.7584 1.7584 2.0387 2.0387 2.1832 2.1832 2.4095 2.4095 2.6716 2.6716 3.2607 3.2607 3.3044 3.3044 3.4148 3.4148 3.4748 3.4748 3.5618 3.5618 3.6221 3.6221 4.5947 4.5947 4.6597 4.6597 4.7355 4.7355 4.8549 4.8549 9.3040 9.3040 k = 0.1818-0.1364-0.3371 ( 8719 PWs) bands (ev): -11.3982 -11.3982 -10.8228 -10.8228 -10.7402 -10.7402 -10.7220 -10.7220 -10.6266 -10.6266 -10.6073 -10.6073 -1.1645 -1.1645 -1.0063 -1.0063 -0.4691 -0.4691 -0.3636 -0.3636 -0.1962 -0.1962 0.2636 0.2636 0.4913 0.4913 0.6007 0.6007 0.8124 0.8124 1.0038 1.0038 1.2005 1.2005 1.3261 1.3261 1.5440 1.5440 1.7659 1.7659 2.0206 2.0206 2.1733 2.1733 2.3885 2.3885 2.6431 2.6431 3.2611 3.2611 3.3028 3.3028 3.4177 3.4177 3.4794 3.4794 3.5640 3.5640 3.6255 3.6255 4.5914 4.5914 4.6603 4.6603 4.7314 4.7314 4.8551 4.8551 9.3578 9.3578 k = 0.1919-0.1440-0.3558 ( 8717 PWs) bands (ev): -11.3802 -11.3802 -10.8376 -10.8376 -10.7462 -10.7462 -10.7168 -10.7168 -10.6316 -10.6316 -10.6094 -10.6094 -1.1567 -1.1567 -0.9890 -0.9890 -0.4731 -0.4731 -0.3626 -0.3626 -0.1876 -0.1876 0.2892 0.2892 0.4695 0.4695 0.6150 0.6150 0.8416 0.8416 0.9946 0.9946 1.1540 1.1540 1.3235 1.3235 1.5741 1.5741 1.7781 1.7781 2.0031 2.0031 2.1650 2.1650 2.3692 2.3692 2.6135 2.6135 3.2608 3.2608 3.3015 3.3015 3.4209 3.4209 3.4839 3.4839 3.5661 3.5661 3.6283 3.6283 4.5883 4.5883 4.6617 4.6617 4.7279 4.7279 4.8554 4.8554 9.3682 9.3682 k = 0.2020-0.1515-0.3746 ( 8716 PWs) bands (ev): -11.3615 -11.3615 -10.8527 -10.8527 -10.7531 -10.7531 -10.7108 -10.7108 -10.6367 -10.6367 -10.6114 -10.6114 -1.1473 -1.1473 -0.9716 -0.9716 -0.4759 -0.4759 -0.3604 -0.3604 -0.1771 -0.1771 0.3087 0.3087 0.4486 0.4486 0.6257 0.6257 0.8730 0.8730 0.9783 0.9783 1.1049 1.1049 1.3304 1.3304 1.6004 1.6004 1.7932 1.7932 1.9862 1.9862 2.1583 2.1583 2.3515 2.3515 2.5830 2.5830 3.2600 3.2600 3.3005 3.3005 3.4241 3.4241 3.4881 3.4881 3.5681 3.5681 3.6306 3.6306 4.5852 4.5852 4.6641 4.6641 4.7251 4.7251 4.8557 4.8557 9.3516 9.3516 k = 0.2121-0.1591-0.3933 ( 8720 PWs) bands (ev): -11.3423 -11.3423 -10.8680 -10.8680 -10.7603 -10.7603 -10.7047 -10.7047 -10.6420 -10.6420 -10.6133 -10.6133 -1.1363 -1.1363 -0.9540 -0.9540 -0.4774 -0.4774 -0.3570 -0.3570 -0.1649 -0.1649 0.3192 0.3192 0.4319 0.4319 0.6334 0.6334 0.8942 0.8942 0.9548 0.9548 1.0734 1.0734 1.3396 1.3396 1.6220 1.6220 1.8097 1.8097 1.9704 1.9704 2.1530 2.1530 2.3357 2.3357 2.5520 2.5520 3.2592 3.2592 3.2997 3.2997 3.4273 3.4273 3.4920 3.4920 3.5698 3.5698 3.6324 3.6324 4.5820 4.5820 4.6674 4.6674 4.7230 4.7230 4.8562 4.8562 9.3285 9.3285 k = 0.2222-0.1667-0.4120 ( 8722 PWs) bands (ev): -11.3226 -11.3226 -10.8834 -10.8834 -10.7675 -10.7675 -10.6988 -10.6988 -10.6474 -10.6474 -10.6148 -10.6148 -1.1238 -1.1238 -0.9365 -0.9365 -0.4777 -0.4777 -0.3525 -0.3525 -0.1511 -0.1511 0.3165 0.3165 0.4235 0.4235 0.6392 0.6392 0.8671 0.8671 0.9564 0.9564 1.0677 1.0677 1.3492 1.3492 1.6384 1.6384 1.8261 1.8261 1.9561 1.9561 2.1487 2.1487 2.3217 2.3217 2.5207 2.5207 3.2586 3.2586 3.2990 3.2990 3.4304 3.4304 3.4955 3.4955 3.5714 3.5714 3.6338 3.6338 4.5784 4.5784 4.6715 4.6715 4.7217 4.7217 4.8567 4.8567 9.3048 9.3048 k = 0.2323-0.1743-0.4308 ( 8732 PWs) bands (ev): -11.3025 -11.3025 -10.8988 -10.8988 -10.7748 -10.7748 -10.6932 -10.6932 -10.6529 -10.6529 -10.6161 -10.6161 -1.1099 -1.1099 -0.9191 -0.9191 -0.4767 -0.4767 -0.3469 -0.3469 -0.1360 -0.1360 0.3005 0.3005 0.4240 0.4240 0.6431 0.6431 0.8107 0.8107 0.9689 0.9689 1.0840 1.0840 1.3589 1.3589 1.6497 1.6497 1.8407 1.8407 1.9443 1.9443 2.1452 2.1452 2.3097 2.3097 2.4897 2.4897 3.2586 3.2586 3.2986 3.2986 3.4331 3.4331 3.4985 3.4985 3.5729 3.5729 3.6349 3.6349 4.5744 4.5744 4.6762 4.6762 4.7211 4.7211 4.8572 4.8572 9.2824 9.2824 k = 0.2424-0.1818-0.4495 ( 8732 PWs) bands (ev): -11.2822 -11.2822 -10.9143 -10.9143 -10.7821 -10.7821 -10.6882 -10.6882 -10.6585 -10.6585 -10.6168 -10.6168 -1.0947 -1.0947 -0.9022 -0.9022 -0.4747 -0.4747 -0.3402 -0.3402 -0.1202 -0.1202 0.2761 0.2761 0.4290 0.4290 0.6444 0.6444 0.7519 0.7519 0.9742 0.9742 1.1145 1.1145 1.3692 1.3692 1.6558 1.6558 1.8515 1.8515 1.9359 1.9359 2.1421 2.1421 2.2995 2.2995 2.4595 2.4595 3.2592 3.2592 3.2985 3.2985 3.4355 3.4355 3.5010 3.5010 3.5743 3.5743 3.6357 3.6357 4.5699 4.5699 4.6813 4.6813 4.7213 4.7213 4.8578 4.8578 9.2621 9.2621 k = 0.2525-0.1894-0.4682 ( 8728 PWs) bands (ev): -11.2616 -11.2616 -10.9297 -10.9297 -10.7892 -10.7892 -10.6839 -10.6839 -10.6642 -10.6642 -10.6170 -10.6170 -1.0783 -1.0783 -0.8858 -0.8858 -0.4716 -0.4716 -0.3325 -0.3325 -0.1044 -0.1044 0.2479 0.2479 0.4347 0.4347 0.6376 0.6376 0.7028 0.7028 0.9747 0.9747 1.1501 1.1501 1.3810 1.3810 1.6570 1.6570 1.8569 1.8569 1.9320 1.9320 2.1390 2.1390 2.2908 2.2908 2.4305 2.4305 3.2606 3.2606 3.2988 3.2988 3.4371 3.4371 3.5027 3.5027 3.5757 3.5757 3.6365 3.6365 4.5650 4.5650 4.6864 4.6864 4.7221 4.7221 4.8584 4.8584 9.2446 9.2446 k = 0.2626-0.1970-0.4869 ( 8734 PWs) bands (ev): -11.2409 -11.2409 -10.9449 -10.9449 -10.7961 -10.7961 -10.6806 -10.6806 -10.6698 -10.6698 -10.6164 -10.6164 -1.0611 -1.0611 -0.8703 -0.8703 -0.4675 -0.4675 -0.3239 -0.3239 -0.0897 -0.0897 0.2192 0.2192 0.4388 0.4388 0.6085 0.6085 0.6803 0.6803 0.9729 0.9729 1.1850 1.1850 1.3952 1.3952 1.6541 1.6541 1.8572 1.8572 1.9318 1.9318 2.1354 2.1354 2.2835 2.2835 2.4033 2.4033 3.2627 3.2627 3.2998 3.2998 3.4381 3.4381 3.5037 3.5037 3.5772 3.5772 3.6372 3.6372 4.5598 4.5598 4.6912 4.6912 4.7236 4.7236 4.8591 4.8591 9.2304 9.2304 k = 0.2727-0.2046-0.5057 ( 8736 PWs) bands (ev): -11.2201 -11.2201 -10.9600 -10.9600 -10.8028 -10.8028 -10.6788 -10.6788 -10.6748 -10.6748 -10.6149 -10.6149 -1.0430 -1.0430 -0.8559 -0.8559 -0.4626 -0.4626 -0.3145 -0.3145 -0.0779 -0.0779 0.1930 0.1930 0.4394 0.4394 0.5674 0.5674 0.6769 0.6769 0.9701 0.9701 1.2154 1.2154 1.4124 1.4124 1.6476 1.6476 1.8546 1.8546 1.9330 1.9330 2.1308 2.1308 2.2771 2.2771 2.3788 2.3788 3.2655 3.2655 3.3015 3.3015 3.4381 3.4381 3.5040 3.5040 3.5787 3.5787 3.6381 3.6381 4.5542 4.5542 4.6952 4.6952 4.7258 4.7258 4.8598 4.8598 9.2198 9.2198 k = 0.2828-0.2121-0.5244 ( 8738 PWs) bands (ev): -11.1995 -11.1995 -10.9749 -10.9749 -10.8091 -10.8091 -10.6819 -10.6819 -10.6759 -10.6759 -10.6127 -10.6127 -1.0246 -1.0246 -0.8431 -0.8431 -0.4568 -0.4568 -0.3046 -0.3046 -0.0711 -0.0711 0.1725 0.1725 0.4335 0.4335 0.5320 0.5320 0.6781 0.6781 0.9668 0.9668 1.2398 1.2398 1.4320 1.4320 1.6389 1.6389 1.8513 1.8513 1.9332 1.9332 2.1246 2.1246 2.2711 2.2711 2.3576 2.3576 3.2687 3.2687 3.3041 3.3041 3.4372 3.4372 3.5037 3.5037 3.5803 3.5803 3.6391 3.6391 4.5484 4.5484 4.6983 4.6983 4.7285 4.7285 4.8605 4.8605 9.2133 9.2133 k = 0.2929-0.2197-0.5431 ( 8742 PWs) bands (ev): -11.1790 -11.1790 -10.9894 -10.9894 -10.8151 -10.8151 -10.6873 -10.6873 -10.6756 -10.6756 -10.6098 -10.6098 -1.0060 -1.0060 -0.8320 -0.8320 -0.4503 -0.4503 -0.2942 -0.2942 -0.0716 -0.0716 0.1608 0.1608 0.4179 0.4179 0.5099 0.5099 0.6804 0.6804 0.9633 0.9633 1.2581 1.2581 1.4515 1.4515 1.6293 1.6293 1.8493 1.8493 1.9313 1.9313 2.1164 2.1164 2.2651 2.2651 2.3403 2.3403 3.2720 3.2720 3.3076 3.3076 3.4353 3.4353 3.5028 3.5028 3.5818 3.5818 3.6405 3.6405 4.5426 4.5426 4.7002 4.7002 4.7316 4.7316 4.8611 4.8611 9.2110 9.2110 k = 0.3030-0.2273-0.5619 ( 8754 PWs) bands (ev): -11.1589 -11.1589 -11.0037 -11.0037 -10.8206 -10.8206 -10.6928 -10.6928 -10.6758 -10.6758 -10.6064 -10.6064 -0.9877 -0.9877 -0.8233 -0.8233 -0.4431 -0.4431 -0.2838 -0.2838 -0.0795 -0.0795 0.1587 0.1587 0.3947 0.3947 0.5006 0.5006 0.6827 0.6827 0.9598 0.9598 1.2712 1.2712 1.4672 1.4672 1.6204 1.6204 1.8499 1.8499 1.9265 1.9265 2.1064 2.1064 2.2589 2.2589 2.3273 2.3273 3.2752 3.2752 3.3120 3.3120 3.4325 3.4325 3.5016 3.5016 3.5830 3.5830 3.6423 3.6423 4.5367 4.5367 4.7011 4.7011 4.7348 4.7348 4.8615 4.8615 9.2132 9.2132 k = 0.3131-0.2349-0.5806 ( 8752 PWs) bands (ev): -11.1393 -11.1393 -11.0175 -11.0175 -10.8256 -10.8256 -10.6982 -10.6982 -10.6766 -10.6766 -10.6027 -10.6027 -0.9703 -0.9703 -0.8169 -0.8169 -0.4352 -0.4352 -0.2736 -0.2736 -0.0923 -0.0923 0.1641 0.1641 0.3708 0.3708 0.4983 0.4983 0.6847 0.6847 0.9563 0.9563 1.2801 1.2801 1.4758 1.4758 1.6133 1.6133 1.8541 1.8541 1.9189 1.9189 2.0949 2.0949 2.2529 2.2529 2.3179 2.3179 3.2780 3.2780 3.3170 3.3170 3.4291 3.4291 3.5001 3.5001 3.5839 3.5839 3.6447 3.6447 4.5308 4.5308 4.7010 4.7010 4.7378 4.7378 4.8616 4.8616 9.2199 9.2199 k = 0.3232-0.2424-0.5993 ( 8754 PWs) bands (ev): -11.1203 -11.1203 -11.0308 -11.0308 -10.8299 -10.8299 -10.7035 -10.7035 -10.6779 -10.6779 -10.5988 -10.5988 -0.9548 -0.9548 -0.8130 -0.8130 -0.4266 -0.4266 -0.2642 -0.2642 -0.1064 -0.1064 0.1728 0.1728 0.3519 0.3519 0.4994 0.4994 0.6863 0.6863 0.9531 0.9531 1.2854 1.2854 1.4760 1.4760 1.6078 1.6078 1.8608 1.8608 1.9096 1.9096 2.0830 2.0830 2.2477 2.2477 2.3113 2.3113 3.2802 3.2802 3.3221 3.3221 3.4254 3.4254 3.4986 3.4986 3.5843 3.5843 3.6477 3.6477 4.5252 4.5252 4.7000 4.7000 4.7405 4.7405 4.8613 4.8613 9.2312 9.2312 k = 0.3333-0.2500-0.6180 ( 8770 PWs) bands (ev): -11.1022 -11.1022 -11.0437 -11.0437 -10.8334 -10.8334 -10.7087 -10.7087 -10.6795 -10.6795 -10.5949 -10.5949 -0.9425 -0.9425 -0.8107 -0.8107 -0.4171 -0.4171 -0.2558 -0.2558 -0.1185 -0.1185 0.1799 0.1799 0.3420 0.3420 0.5025 0.5025 0.6875 0.6875 0.9501 0.9501 1.2872 1.2872 1.4694 1.4694 1.6023 1.6023 1.8636 1.8636 1.9037 1.9037 2.0722 2.0722 2.2440 2.2440 2.3067 2.3067 3.2815 3.2815 3.3267 3.3267 3.4220 3.4220 3.4971 3.4971 3.5843 3.5843 3.6512 3.6512 4.5197 4.5197 4.6981 4.6981 4.7427 4.7427 4.8603 4.8603 9.2469 9.2469 k = 0.3434-0.2576-0.6368 ( 8752 PWs) bands (ev): -11.0852 -11.0852 -11.0559 -11.0559 -10.8360 -10.8360 -10.7137 -10.7137 -10.6812 -10.6812 -10.5912 -10.5912 -0.9351 -0.9351 -0.8087 -0.8087 -0.4067 -0.4067 -0.2487 -0.2487 -0.1268 -0.1268 0.1820 0.1820 0.3435 0.3435 0.5070 0.5070 0.6883 0.6883 0.9477 0.9477 1.2853 1.2853 1.4585 1.4585 1.5956 1.5956 1.8531 1.8531 1.9080 1.9080 2.0645 2.0645 2.2425 2.2425 2.3032 2.3032 3.2818 3.2818 3.3301 3.3301 3.4197 3.4197 3.4959 3.4959 3.5838 3.5838 3.6552 3.6552 4.5146 4.5146 4.6954 4.6954 4.7446 4.7446 4.8588 4.8588 9.2666 9.2666 k = 0.3535-0.2652-0.6555 ( 8750 PWs) bands (ev): -11.0721 -11.0721 -11.0648 -11.0648 -10.8375 -10.8375 -10.7186 -10.7186 -10.6831 -10.6831 -10.5876 -10.5876 -0.9346 -0.9346 -0.8050 -0.8050 -0.3953 -0.3953 -0.2428 -0.2428 -0.1309 -0.1309 0.1788 0.1788 0.3557 0.3557 0.5129 0.5129 0.6890 0.6890 0.9457 0.9457 1.2791 1.2791 1.4454 1.4454 1.5877 1.5877 1.8325 1.8325 1.9156 1.9156 2.0620 2.0620 2.2437 2.2437 2.3009 2.3009 3.2808 3.2808 3.3314 3.3314 3.4188 3.4188 3.4949 3.4949 3.5830 3.5830 3.6595 3.6595 4.5099 4.5099 4.6919 4.6919 4.7459 4.7459 4.8564 4.8564 9.2896 9.2896 k = 0.3636-0.2727-0.6742 ( 8754 PWs) bands (ev): -11.0799 -11.0799 -11.0537 -11.0537 -10.8379 -10.8379 -10.7232 -10.7232 -10.6851 -10.6851 -10.5844 -10.5844 -0.9417 -0.9417 -0.7985 -0.7985 -0.3828 -0.3828 -0.2376 -0.2376 -0.1315 -0.1315 0.1729 0.1729 0.3751 0.3751 0.5203 0.5203 0.6899 0.6899 0.9445 0.9445 1.2683 1.2683 1.4310 1.4310 1.5797 1.5797 1.8069 1.8069 1.9188 1.9188 2.0654 2.0654 2.2474 2.2474 2.3003 2.3003 3.2781 3.2781 3.3308 3.3308 3.4196 3.4196 3.4943 3.4943 3.5818 3.5818 3.6641 3.6641 4.5056 4.5056 4.6878 4.6878 4.7470 4.7470 4.8532 4.8532 9.3148 9.3148 k = 0.6364-0.0228-0.5057 ( 8754 PWs) bands (ev): -11.0800 -11.0800 -11.0536 -11.0536 -10.8377 -10.8377 -10.7234 -10.7234 -10.6850 -10.6850 -10.5845 -10.5845 -0.9418 -0.9418 -0.7985 -0.7985 -0.3828 -0.3828 -0.2376 -0.2376 -0.1315 -0.1315 0.1729 0.1729 0.3751 0.3751 0.5203 0.5203 0.6899 0.6899 0.9446 0.9446 1.2685 1.2685 1.4309 1.4309 1.5795 1.5795 1.8069 1.8069 1.9189 1.9189 2.0653 2.0653 2.2474 2.2474 2.3003 2.3003 3.2781 3.2781 3.3308 3.3308 3.4196 3.4196 3.4944 3.4944 3.5819 3.5819 3.6641 3.6641 4.5056 4.5056 4.6878 4.6878 4.7470 4.7470 4.8532 4.8532 9.3148 9.3148 k = 0.6266-0.0033-0.5057 ( 8754 PWs) bands (ev): -11.0900 -11.0900 -11.0413 -11.0413 -10.8369 -10.8369 -10.7277 -10.7277 -10.6869 -10.6869 -10.5817 -10.5817 -0.9551 -0.9551 -0.7897 -0.7897 -0.3699 -0.3699 -0.2327 -0.2327 -0.1299 -0.1299 0.1672 0.1672 0.3975 0.3975 0.5290 0.5290 0.6913 0.6913 0.9442 0.9442 1.2538 1.2538 1.4156 1.4156 1.5729 1.5729 1.7794 1.7794 1.9162 1.9162 2.0728 2.0728 2.2523 2.2523 2.3030 2.3030 3.2737 3.2737 3.3286 3.3286 3.4216 3.4216 3.4945 3.4945 3.5806 3.5806 3.6686 3.6686 4.5019 4.5019 4.6833 4.6833 4.7477 4.7477 4.8494 4.8494 9.3397 9.3397 k = 0.6169 0.0162-0.5057 ( 8756 PWs) bands (ev): -11.0995 -11.0995 -11.0304 -11.0304 -10.8348 -10.8348 -10.7317 -10.7317 -10.6887 -10.6887 -10.5793 -10.5793 -0.9731 -0.9731 -0.7792 -0.7792 -0.3564 -0.3564 -0.2275 -0.2275 -0.1276 -0.1276 0.1632 0.1632 0.4209 0.4209 0.5396 0.5396 0.6937 0.6937 0.9446 0.9446 1.2356 1.2356 1.3981 1.3981 1.5681 1.5681 1.7505 1.7505 1.9089 1.9089 2.0818 2.0818 2.2559 2.2559 2.3117 2.3117 3.2673 3.2673 3.3254 3.3254 3.4242 3.4242 3.4954 3.4954 3.5791 3.5791 3.6732 3.6732 4.4988 4.4988 4.6783 4.6783 4.7482 4.7482 4.8448 4.8448 9.3630 9.3630 k = 0.6071 0.0357-0.5057 ( 8750 PWs) bands (ev): -11.1083 -11.1083 -11.0212 -11.0212 -10.8315 -10.8315 -10.7356 -10.7356 -10.6905 -10.6905 -10.5773 -10.5773 -0.9940 -0.9940 -0.7680 -0.7680 -0.3427 -0.3427 -0.2220 -0.2220 -0.1252 -0.1252 0.1619 0.1619 0.4430 0.4430 0.5525 0.5525 0.6977 0.6977 0.9459 0.9459 1.2145 1.2145 1.3781 1.3781 1.5652 1.5652 1.7214 1.7214 1.8987 1.8987 2.0901 2.0901 2.2565 2.2565 2.3278 2.3278 3.2588 3.2588 3.3219 3.3219 3.4269 3.4269 3.4972 3.4972 3.5776 3.5776 3.6777 3.6777 4.4961 4.4961 4.6729 4.6729 4.7485 4.7485 4.8395 4.8395 9.3827 9.3827 k = 0.5974 0.0552-0.5057 ( 8750 PWs) bands (ev): -11.1166 -11.1166 -11.0135 -11.0135 -10.8271 -10.8271 -10.7392 -10.7392 -10.6922 -10.6922 -10.5756 -10.5756 -1.0163 -1.0163 -0.7569 -0.7569 -0.3291 -0.3291 -0.2160 -0.2160 -0.1233 -0.1233 0.1636 0.1636 0.4623 0.4623 0.5682 0.5682 0.7039 0.7039 0.9481 0.9481 1.1913 1.1913 1.3555 1.3555 1.5629 1.5629 1.6939 1.6939 1.8867 1.8867 2.0966 2.0966 2.2544 2.2544 2.3499 2.3499 3.2485 3.2485 3.3184 3.3184 3.4291 3.4291 3.4999 3.4999 3.5759 3.5759 3.6821 3.6821 4.4940 4.4940 4.6672 4.6672 4.7488 4.7488 4.8337 4.8337 9.3971 9.3971 k = 0.5877 0.0746-0.5057 ( 8748 PWs) bands (ev): -11.1241 -11.1241 -11.0074 -11.0074 -10.8218 -10.8218 -10.7427 -10.7427 -10.6938 -10.6938 -10.5743 -10.5743 -1.0390 -1.0390 -0.7462 -0.7462 -0.3161 -0.3161 -0.2097 -0.2097 -0.1222 -0.1222 0.1681 0.1681 0.4775 0.4775 0.5866 0.5866 0.7128 0.7128 0.9511 0.9511 1.1667 1.1667 1.3306 1.3306 1.5586 1.5586 1.6706 1.6706 1.8738 1.8738 2.1013 2.1013 2.2508 2.2508 2.3758 2.3758 3.2367 3.2367 3.3150 3.3150 3.4306 3.4306 3.5036 3.5036 3.5742 3.5742 3.6862 3.6862 4.4925 4.4925 4.6614 4.6614 4.7491 4.7491 4.8275 4.8275 9.4060 9.4060 k = 0.5779 0.0941-0.5057 ( 8756 PWs) bands (ev): -11.1308 -11.1308 -11.0026 -11.0026 -10.8158 -10.8158 -10.7459 -10.7459 -10.6952 -10.6952 -10.5734 -10.5734 -1.0610 -1.0610 -0.7364 -0.7364 -0.3041 -0.3041 -0.2033 -0.2033 -0.1217 -0.1217 0.1749 0.1749 0.4886 0.4886 0.6073 0.6073 0.7249 0.7249 0.9547 0.9547 1.1416 1.1416 1.3041 1.3041 1.5487 1.5487 1.6552 1.6552 1.8607 1.8607 2.1045 2.1045 2.2465 2.2465 2.4034 2.4034 3.2238 3.2238 3.3118 3.3118 3.4315 3.4315 3.5078 3.5078 3.5723 3.5723 3.6900 3.6900 4.4915 4.4915 4.6555 4.6555 4.7494 4.7494 4.8211 4.8211 9.4101 9.4101 k = 0.5682 0.1136-0.5057 ( 8746 PWs) bands (ev): -11.1369 -11.1369 -10.9989 -10.9989 -10.8093 -10.8093 -10.7489 -10.7489 -10.6966 -10.6966 -10.5728 -10.5728 -1.0817 -1.0817 -0.7275 -0.7275 -0.2936 -0.2936 -0.1967 -0.1967 -0.1216 -0.1216 0.1836 0.1836 0.4958 0.4958 0.6295 0.6295 0.7400 0.7400 0.9586 0.9586 1.1168 1.1168 1.2766 1.2766 1.5316 1.5316 1.6493 1.6493 1.8476 1.8476 2.1065 2.1065 2.2419 2.2419 2.4312 2.4312 3.2105 3.2105 3.3088 3.3088 3.4319 3.4319 3.5126 3.5126 3.5704 3.5704 3.6935 3.6935 4.4909 4.4909 4.6498 4.6498 4.7498 4.7498 4.8147 4.8147 9.4107 9.4107 k = 0.5584 0.1331-0.5057 ( 8742 PWs) bands (ev): -11.1421 -11.1421 -10.9963 -10.9963 -10.8028 -10.8028 -10.7517 -10.7517 -10.6977 -10.6977 -10.5725 -10.5725 -1.1006 -1.1006 -0.7196 -0.7196 -0.2847 -0.2847 -0.1902 -0.1902 -0.1218 -0.1218 0.1932 0.1932 0.5000 0.5000 0.6526 0.6526 0.7573 0.7573 0.9620 0.9620 1.0933 1.0933 1.2488 1.2488 1.5093 1.5093 1.6508 1.6508 1.8348 1.8348 2.1078 2.1078 2.2373 2.2373 2.4580 2.4580 3.1971 3.1971 3.3061 3.3061 3.4320 3.4320 3.5176 3.5176 3.5683 3.5683 3.6966 3.6966 4.4908 4.4908 4.6443 4.6443 4.7503 4.7503 4.8084 4.8084 9.4092 9.4092 k = 0.5487 0.1526-0.5057 ( 8746 PWs) bands (ev): -11.1466 -11.1466 -10.9943 -10.9943 -10.7964 -10.7964 -10.7544 -10.7544 -10.6987 -10.6987 -10.5723 -10.5723 -1.1172 -1.1172 -0.7129 -0.7129 -0.2777 -0.2777 -0.1838 -0.1838 -0.1221 -0.1221 0.2030 0.2030 0.5019 0.5019 0.6762 0.6762 0.7753 0.7753 0.9638 0.9638 1.0729 1.0729 1.2215 1.2215 1.4855 1.4855 1.6566 1.6566 1.8225 1.8225 2.1085 2.1085 2.2330 2.2330 2.4827 2.4827 3.1843 3.1843 3.3036 3.3036 3.4317 3.4317 3.5225 3.5225 3.5661 3.5661 3.6992 3.6992 4.4910 4.4910 4.6391 4.6391 4.7510 4.7510 4.8025 4.8025 9.4066 9.4066 k = 0.5390 0.1721-0.5057 ( 8742 PWs) bands (ev): -11.1503 -11.1503 -10.9930 -10.9930 -10.7903 -10.7903 -10.7570 -10.7570 -10.6995 -10.6995 -10.5724 -10.5724 -1.1311 -1.1311 -0.7075 -0.7075 -0.2725 -0.2725 -0.1778 -0.1778 -0.1225 -0.1225 0.2123 0.2123 0.5023 0.5023 0.7002 0.7002 0.7917 0.7917 0.9630 0.9630 1.0575 1.0575 1.1956 1.1956 1.4626 1.4626 1.6642 1.6642 1.8111 1.8111 2.1089 2.1089 2.2292 2.2292 2.5045 2.5045 3.1727 3.1727 3.3015 3.3015 3.4314 3.4314 3.5273 3.5273 3.5638 3.5638 3.7014 3.7014 4.4914 4.4914 4.6346 4.6346 4.7517 4.7517 4.7972 4.7972 9.4036 9.4036 k = 0.5292 0.1915-0.5057 ( 8730 PWs) bands (ev): -11.1532 -11.1532 -10.9920 -10.9920 -10.7849 -10.7849 -10.7595 -10.7595 -10.7002 -10.7002 -10.5725 -10.5725 -1.1422 -1.1422 -0.7032 -0.7032 -0.2688 -0.2688 -0.1725 -0.1725 -0.1229 -0.1229 0.2203 0.2203 0.5019 0.5019 0.7243 0.7243 0.8039 0.8039 0.9593 0.9593 1.0484 1.0484 1.1723 1.1723 1.4427 1.4427 1.6722 1.6722 1.8010 1.8010 2.1091 2.1091 2.2261 2.2261 2.5225 2.5225 3.1628 3.1628 3.2998 3.2998 3.4311 3.4311 3.5317 3.5317 3.5614 3.5614 3.7032 3.7032 4.4920 4.4920 4.6308 4.6308 4.7525 4.7525 4.7926 4.7926 9.4008 9.4008 k = 0.5195 0.2110-0.5057 ( 8740 PWs) bands (ev): -11.1552 -11.1552 -10.9915 -10.9915 -10.7802 -10.7802 -10.7619 -10.7619 -10.7007 -10.7007 -10.5726 -10.5726 -1.1502 -1.1502 -0.7001 -0.7001 -0.2664 -0.2664 -0.1683 -0.1683 -0.1233 -0.1233 0.2265 0.2265 0.5011 0.5011 0.7478 0.7478 0.8086 0.8086 0.9550 0.9550 1.0447 1.0447 1.1531 1.1531 1.4273 1.4273 1.6793 1.6793 1.7927 1.7927 2.1092 2.1092 2.2237 2.2237 2.5359 2.5359 3.1552 3.1552 3.2985 3.2985 3.4308 3.4308 3.5355 3.5355 3.5591 3.5591 3.7044 3.7044 4.4924 4.4924 4.6280 4.6280 4.7532 4.7532 4.7891 4.7891 9.3985 9.3985 k = 0.5097 0.2305-0.5057 ( 8738 PWs) bands (ev): -11.1565 -11.1565 -10.9911 -10.9911 -10.7767 -10.7767 -10.7640 -10.7640 -10.7009 -10.7009 -10.5727 -10.5727 -1.1551 -1.1551 -0.6983 -0.6983 -0.2650 -0.2650 -0.1656 -0.1656 -0.1236 -0.1236 0.2305 0.2305 0.5004 0.5004 0.7694 0.7694 0.8043 0.8043 0.9523 0.9523 1.0440 1.0440 1.1401 1.1401 1.4175 1.4175 1.6842 1.6842 1.7871 1.7871 2.1093 2.1093 2.2222 2.2222 2.5443 2.5443 3.1503 3.1503 3.2978 3.2978 3.4306 3.4306 3.5383 3.5383 3.5572 3.5572 3.7051 3.7051 4.4928 4.4928 4.6263 4.6263 4.7538 4.7538 4.7868 4.7868 9.3971 9.3971 k = 0.5000 0.2500-0.5057 ( 8746 PWs) bands (ev): -11.1569 -11.1569 -10.9910 -10.9910 -10.7753 -10.7753 -10.7649 -10.7649 -10.7010 -10.7010 -10.5727 -10.5727 -1.1568 -1.1568 -0.6977 -0.6977 -0.2646 -0.2646 -0.1647 -0.1647 -0.1237 -0.1237 0.2318 0.2318 0.5002 0.5002 0.7832 0.7832 0.7963 0.7963 0.9516 0.9516 1.0440 1.0440 1.1354 1.1354 1.4141 1.4141 1.6860 1.6860 1.7851 1.7851 2.1093 2.1093 2.2218 2.2218 2.5471 2.5471 3.1487 3.1487 3.2975 3.2975 3.4305 3.4305 3.5394 3.5394 3.5564 3.5564 3.7054 3.7054 4.4929 4.4929 4.6257 4.6257 4.7540 4.7540 4.7860 4.7860 9.3966 9.3966 k = 0.5000 0.2500-0.5057 ( 8746 PWs) bands (ev): -11.1569 -11.1569 -10.9910 -10.9910 -10.7753 -10.7753 -10.7649 -10.7649 -10.7010 -10.7010 -10.5727 -10.5727 -1.1568 -1.1568 -0.6977 -0.6977 -0.2646 -0.2646 -0.1647 -0.1647 -0.1237 -0.1237 0.2318 0.2318 0.5002 0.5002 0.7832 0.7832 0.7963 0.7963 0.9516 0.9516 1.0440 1.0440 1.1354 1.1354 1.4141 1.4141 1.6860 1.6860 1.7851 1.7851 2.1093 2.1093 2.2218 2.2218 2.5471 2.5471 3.1487 3.1487 3.2975 3.2975 3.4305 3.4305 3.5394 3.5394 3.5564 3.5564 3.7054 3.7054 4.4929 4.4929 4.6257 4.6257 4.7540 4.7540 4.7860 4.7860 9.3966 9.3966 k = 0.5136 0.2568-0.4888 ( 8742 PWs) bands (ev): -11.1570 -11.1570 -10.9908 -10.9908 -10.7751 -10.7751 -10.7674 -10.7674 -10.6987 -10.6987 -10.5728 -10.5728 -1.1571 -1.1571 -0.6967 -0.6967 -0.2649 -0.2649 -0.1664 -0.1664 -0.1213 -0.1213 0.2319 0.2319 0.4976 0.4976 0.7672 0.7672 0.8127 0.8127 0.9488 0.9488 1.0458 1.0458 1.1376 1.1376 1.4156 1.4156 1.6860 1.6860 1.7845 1.7845 2.1082 2.1082 2.2220 2.2220 2.5464 2.5464 3.1488 3.1488 3.2978 3.2978 3.4291 3.4291 3.5372 3.5372 3.5600 3.5600 3.7055 3.7055 4.4929 4.4929 4.6261 4.6261 4.7516 4.7516 4.7875 4.7875 9.3938 9.3938 k = 0.5273 0.2636-0.4720 ( 8733 PWs) bands (ev): -11.1574 -11.1574 -10.9901 -10.9901 -10.7749 -10.7749 -10.7736 -10.7736 -10.6926 -10.6926 -10.5731 -10.5731 -1.1582 -1.1582 -0.6936 -0.6936 -0.2659 -0.2659 -0.1707 -0.1707 -0.1150 -0.1150 0.2322 0.2322 0.4898 0.4898 0.7475 0.7475 0.8329 0.8329 0.9421 0.9421 1.0498 1.0498 1.1443 1.1443 1.4202 1.4202 1.6859 1.6859 1.7825 1.7825 2.1053 2.1053 2.2227 2.2227 2.5443 2.5443 3.1491 3.1491 3.2989 3.2989 3.4252 3.4252 3.5335 3.5335 3.5679 3.5679 3.7060 3.7060 4.4930 4.4930 4.6272 4.6272 4.7455 4.7455 4.7909 4.7909 9.3855 9.3855 k = 0.5409 0.2704-0.4551 ( 8728 PWs) bands (ev): -11.1580 -11.1580 -10.9890 -10.9890 -10.7830 -10.7830 -10.7736 -10.7736 -10.6843 -10.6843 -10.5736 -10.5736 -1.1599 -1.1599 -0.6887 -0.6887 -0.2676 -0.2676 -0.1761 -0.1761 -0.1059 -0.1059 0.2326 0.2326 0.4772 0.4772 0.7291 0.7291 0.8492 0.8492 0.9360 0.9360 1.0537 1.0537 1.1559 1.1559 1.4274 1.4274 1.6856 1.6856 1.7792 1.7792 2.1008 2.1008 2.2236 2.2236 2.5409 2.5409 3.1495 3.1495 3.3007 3.3007 3.4192 3.4192 3.5301 3.5301 3.5773 3.5773 3.7067 3.7067 4.4932 4.4932 4.6291 4.6291 4.7376 4.7376 4.7946 4.7946 9.3724 9.3724 k = 0.5545 0.2773-0.4383 ( 8731 PWs) bands (ev): -11.1591 -11.1591 -10.9874 -10.9874 -10.7930 -10.7930 -10.7724 -10.7724 -10.6750 -10.6750 -10.5743 -10.5743 -1.1622 -1.1622 -0.6820 -0.6820 -0.2705 -0.2705 -0.1817 -0.1817 -0.0949 -0.0949 0.2330 0.2330 0.4605 0.4605 0.7123 0.7123 0.8568 0.8568 0.9353 0.9353 1.0575 1.0575 1.1716 1.1716 1.4371 1.4371 1.6850 1.6850 1.7747 1.7747 2.0951 2.0951 2.2245 2.2245 2.5364 2.5364 3.1502 3.1502 3.3031 3.3031 3.4120 3.4120 3.5276 3.5276 3.5871 3.5871 3.7078 3.7078 4.4935 4.4935 4.6314 4.6314 4.7287 4.7287 4.7976 4.7976 9.3553 9.3553 k = 0.5682 0.2841-0.4214 ( 8729 PWs) bands (ev): -11.1605 -11.1605 -10.9854 -10.9854 -10.8034 -10.8034 -10.7708 -10.7708 -10.6655 -10.6655 -10.5752 -10.5752 -1.1650 -1.1650 -0.6739 -0.6739 -0.2750 -0.2750 -0.1864 -0.1864 -0.0822 -0.0822 0.2334 0.2334 0.4404 0.4404 0.6971 0.6971 0.8542 0.8542 0.9405 0.9405 1.0630 1.0630 1.1904 1.1904 1.4488 1.4488 1.6842 1.6842 1.7689 1.7689 2.0889 2.0889 2.2252 2.2252 2.5309 2.5309 3.1511 3.1511 3.3061 3.3061 3.4043 3.4043 3.5256 3.5256 3.5967 3.5967 3.7092 3.7092 4.4939 4.4939 4.6338 4.6338 4.7198 4.7198 4.7995 4.7995 9.3354 9.3354 k = 0.5818 0.2909-0.4046 ( 8738 PWs) bands (ev): -11.1626 -11.1626 -10.9829 -10.9829 -10.8137 -10.8137 -10.7689 -10.7689 -10.6560 -10.6560 -10.5763 -10.5763 -1.1683 -1.1683 -0.6646 -0.6646 -0.2815 -0.2815 -0.1896 -0.1896 -0.0682 -0.0682 0.2336 0.2336 0.4180 0.4180 0.6830 0.6830 0.8449 0.8449 0.9465 0.9465 1.0726 1.0726 1.2109 1.2109 1.4620 1.4620 1.6831 1.6831 1.7620 1.7620 2.0826 2.0826 2.2256 2.2256 2.5246 2.5246 3.1522 3.1522 3.3096 3.3096 3.3965 3.3965 3.5241 3.5241 3.6057 3.6057 3.7108 3.7108 4.4946 4.4946 4.6362 4.6362 4.7113 4.7113 4.8003 4.8003 9.3136 9.3136 k = 0.5955 0.2977-0.3877 ( 8740 PWs) bands (ev): -11.1653 -11.1653 -10.9800 -10.9800 -10.8234 -10.8234 -10.7666 -10.7666 -10.6468 -10.6468 -10.5775 -10.5775 -1.1718 -1.1718 -0.6545 -0.6545 -0.2902 -0.2902 -0.1907 -0.1907 -0.0532 -0.0532 0.2334 0.2334 0.3941 0.3941 0.6698 0.6698 0.8327 0.8327 0.9491 0.9491 1.0876 1.0876 1.2321 1.2321 1.4763 1.4763 1.6817 1.6817 1.7543 1.7543 2.0765 2.0765 2.2257 2.2257 2.5179 2.5179 3.1536 3.1536 3.3134 3.3134 3.3892 3.3892 3.5230 3.5230 3.6137 3.6137 3.7128 3.7128 4.4956 4.4956 4.6380 4.6380 4.7038 4.7038 4.7999 4.7999 9.2913 9.2913 k = 0.6091 0.3045-0.3709 ( 8742 PWs) bands (ev): -11.1690 -11.1690 -10.9767 -10.9767 -10.8324 -10.8324 -10.7641 -10.7641 -10.6380 -10.6380 -10.5789 -10.5789 -1.1756 -1.1756 -0.6441 -0.6441 -0.3011 -0.3011 -0.1894 -0.1894 -0.0376 -0.0376 0.2328 0.2328 0.3698 0.3698 0.6573 0.6573 0.8193 0.8193 0.9476 0.9476 1.1071 1.1071 1.2534 1.2534 1.4914 1.4914 1.6802 1.6802 1.7460 1.7460 2.0710 2.0710 2.2254 2.2254 2.5109 2.5109 3.1554 3.1554 3.3175 3.3175 3.3825 3.3825 3.5221 3.5221 3.6205 3.6205 3.7149 3.7149 4.4968 4.4968 4.6387 4.6387 4.6978 4.6978 4.7985 4.7985 9.2694 9.2694 k = 0.6227 0.3113-0.3540 ( 8737 PWs) bands (ev): -11.1736 -11.1736 -10.9729 -10.9729 -10.8403 -10.8403 -10.7612 -10.7612 -10.6297 -10.6297 -10.5804 -10.5804 -1.1795 -1.1795 -0.6340 -0.6340 -0.3139 -0.3139 -0.1857 -0.1857 -0.0219 -0.0219 0.2313 0.2313 0.3462 0.3462 0.6453 0.6453 0.8052 0.8052 0.9433 0.9433 1.1290 1.1290 1.2744 1.2744 1.5067 1.5067 1.6788 1.6788 1.7374 1.7374 2.0663 2.0663 2.2251 2.2251 2.5039 2.5039 3.1573 3.1573 3.3217 3.3217 3.3766 3.3766 3.5213 3.5213 3.6261 3.6261 3.7171 3.7171 4.4985 4.4985 4.6381 4.6381 4.6936 4.6936 4.7962 4.7962 9.2490 9.2490 k = 0.6364 0.3182-0.3371 ( 8745 PWs) bands (ev): -11.1793 -11.1793 -10.9686 -10.9686 -10.8470 -10.8470 -10.7581 -10.7581 -10.6220 -10.6220 -10.5820 -10.5820 -1.1835 -1.1835 -0.6246 -0.6246 -0.3282 -0.3282 -0.1796 -0.1796 -0.0070 -0.0070 0.2285 0.2285 0.3248 0.3248 0.6339 0.6339 0.7906 0.7906 0.9376 0.9376 1.1513 1.1513 1.2949 1.2949 1.5218 1.5218 1.6778 1.6778 1.7289 1.7289 2.0622 2.0622 2.2250 2.2250 2.4970 2.4970 3.1596 3.1596 3.3259 3.3259 3.3717 3.3717 3.5205 3.5205 3.6304 3.6304 3.7193 3.7193 4.5004 4.5004 4.6360 4.6360 4.6910 4.6910 4.7934 4.7934 9.2309 9.2309 k = 0.6364 0.3182-0.3371 ( 8745 PWs) bands (ev): -11.1793 -11.1793 -10.9686 -10.9686 -10.8470 -10.8470 -10.7581 -10.7581 -10.6220 -10.6220 -10.5820 -10.5820 -1.1835 -1.1835 -0.6246 -0.6246 -0.3282 -0.3282 -0.1796 -0.1796 -0.0070 -0.0070 0.2285 0.2285 0.3248 0.3248 0.6339 0.6339 0.7906 0.7906 0.9376 0.9376 1.1513 1.1513 1.2949 1.2949 1.5218 1.5218 1.6778 1.6778 1.7289 1.7289 2.0622 2.0622 2.2250 2.2250 2.4970 2.4970 3.1596 3.1596 3.3259 3.3259 3.3717 3.3717 3.5205 3.5205 3.6304 3.6304 3.7193 3.7193 4.5004 4.5004 4.6360 4.6360 4.6910 4.6910 4.7934 4.7934 9.2309 9.2309 k = 0.6307 0.3153-0.3161 ( 8739 PWs) bands (ev): -11.1903 -11.1903 -10.9544 -10.9544 -10.8582 -10.8582 -10.7558 -10.7558 -10.6160 -10.6160 -10.5811 -10.5811 -1.1838 -1.1838 -0.6150 -0.6150 -0.3231 -0.3231 -0.1848 -0.1848 0.0122 0.0122 0.2129 0.2129 0.3190 0.3190 0.6258 0.6258 0.7687 0.7687 0.9408 0.9408 1.1607 1.1607 1.3198 1.3198 1.5459 1.5459 1.6588 1.6588 1.7013 1.7013 2.0584 2.0584 2.2197 2.2197 2.4865 2.4865 3.1654 3.1654 3.3307 3.3307 3.3738 3.3738 3.5210 3.5210 3.6324 3.6324 3.7189 3.7189 4.4965 4.4965 4.6337 4.6337 4.6879 4.6879 4.7911 4.7911 9.2467 9.2467 k = 0.6250 0.3125-0.2950 ( 8744 PWs) bands (ev): -11.2029 -11.2029 -10.9386 -10.9386 -10.8691 -10.8691 -10.7532 -10.7532 -10.6103 -10.6103 -10.5802 -10.5802 -1.1845 -1.1845 -0.6064 -0.6064 -0.3176 -0.3176 -0.1910 -0.1910 0.0313 0.0313 0.1968 0.1968 0.3166 0.3166 0.6182 0.6182 0.7442 0.7442 0.9448 0.9448 1.1664 1.1664 1.3493 1.3493 1.5632 1.5632 1.6424 1.6424 1.6766 1.6766 2.0544 2.0544 2.2145 2.2145 2.4766 2.4766 3.1717 3.1717 3.3359 3.3359 3.3762 3.3762 3.5217 3.5217 3.6334 3.6334 3.7178 3.7178 4.4936 4.4936 4.6314 4.6314 4.6831 4.6831 4.7901 4.7901 9.2631 9.2631 k = 0.6193 0.3096-0.2739 ( 8738 PWs) bands (ev): -11.2165 -11.2165 -10.9217 -10.9217 -10.8799 -10.8799 -10.7503 -10.7503 -10.6049 -10.6049 -10.5791 -10.5791 -1.1856 -1.1856 -0.5986 -0.5986 -0.3117 -0.3117 -0.1974 -0.1974 0.0481 0.0481 0.1830 0.1830 0.3154 0.3154 0.6114 0.6114 0.7181 0.7181 0.9495 0.9495 1.1687 1.1687 1.3803 1.3803 1.5652 1.5652 1.6257 1.6257 1.6686 1.6686 2.0504 2.0504 2.2093 2.2093 2.4678 2.4678 3.1783 3.1783 3.3413 3.3413 3.3787 3.3787 3.5226 3.5226 3.6336 3.6336 3.7160 3.7160 4.4918 4.4918 4.6290 4.6290 4.6768 4.6768 4.7907 4.7907 9.2788 9.2788 k = 0.6136 0.3068-0.2529 ( 8744 PWs) bands (ev): -11.2305 -11.2305 -10.9049 -10.9049 -10.8898 -10.8898 -10.7471 -10.7471 -10.5999 -10.5999 -10.5780 -10.5780 -1.1871 -1.1871 -0.5914 -0.5914 -0.3055 -0.3055 -0.2032 -0.2032 0.0599 0.0599 0.1738 0.1738 0.3147 0.3147 0.6056 0.6056 0.6910 0.6910 0.9547 0.9547 1.1679 1.1679 1.4067 1.4067 1.5514 1.5514 1.6075 1.6075 1.6838 1.6838 2.0466 2.0466 2.2038 2.2038 2.4606 2.4606 3.1851 3.1851 3.3464 3.3464 3.3812 3.3812 3.5237 3.5237 3.6328 3.6328 3.7133 3.7133 4.4910 4.4910 4.6266 4.6266 4.6696 4.6696 4.7928 4.7928 9.2929 9.2929 k = 0.6080 0.3040-0.2318 ( 8746 PWs) bands (ev): -11.2447 -11.2447 -10.9023 -10.9023 -10.8851 -10.8851 -10.7435 -10.7435 -10.5954 -10.5954 -10.5768 -10.5768 -1.1890 -1.1890 -0.5842 -0.5842 -0.2991 -0.2991 -0.2080 -0.2080 0.0643 0.0643 0.1709 0.1709 0.3144 0.3144 0.6011 0.6011 0.6635 0.6635 0.9604 0.9604 1.1645 1.1645 1.4198 1.4198 1.5280 1.5280 1.6021 1.6021 1.7095 1.7095 2.0432 2.0432 2.1980 2.1980 2.4554 2.4554 3.1918 3.1918 3.3512 3.3512 3.3837 3.3837 3.5249 3.5249 3.6311 3.6311 3.7099 3.7099 4.4914 4.4914 4.6237 4.6237 4.6622 4.6622 4.7963 4.7963 9.3042 9.3042 k = 0.6023 0.3011-0.2107 ( 8746 PWs) bands (ev): -11.2588 -11.2588 -10.9118 -10.9118 -10.8680 -10.8680 -10.7397 -10.7397 -10.5912 -10.5912 -10.5756 -10.5756 -1.1914 -1.1914 -0.5769 -0.5769 -0.2923 -0.2923 -0.2115 -0.2115 0.0613 0.0613 0.1724 0.1724 0.3158 0.3158 0.5976 0.5976 0.6364 0.6364 0.9663 0.9663 1.1588 1.1588 1.4139 1.4139 1.4989 1.4989 1.6166 1.6166 1.7398 1.7398 2.0405 2.0405 2.1921 2.1921 2.4527 2.4527 3.1983 3.1983 3.3551 3.3551 3.3862 3.3862 3.5261 3.5261 3.6287 3.6287 3.7055 3.7055 4.4927 4.4927 4.6200 4.6200 4.6562 4.6562 4.8008 4.8008 9.3121 9.3121 k = 0.5966 0.2983-0.1897 ( 8750 PWs) bands (ev): -11.2728 -11.2728 -10.9215 -10.9215 -10.8506 -10.8506 -10.7357 -10.7357 -10.5875 -10.5875 -10.5744 -10.5744 -1.1940 -1.1940 -0.5691 -0.5691 -0.2854 -0.2854 -0.2136 -0.2136 0.0533 0.0533 0.1739 0.1739 0.3207 0.3207 0.5918 0.5918 0.6131 0.6131 0.9725 0.9725 1.1508 1.1508 1.3933 1.3933 1.4674 1.4674 1.6434 1.6434 1.7739 1.7739 2.0387 2.0387 2.1863 2.1863 2.4528 2.4528 3.2044 3.2044 3.3581 3.3581 3.3885 3.3885 3.5272 3.5272 3.6255 3.6255 3.7001 3.7001 4.4948 4.4948 4.6145 4.6145 4.6527 4.6527 4.8061 4.8061 9.3160 9.3160 k = 0.5909 0.2954-0.1686 ( 8739 PWs) bands (ev): -11.2863 -11.2863 -10.9309 -10.9309 -10.8335 -10.8335 -10.7314 -10.7314 -10.5843 -10.5843 -10.5732 -10.5732 -1.1970 -1.1970 -0.5605 -0.5605 -0.2782 -0.2782 -0.2144 -0.2144 0.0429 0.0429 0.1712 0.1712 0.3305 0.3305 0.5729 0.5729 0.6046 0.6046 0.9786 0.9786 1.1407 1.1407 1.3651 1.3651 1.4354 1.4354 1.6722 1.6722 1.8126 1.8126 2.0379 2.0379 2.1810 2.1810 2.4559 2.4559 3.2100 3.2100 3.3601 3.3601 3.3908 3.3908 3.5281 3.5281 3.6219 3.6219 3.6937 3.6937 4.4975 4.4975 4.6073 4.6073 4.6528 4.6528 4.8120 4.8120 9.3158 9.3158 k = 0.5852 0.2926-0.1475 ( 8754 PWs) bands (ev): -11.2993 -11.2993 -10.9399 -10.9399 -10.8168 -10.8168 -10.7270 -10.7270 -10.5814 -10.5814 -10.5721 -10.5721 -1.2002 -1.2002 -0.5510 -0.5510 -0.2708 -0.2708 -0.2140 -0.2140 0.0316 0.0316 0.1630 0.1630 0.3453 0.3453 0.5468 0.5468 0.6050 0.6050 0.9844 0.9844 1.1285 1.1285 1.3338 1.3338 1.4034 1.4034 1.6969 1.6969 1.8563 1.8563 2.0384 2.0384 2.1767 2.1767 2.4623 2.4623 3.2148 3.2148 3.3610 3.3610 3.3926 3.3926 3.5287 3.5287 3.6179 3.6179 3.6863 3.6863 4.5003 4.5003 4.5986 4.5986 4.6564 4.6564 4.8183 4.8183 9.3117 9.3117 k = 0.5795 0.2898-0.1264 ( 8760 PWs) bands (ev): -11.3119 -11.3119 -10.9485 -10.9485 -10.8007 -10.8007 -10.7225 -10.7225 -10.5790 -10.5790 -10.5710 -10.5710 -1.2034 -1.2034 -0.5406 -0.5406 -0.2632 -0.2632 -0.2126 -0.2126 0.0201 0.0201 0.1499 0.1499 0.3638 0.3638 0.5200 0.5200 0.6077 0.6077 0.9896 0.9896 1.1143 1.1143 1.3021 1.3021 1.3719 1.3719 1.7151 1.7151 1.9037 1.9037 2.0407 2.0407 2.1738 2.1738 2.4720 2.4720 3.2189 3.2189 3.3610 3.3610 3.3937 3.3937 3.5287 3.5287 3.6138 3.6138 3.6779 3.6779 4.5029 4.5029 4.5894 4.5894 4.6632 4.6632 4.8249 4.8249 9.3041 9.3041 k = 0.5739 0.2869-0.1054 ( 8764 PWs) bands (ev): -11.3237 -11.3237 -10.9567 -10.9567 -10.7853 -10.7853 -10.7178 -10.7178 -10.5769 -10.5769 -10.5701 -10.5701 -1.2066 -1.2066 -0.5291 -0.5291 -0.2552 -0.2552 -0.2105 -0.2105 0.0090 0.0090 0.1335 0.1335 0.3837 0.3837 0.4943 0.4943 0.6115 0.6115 0.9935 0.9935 1.0987 1.0987 1.2715 1.2715 1.3410 1.3410 1.7270 1.7270 1.9512 1.9512 2.0461 2.0461 2.1730 2.1730 2.4850 2.4850 3.2220 3.2220 3.3604 3.3604 3.3940 3.3940 3.5282 3.5282 3.6099 3.6099 3.6685 3.6685 4.5051 4.5051 4.5801 4.5801 4.6729 4.6729 4.8319 4.8319 9.2935 9.2935 k = 0.5682 0.2841-0.0843 ( 8767 PWs) bands (ev): -11.3349 -11.3349 -10.9644 -10.9644 -10.7706 -10.7706 -10.7132 -10.7132 -10.5752 -10.5752 -10.5694 -10.5694 -1.2096 -1.2096 -0.5167 -0.5167 -0.2470 -0.2470 -0.2079 -0.2079 -0.0017 -0.0017 0.1154 0.1154 0.4010 0.4010 0.4727 0.4727 0.6159 0.6159 0.9948 0.9948 1.0829 1.0829 1.2430 1.2430 1.3108 1.3108 1.7333 1.7333 1.9928 1.9928 2.0578 2.0578 2.1755 2.1755 2.5012 2.5012 3.2242 3.2242 3.3593 3.3593 3.3931 3.3931 3.5272 3.5272 3.6064 3.6064 3.6581 3.6581 4.5067 4.5067 4.5711 4.5711 4.6851 4.6851 4.8391 4.8391 9.2808 9.2808 k = 0.5625 0.2812-0.0632 ( 8771 PWs) bands (ev): -11.3454 -11.3454 -10.9715 -10.9715 -10.7566 -10.7566 -10.7085 -10.7085 -10.5738 -10.5738 -10.5688 -10.5688 -1.2124 -1.2124 -0.5035 -0.5035 -0.2387 -0.2387 -0.2051 -0.2051 -0.0119 -0.0119 0.0969 0.0969 0.4050 0.4050 0.4651 0.4651 0.6207 0.6207 0.9918 0.9918 1.0690 1.0690 1.2170 1.2170 1.2816 1.2816 1.7349 1.7349 2.0193 2.0193 2.0805 2.0805 2.1838 2.1838 2.5203 2.5203 3.2254 3.2254 3.3578 3.3578 3.3909 3.3909 3.5256 3.5256 3.6034 3.6034 3.6469 3.6469 4.5075 4.5075 4.5625 4.5625 4.6991 4.6991 4.8465 4.8465 9.2665 9.2665 k = 0.5568 0.2784-0.0422 ( 8760 PWs) bands (ev): -11.3551 -11.3551 -10.9781 -10.9781 -10.7436 -10.7436 -10.7039 -10.7039 -10.5727 -10.5727 -10.5685 -10.5685 -1.2149 -1.2149 -0.4898 -0.4898 -0.2304 -0.2304 -0.2023 -0.2023 -0.0215 -0.0215 0.0795 0.0795 0.3890 0.3890 0.4776 0.4776 0.6256 0.6256 0.9824 0.9824 1.0598 1.0598 1.1935 1.1935 1.2536 1.2536 1.7330 1.7330 2.0327 2.0327 2.1065 2.1065 2.2022 2.2022 2.5423 2.5423 3.2257 3.2257 3.3559 3.3559 3.3873 3.3873 3.5236 3.5236 3.6008 3.6008 3.6352 3.6352 4.5078 4.5078 4.5545 4.5545 4.7144 4.7144 4.8543 4.8543 9.2512 9.2512 k = 0.5511 0.2756-0.0211 ( 8760 PWs) bands (ev): -11.3639 -11.3639 -10.9842 -10.9842 -10.7315 -10.7315 -10.6994 -10.6994 -10.5718 -10.5718 -10.5683 -10.5683 -1.2170 -1.2170 -0.4758 -0.4758 -0.2226 -0.2226 -0.1993 -0.1993 -0.0307 -0.0307 0.0641 0.0641 0.3648 0.3648 0.4978 0.4978 0.6306 0.6306 0.9671 0.9671 1.0554 1.0554 1.1724 1.1724 1.2270 1.2270 1.7284 1.7284 2.0412 2.0412 2.1240 2.1240 2.2326 2.2326 2.5666 2.5666 3.2253 3.2253 3.3538 3.3538 3.3825 3.3825 3.5213 3.5213 3.5986 3.5986 3.6232 3.6232 4.5075 4.5075 4.5472 4.5472 4.7302 4.7302 4.8623 4.8623 9.2357 9.2357 k = 0.5455 0.2727-0.0000 ( 8754 PWs) bands (ev): -11.3719 -11.3719 -10.9897 -10.9897 -10.7204 -10.7204 -10.6950 -10.6950 -10.5712 -10.5712 -10.5684 -10.5684 -1.2187 -1.2187 -0.4618 -0.4618 -0.2165 -0.2165 -0.1958 -0.1958 -0.0393 -0.0393 0.0518 0.0518 0.3384 0.3384 0.5193 0.5193 0.6356 0.6356 0.9485 0.9485 1.0540 1.0540 1.1535 1.1535 1.2022 1.2022 1.7220 1.7220 2.0480 2.0480 2.1337 2.1337 2.2696 2.2696 2.5928 2.5928 3.2244 3.2244 3.3513 3.3513 3.3766 3.3766 3.5190 3.5190 3.5958 3.5958 3.6120 3.6120 4.5068 4.5068 4.5406 4.5406 4.7457 4.7457 4.8709 4.8709 9.2203 9.2203 k = 0.5398 0.2699 0.0210 ( 8750 PWs) bands (ev): -11.3791 -11.3791 -10.9945 -10.9945 -10.7104 -10.7104 -10.6910 -10.6910 -10.5708 -10.5708 -10.5686 -10.5686 -1.2201 -1.2201 -0.4481 -0.4481 -0.2133 -0.2133 -0.1909 -0.1909 -0.0474 -0.0474 0.0435 0.0435 0.3114 0.3114 0.5399 0.5399 0.6408 0.6408 0.9293 0.9293 1.0534 1.0534 1.1368 1.1368 1.1795 1.1795 1.7147 1.7147 2.0539 2.0539 2.1396 2.1396 2.3072 2.3072 2.6202 2.6202 3.2230 3.2230 3.3484 3.3484 3.3698 3.3698 3.5167 3.5167 3.5902 3.5902 3.6041 3.6041 4.5057 4.5057 4.5349 4.5349 4.7601 4.7601 4.8798 4.8798 9.2056 9.2056 k = 0.5341 0.2670 0.0421 ( 8752 PWs) bands (ev): -11.3853 -11.3853 -10.9988 -10.9988 -10.7015 -10.7015 -10.6872 -10.6872 -10.5706 -10.5706 -10.5689 -10.5689 -1.2210 -1.2210 -0.4353 -0.4353 -0.2129 -0.2129 -0.1848 -0.1848 -0.0547 -0.0547 0.0394 0.0394 0.2844 0.2844 0.5586 0.5586 0.6462 0.6462 0.9112 0.9112 1.0522 1.0522 1.1226 1.1226 1.1593 1.1593 1.7070 1.7070 2.0592 2.0592 2.1439 2.1439 2.3420 2.3420 2.6482 2.6482 3.2214 3.2214 3.3451 3.3451 3.3626 3.3626 3.5144 3.5144 3.5808 3.5808 3.6010 3.6010 4.5044 4.5044 4.5301 4.5301 4.7728 4.7728 4.8890 4.8890 9.1920 9.1920 k = 0.5284 0.2642 0.0632 ( 8752 PWs) bands (ev): -11.3906 -11.3906 -11.0024 -11.0024 -10.6938 -10.6938 -10.6838 -10.6838 -10.5705 -10.5705 -10.5693 -10.5693 -1.2217 -1.2217 -0.4235 -0.4235 -0.2146 -0.2146 -0.1786 -0.1786 -0.0608 -0.0608 0.0395 0.0395 0.2579 0.2579 0.5742 0.5742 0.6522 0.6522 0.8952 0.8952 1.0494 1.0494 1.1112 1.1112 1.1419 1.1419 1.6997 1.6997 2.0638 2.0638 2.1473 2.1473 2.3724 2.3724 2.6754 2.6754 3.2199 3.2199 3.3414 3.3414 3.3553 3.3553 3.5123 3.5123 3.5706 3.5706 3.5998 3.5998 4.5030 4.5030 4.5261 4.5261 4.7835 4.7835 4.8981 4.8981 9.1798 9.1798 k = 0.5227 0.2614 0.0843 ( 8733 PWs) bands (ev): -11.3949 -11.3949 -11.0054 -11.0054 -10.6874 -10.6874 -10.6809 -10.6809 -10.5706 -10.5706 -10.5697 -10.5697 -1.2221 -1.2221 -0.4133 -0.4133 -0.2173 -0.2173 -0.1731 -0.1731 -0.0658 -0.0658 0.0436 0.0436 0.2324 0.2324 0.5864 0.5864 0.6588 0.6588 0.8821 0.8821 1.0444 1.0444 1.1031 1.1031 1.1279 1.1279 1.6931 1.6931 2.0676 2.0676 2.1501 2.1501 2.3977 2.3977 2.7007 2.7007 3.2186 3.2186 3.3376 3.3376 3.3484 3.3484 3.5103 3.5103 3.5614 3.5614 3.5993 3.5993 4.5015 4.5015 4.5231 4.5231 4.7921 4.7921 4.9068 4.9068 9.1693 9.1693 k = 0.5170 0.2585 0.1053 ( 8724 PWs) bands (ev): -11.3984 -11.3984 -11.0077 -11.0077 -10.6823 -10.6823 -10.6785 -10.6785 -10.5708 -10.5708 -10.5701 -10.5701 -1.2223 -1.2223 -0.4050 -0.4050 -0.2203 -0.2203 -0.1687 -0.1687 -0.0694 -0.0694 0.0508 0.0508 0.2088 0.2088 0.5949 0.5949 0.6654 0.6654 0.8721 0.8721 1.0380 1.0380 1.0977 1.0977 1.1173 1.1173 1.6876 1.6876 2.0705 2.0705 2.1525 2.1525 2.4175 2.4175 2.7226 2.7226 3.2176 3.2176 3.3338 3.3338 3.3423 3.3423 3.5084 3.5084 3.5540 3.5540 3.5991 3.5991 4.5002 4.5002 4.5208 4.5208 4.7986 4.7986 4.9143 4.9143 9.1609 9.1609 k = 0.5114 0.2557 0.1264 ( 8722 PWs) bands (ev): -11.4008 -11.4008 -11.0094 -11.0094 -10.6789 -10.6789 -10.6766 -10.6766 -10.5710 -10.5710 -10.5704 -10.5704 -1.2224 -1.2224 -0.3988 -0.3988 -0.2230 -0.2230 -0.1656 -0.1656 -0.0719 -0.0719 0.0597 0.0597 0.1882 0.1882 0.6003 0.6003 0.6712 0.6712 0.8652 0.8652 1.0318 1.0318 1.0942 1.0942 1.1103 1.1103 1.6835 1.6835 2.0726 2.0726 2.1542 2.1542 2.4316 2.4316 2.7396 2.7396 3.2170 3.2170 3.3305 3.3305 3.3376 3.3376 3.5069 3.5069 3.5486 3.5486 3.5990 3.5990 4.4992 4.4992 4.5193 4.5193 4.8030 4.8030 4.9201 4.9201 9.1548 9.1548 k = 0.5057 0.2528 0.1475 ( 8714 PWs) bands (ev): -11.4023 -11.4023 -11.0104 -11.0104 -10.6770 -10.6770 -10.6752 -10.6752 -10.5711 -10.5711 -10.5705 -10.5705 -1.2224 -1.2224 -0.3949 -0.3949 -0.2248 -0.2248 -0.1637 -0.1637 -0.0733 -0.0733 0.0678 0.0678 0.1732 0.1732 0.6031 0.6031 0.6752 0.6752 0.8613 0.8613 1.0273 1.0273 1.0921 1.0921 1.1065 1.1065 1.6809 1.6809 2.0739 2.0739 2.1553 2.1553 2.4401 2.4401 2.7503 2.7503 3.2166 3.2166 3.3281 3.3281 3.3347 3.3347 3.5058 3.5058 3.5454 3.5454 3.5990 3.5990 4.4985 4.4985 4.5184 4.5184 4.8056 4.8056 4.9238 4.9238 9.1510 9.1510 k = 0.5000 0.2500 0.1685 ( 8684 PWs) bands (ev): -11.4027 -11.4027 -11.0107 -11.0107 -10.6764 -10.6764 -10.6746 -10.6746 -10.5712 -10.5712 -10.5706 -10.5706 -1.2224 -1.2224 -0.3937 -0.3937 -0.2254 -0.2254 -0.1631 -0.1631 -0.0737 -0.0737 0.0712 0.0712 0.1675 0.1675 0.6040 0.6040 0.6766 0.6766 0.8600 0.8600 1.0257 1.0257 1.0913 1.0913 1.1053 1.1053 1.6801 1.6801 2.0743 2.0743 2.1557 2.1557 2.4430 2.4430 2.7540 2.7540 3.2165 3.2165 3.3273 3.3273 3.3338 3.3338 3.5055 3.5055 3.5444 3.5444 3.5990 3.5990 4.4983 4.4983 4.5181 4.5181 4.8065 4.8065 4.9251 4.9251 9.1497 9.1497 k = 0.5000-0.3750-0.2528 ( 8714 PWs) bands (ev): -11.2204 -11.2204 -11.0418 -11.0418 -10.7100 -10.7100 -10.6912 -10.6912 -10.6418 -10.6418 -10.6383 -10.6383 -1.2489 -1.2489 -0.7538 -0.7538 -0.6076 -0.6076 -0.0835 -0.0835 -0.0378 -0.0378 0.3489 0.3489 0.3605 0.3605 0.6169 0.6169 0.8052 0.8052 0.8095 0.8095 0.9588 0.9588 1.3378 1.3378 1.6771 1.6771 1.8844 1.8844 1.9627 1.9627 2.1911 2.1911 2.3032 2.3032 2.5695 2.5695 3.1336 3.1336 3.2600 3.2600 3.4281 3.4281 3.5273 3.5273 3.5287 3.5287 3.7377 3.7377 4.5743 4.5743 4.6439 4.6439 4.7305 4.7305 4.7833 4.7833 9.1063 9.1063 k = 0.5152-0.3611-0.2435 ( 8725 PWs) bands (ev): -11.2201 -11.2201 -11.0415 -11.0415 -10.7104 -10.7104 -10.6929 -10.6929 -10.6407 -10.6407 -10.6378 -10.6378 -1.2486 -1.2486 -0.7529 -0.7529 -0.6065 -0.6065 -0.0838 -0.0838 -0.0372 -0.0372 0.3386 0.3386 0.3688 0.3688 0.6170 0.6170 0.7990 0.7990 0.8171 0.8171 0.9593 0.9593 1.3386 1.3386 1.6747 1.6747 1.8844 1.8844 1.9621 1.9621 2.1897 2.1897 2.3028 2.3028 2.5690 2.5690 3.1337 3.1337 3.2605 3.2605 3.4267 3.4267 3.5229 3.5229 3.5345 3.5345 3.7377 3.7377 4.5742 4.5742 4.6439 4.6439 4.7306 4.7306 4.7827 4.7827 9.1042 9.1042 k = 0.5303-0.3473-0.2341 ( 8742 PWs) bands (ev): -11.2193 -11.2193 -11.0407 -11.0407 -10.7116 -10.7116 -10.6978 -10.6978 -10.6379 -10.6379 -10.6365 -10.6365 -1.2477 -1.2477 -0.7502 -0.7502 -0.6032 -0.6032 -0.0845 -0.0845 -0.0353 -0.0353 0.3226 0.3226 0.3788 0.3788 0.6170 0.6170 0.7928 0.7928 0.8273 0.8273 0.9613 0.9613 1.3409 1.3409 1.6677 1.6677 1.8841 1.8841 1.9604 1.9604 2.1856 2.1856 2.3016 2.3016 2.5675 2.5675 3.1339 3.1339 3.2622 3.2622 3.4229 3.4229 3.5192 3.5192 3.5422 3.5422 3.7376 3.7376 4.5741 4.5741 4.6436 4.6436 4.7307 4.7307 4.7812 4.7812 9.0984 9.0984 k = 0.5455-0.3334-0.2248 ( 8738 PWs) bands (ev): -11.2179 -11.2179 -11.0393 -11.0393 -10.7135 -10.7135 -10.7049 -10.7049 -10.6351 -10.6351 -10.6335 -10.6335 -1.2463 -1.2463 -0.7457 -0.7457 -0.5979 -0.5979 -0.0858 -0.0858 -0.0322 -0.0322 0.3052 0.3052 0.3865 0.3865 0.6170 0.6170 0.7886 0.7886 0.8375 0.8375 0.9653 0.9653 1.3445 1.3445 1.6564 1.6564 1.8833 1.8833 1.9578 1.9578 2.1789 2.1789 2.2995 2.2995 2.5650 2.5650 3.1344 3.1344 3.2648 3.2648 3.4171 3.4171 3.5167 3.5167 3.5508 3.5508 3.7375 3.7375 4.5741 4.5741 4.6430 4.6430 4.7308 4.7308 4.7789 4.7789 9.0897 9.0897 k = 0.5606-0.3195-0.2154 ( 8736 PWs) bands (ev): -11.2160 -11.2160 -11.0374 -11.0374 -10.7160 -10.7160 -10.7135 -10.7135 -10.6325 -10.6325 -10.6294 -10.6294 -1.2443 -1.2443 -0.7396 -0.7396 -0.5904 -0.5904 -0.0878 -0.0878 -0.0281 -0.0281 0.2872 0.2872 0.3916 0.3916 0.6167 0.6167 0.7864 0.7864 0.8467 0.8467 0.9721 0.9721 1.3492 1.3492 1.6414 1.6414 1.8814 1.8814 1.9541 1.9541 2.1698 2.1698 2.2967 2.2967 2.5618 2.5618 3.1350 3.1350 3.2684 3.2684 3.4100 3.4100 3.5151 3.5151 3.5601 3.5601 3.7373 3.7373 4.5740 4.5740 4.6417 4.6417 4.7307 4.7307 4.7762 4.7762 9.0795 9.0796 k = 0.5758-0.3056-0.2060 ( 8737 PWs) bands (ev): -11.2136 -11.2136 -11.0350 -11.0350 -10.7233 -10.7233 -10.7187 -10.7187 -10.6296 -10.6296 -10.6252 -10.6252 -1.2418 -1.2418 -0.7319 -0.7319 -0.5809 -0.5809 -0.0903 -0.0903 -0.0230 -0.0230 0.2695 0.2695 0.3939 0.3939 0.6161 0.6161 0.7861 0.7861 0.8542 0.8542 0.9825 0.9825 1.3548 1.3548 1.6234 1.6234 1.8778 1.8778 1.9494 1.9494 2.1586 2.1586 2.2932 2.2932 2.5578 2.5578 3.1358 3.1358 3.2729 3.2729 3.4022 3.4022 3.5141 3.5141 3.5695 3.5695 3.7371 3.7371 4.5741 4.5741 4.6397 4.6397 4.7302 4.7302 4.7738 4.7738 9.0693 9.0693 k = 0.5909-0.2917-0.1967 ( 8745 PWs) bands (ev): -11.2108 -11.2108 -11.0321 -11.0321 -10.7337 -10.7337 -10.7219 -10.7219 -10.6265 -10.6265 -10.6213 -10.6213 -1.2387 -1.2387 -0.7230 -0.7230 -0.5693 -0.5693 -0.0935 -0.0935 -0.0174 -0.0174 0.2526 0.2526 0.3936 0.3936 0.6152 0.6152 0.7873 0.7873 0.8597 0.8597 0.9968 0.9968 1.3608 1.3608 1.6031 1.6031 1.8721 1.8721 1.9435 1.9435 2.1459 2.1459 2.2891 2.2891 2.5534 2.5534 3.1369 3.1369 3.2780 3.2780 3.3940 3.3940 3.5136 3.5136 3.5788 3.5788 3.7367 3.7367 4.5742 4.5742 4.6366 4.6366 4.7289 4.7289 4.7721 4.7721 9.0602 9.0602 k = 0.6061-0.2778-0.1873 ( 8747 PWs) bands (ev): -11.2076 -11.2076 -11.0287 -11.0287 -10.7447 -10.7447 -10.7253 -10.7253 -10.6234 -10.6234 -10.6176 -10.6176 -1.2352 -1.2352 -0.7129 -0.7129 -0.5559 -0.5559 -0.0972 -0.0972 -0.0119 -0.0119 0.2374 0.2374 0.3906 0.3906 0.6141 0.6141 0.7895 0.7895 0.8636 0.8636 1.0147 1.0147 1.3667 1.3667 1.5812 1.5812 1.8643 1.8643 1.9358 1.9358 2.1323 2.1323 2.2846 2.2846 2.5485 2.5485 3.1381 3.1381 3.2837 3.2837 3.3860 3.3860 3.5134 3.5134 3.5878 3.5878 3.7362 3.7362 4.5740 4.5740 4.6328 4.6328 4.7267 4.7267 4.7716 4.7716 9.0534 9.0534 k = 0.6212-0.2639-0.1779 ( 8750 PWs) bands (ev): -11.2041 -11.2041 -11.0249 -11.0249 -10.7561 -10.7561 -10.7288 -10.7288 -10.6204 -10.6204 -10.6141 -10.6141 -1.2313 -1.2313 -0.7020 -0.7020 -0.5407 -0.5407 -0.1013 -0.1013 -0.0069 -0.0069 0.2249 0.2249 0.3853 0.3853 0.6130 0.6130 0.7922 0.7922 0.8668 0.8668 1.0352 1.0352 1.3719 1.3719 1.5589 1.5589 1.8544 1.8544 1.9258 1.9258 2.1185 2.1185 2.2798 2.2798 2.5433 2.5433 3.1395 3.1395 3.2899 3.2899 3.3782 3.3782 3.5134 3.5134 3.5963 3.5963 3.7355 3.7355 4.5733 4.5733 4.6285 4.6285 4.7235 4.7235 4.7724 4.7724 9.0498 9.0498 k = 0.6364-0.2500-0.1686 ( 8749 PWs) bands (ev): -11.2003 -11.2003 -11.0206 -11.0206 -10.7676 -10.7676 -10.7323 -10.7323 -10.6178 -10.6178 -10.6108 -10.6108 -1.2271 -1.2271 -0.6906 -0.6906 -0.5237 -0.5237 -0.1059 -0.1059 -0.0032 -0.0032 0.2158 0.2158 0.3777 0.3777 0.6121 0.6121 0.7947 0.7947 0.8701 0.8701 1.0576 1.0576 1.3753 1.3753 1.5373 1.5373 1.8426 1.8426 1.9127 1.9127 2.1055 2.1055 2.2747 2.2747 2.5379 2.5379 3.1411 3.1411 3.2965 3.2965 3.3711 3.3711 3.5137 3.5137 3.6041 3.6041 3.7347 3.7347 4.5714 4.5714 4.6247 4.6247 4.7195 4.7195 4.7742 4.7742 9.0501 9.0501 k = 0.6515-0.2361-0.1592 ( 8752 PWs) bands (ev): -11.1964 -11.1964 -11.0159 -11.0159 -10.7791 -10.7791 -10.7358 -10.7358 -10.6159 -10.6159 -10.6074 -10.6074 -1.2225 -1.2225 -0.6791 -0.6791 -0.5052 -0.5052 -0.1109 -0.1109 -0.0013 -0.0013 0.2109 0.2109 0.3681 0.3681 0.6117 0.6117 0.7966 0.7966 0.8742 0.8742 1.0808 1.0808 1.3756 1.3756 1.5183 1.5183 1.8292 1.8292 1.8963 1.8963 2.0940 2.0940 2.2694 2.2694 2.5324 2.5324 3.1428 3.1428 3.3032 3.3032 3.3646 3.3646 3.5140 3.5140 3.6111 3.6111 3.7336 3.7336 4.5675 4.5675 4.6220 4.6220 4.7152 4.7152 4.7767 4.7767 9.0546 9.0546 k = 0.6667-0.2223-0.1498 ( 8744 PWs) bands (ev): -11.1924 -11.1924 -11.0109 -11.0109 -10.7905 -10.7905 -10.7392 -10.7392 -10.6146 -10.6146 -10.6039 -10.6039 -1.2177 -1.2177 -0.6677 -0.6677 -0.4853 -0.4853 -0.1164 -0.1164 -0.0013 -0.0013 0.2104 0.2104 0.3568 0.3568 0.6118 0.6118 0.7978 0.7978 0.8794 0.8794 1.1039 1.1039 1.3711 1.3711 1.5040 1.5040 1.8142 1.8142 1.8765 1.8765 2.0844 2.0844 2.2639 2.2639 2.5269 2.5269 3.1447 3.1447 3.3098 3.3098 3.3591 3.3591 3.5145 3.5145 3.6173 3.6173 3.7324 3.7324 4.5614 4.5614 4.6211 4.6211 4.7107 4.7107 4.7795 4.7795 9.0635 9.0635 k = 0.6818-0.2084-0.1405 ( 8738 PWs) bands (ev): -11.1886 -11.1886 -11.0056 -11.0056 -10.8015 -10.8015 -10.7425 -10.7425 -10.6140 -10.6140 -10.6005 -10.6005 -1.2127 -1.2127 -0.6570 -0.6570 -0.4641 -0.4641 -0.1225 -0.1225 -0.0029 -0.0029 0.2141 0.2141 0.3443 0.3443 0.6126 0.6126 0.7981 0.7981 0.8857 0.8857 1.1258 1.1258 1.3608 1.3608 1.4960 1.4960 1.7978 1.7978 1.8541 1.8541 2.0768 2.0768 2.2584 2.2584 2.5215 2.5215 3.1466 3.1466 3.3162 3.3162 3.3547 3.3547 3.5151 3.5151 3.6224 3.6224 3.7310 3.7310 4.5535 4.5535 4.6219 4.6219 4.7064 4.7064 4.7824 4.7824 9.0768 9.0768 k = 0.6970-0.1945-0.1311 ( 8738 PWs) bands (ev): -11.1851 -11.1851 -11.0000 -11.0000 -10.8119 -10.8119 -10.7456 -10.7456 -10.6141 -10.6141 -10.5970 -10.5970 -1.2076 -1.2076 -0.6473 -0.6473 -0.4420 -0.4420 -0.1294 -0.1294 -0.0053 -0.0053 0.2210 0.2210 0.3312 0.3312 0.6143 0.6143 0.7977 0.7977 0.8931 0.8931 1.1453 1.1453 1.3461 1.3461 1.4940 1.4940 1.7800 1.7800 1.8301 1.8301 2.0710 2.0710 2.2527 2.2527 2.5162 2.5162 3.1487 3.1487 3.3217 3.3217 3.3521 3.3521 3.5158 3.5158 3.6265 3.6265 3.7294 3.7294 4.5442 4.5442 4.6240 4.6240 4.7023 4.7023 4.7851 4.7851 9.0944 9.0944 k = 0.7121-0.1806-0.1218 ( 8753 PWs) bands (ev): -11.1820 -11.1820 -10.9942 -10.9942 -10.8215 -10.8215 -10.7485 -10.7485 -10.6148 -10.6148 -10.5936 -10.5936 -1.2024 -1.2024 -0.6390 -0.6390 -0.4192 -0.4192 -0.1373 -0.1373 -0.0075 -0.0075 0.2298 0.2298 0.3187 0.3187 0.6168 0.6168 0.7968 0.7968 0.9013 0.9013 1.1607 1.1607 1.3296 1.3296 1.4964 1.4964 1.7606 1.7606 1.8060 1.8060 2.0667 2.0667 2.2471 2.2471 2.5113 2.5113 3.1508 3.1508 3.3255 3.3255 3.3518 3.3518 3.5165 3.5165 3.6295 3.6295 3.7277 3.7277 4.5344 4.5344 4.6267 4.6267 4.6986 4.6986 4.7876 4.7876 9.1160 9.1160 k = 0.7273-0.1667-0.1124 ( 8753 PWs) bands (ev): -11.1797 -11.1797 -10.9881 -10.9881 -10.8300 -10.8300 -10.7513 -10.7513 -10.6160 -10.6160 -10.5904 -10.5904 -1.1974 -1.1974 -0.6324 -0.6324 -0.3959 -0.3959 -0.1464 -0.1464 -0.0089 -0.0089 0.2377 0.2377 0.3090 0.3090 0.6202 0.6202 0.7955 0.7955 0.9101 0.9101 1.1699 1.1699 1.3146 1.3146 1.5015 1.5015 1.7395 1.7395 1.7835 1.7835 2.0638 2.0638 2.2414 2.2414 2.5069 2.5069 3.1530 3.1530 3.3272 3.3272 3.3543 3.3543 3.5174 3.5174 3.6314 3.6314 3.7258 3.7258 4.5248 4.5248 4.6297 4.6297 4.6955 4.6955 4.7896 4.7896 9.1410 9.1410 k = 0.7424-0.1528-0.1030 ( 8743 PWs) bands (ev): -11.1783 -11.1783 -10.9819 -10.9819 -10.8372 -10.8372 -10.7537 -10.7537 -10.6177 -10.6177 -10.5873 -10.5873 -1.1925 -1.1925 -0.6277 -0.6277 -0.3727 -0.3727 -0.1567 -0.1567 -0.0091 -0.0091 0.2407 0.2407 0.3060 0.3060 0.6242 0.6242 0.7940 0.7940 0.9192 0.9192 1.1711 1.1711 1.3040 1.3040 1.5081 1.5081 1.7176 1.7176 1.7631 1.7631 2.0621 2.0621 2.2357 2.2357 2.5029 2.5029 3.1552 3.1552 3.3272 3.3272 3.3592 3.3592 3.5184 3.5184 3.6322 3.6322 3.7238 3.7238 4.5156 4.5156 4.6324 4.6324 4.6931 4.6931 4.7914 4.7914 9.1690 9.1690 k = 0.7576-0.1389-0.0937 ( 8747 PWs) bands (ev): -11.1780 -11.1780 -10.9756 -10.9756 -10.8429 -10.8429 -10.7560 -10.7560 -10.6198 -10.6198 -10.5844 -10.5844 -1.1878 -1.1878 -0.6250 -0.6250 -0.3499 -0.3499 -0.1679 -0.1679 -0.0083 -0.0083 0.2366 0.2366 0.3120 0.3120 0.6289 0.6289 0.7924 0.7924 0.9285 0.9285 1.1640 1.1640 1.2981 1.2981 1.5152 1.5152 1.6965 1.6965 1.7451 1.7451 2.0615 2.0615 2.2302 2.2302 2.4997 2.4997 3.1573 3.1573 3.3266 3.3266 3.3652 3.3652 3.5194 3.5194 3.6318 3.6318 3.7216 3.7216 4.5074 4.5074 4.6346 4.6346 4.6916 4.6916 4.7926 4.7926 9.1992 9.1992 k = 0.7727-0.1250-0.0843 ( 8745 PWs) bands (ev): -11.1791 -11.1791 -10.9690 -10.9690 -10.8470 -10.8470 -10.7579 -10.7579 -10.6223 -10.6223 -10.5817 -10.5817 -1.1835 -1.1835 -0.6246 -0.6246 -0.3282 -0.3282 -0.1796 -0.1796 -0.0072 -0.0072 0.2284 0.2284 0.3246 0.3246 0.6339 0.6339 0.7907 0.7907 0.9377 0.9377 1.1512 1.1512 1.2949 1.2949 1.5217 1.5217 1.6780 1.6780 1.7290 1.7290 2.0620 2.0620 2.2250 2.2250 2.4972 2.4972 3.1595 3.1595 3.3260 3.3260 3.3717 3.3717 3.5204 3.5204 3.6304 3.6304 3.7193 3.7193 4.5004 4.5004 4.6360 4.6360 4.6911 4.6911 4.7935 4.7935 9.2309 9.2309 Writing output data file FeBr3.save init_run : 0.26s CPU 0.39s WALL ( 1 calls) electrons : 324.70s CPU 327.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 324.69s CPU 327.64s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 217 calls) cegterg : 295.56s CPU 297.93s WALL ( 391 calls) Called by sum_band: Called by *egterg: h_psi : 174.53s CPU 177.02s WALL ( 6098 calls) s_psi : 4.34s CPU 4.25s WALL ( 6098 calls) g_psi : 0.22s CPU 0.19s WALL ( 5490 calls) cdiaghg : 111.02s CPU 111.28s WALL ( 5707 calls) cegterg:over : 11.40s CPU 11.36s WALL ( 5490 calls) cegterg:upda : 6.97s CPU 7.01s WALL ( 5490 calls) cegterg:last : 4.16s CPU 4.15s WALL ( 825 calls) cdiaghg:chol : 4.01s CPU 4.14s WALL ( 5707 calls) cdiaghg:inve : 3.15s CPU 3.04s WALL ( 5707 calls) cdiaghg:para : 6.77s CPU 6.84s WALL ( 11414 calls) Called by h_psi: h_psi:vloc : 163.42s CPU 165.87s WALL ( 6098 calls) h_psi:vnl : 10.90s CPU 10.93s WALL ( 6098 calls) add_vuspsi : 4.75s CPU 4.84s WALL ( 6098 calls) General routines calbec : 6.13s CPU 6.07s WALL ( 6098 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 159.28s CPU 161.65s WALL ( 672844 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.12s CPU 0.20s WALL ( 434 calls) Parallel routines fft_scatter : 110.39s CPU 112.44s WALL ( 672867 calls) PWSCF : 6m13.55s CPU 6m37.96s WALL This run was terminated on: 4:27:21 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=