Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:45:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KTlO2.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 31 9 1145 495 84 Max 55 32 10 1148 518 86 Sum 1949 1137 337 41245 18237 3051 bravais-lattice index = 14 lattice parameter (alat) = 12.1245 a.u. unit-cell volume = 418.9116 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.124541 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.857352 celldm(5)= 0.857352 celldm(6)= 0.857352 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.857352 0.514730 0.000000 ) a(3) = ( 0.857352 0.237599 0.456611 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.665634 -1.010923 ) b(2) = ( 0.000000 1.942765 -1.010923 ) b(3) = ( 0.000000 0.000000 2.190046 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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. # 3 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Tl 13.00 204.38330 Tl( 1.00) K 9.00 39.09830 K( 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= 352 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0092593 -0.0154225 -0.0093604), wk = 0.0028409 k( 3) = ( 0.0185185 -0.0308451 -0.0187208), wk = 0.0028409 k( 4) = ( 0.0277778 -0.0462676 -0.0280812), wk = 0.0028409 k( 5) = ( 0.0370370 -0.0616901 -0.0374416), wk = 0.0028409 k( 6) = ( 0.0462963 -0.0771127 -0.0468020), wk = 0.0028409 k( 7) = ( 0.0555556 -0.0925352 -0.0561624), wk = 0.0028409 k( 8) = ( 0.0648148 -0.1079577 -0.0655228), wk = 0.0028409 k( 9) = ( 0.0740741 -0.1233803 -0.0748832), wk = 0.0028409 k( 10) = ( 0.0833333 -0.1388028 -0.0842436), wk = 0.0028409 k( 11) = ( 0.0925926 -0.1542253 -0.0936040), wk = 0.0028409 k( 12) = ( 0.1018518 -0.1696479 -0.1029644), wk = 0.0028409 k( 13) = ( 0.1111111 -0.1850704 -0.1123248), wk = 0.0028409 k( 14) = ( 0.1203704 -0.2004929 -0.1216852), wk = 0.0028409 k( 15) = ( 0.1296296 -0.2159155 -0.1310456), wk = 0.0028409 k( 16) = ( 0.1388889 -0.2313380 -0.1404060), wk = 0.0028409 k( 17) = ( 0.1481482 -0.2467605 -0.1497664), wk = 0.0028409 k( 18) = ( 0.1574074 -0.2621831 -0.1591268), wk = 0.0028409 k( 19) = ( 0.1666667 -0.2776056 -0.1684872), wk = 0.0028409 k( 20) = ( 0.1759259 -0.2930281 -0.1778476), wk = 0.0028409 k( 21) = ( 0.1851852 -0.3084507 -0.1872080), wk = 0.0028409 k( 22) = ( 0.1944444 -0.3238732 -0.1965684), wk = 0.0028409 k( 23) = ( 0.2037037 -0.3392957 -0.2059288), wk = 0.0028409 k( 24) = ( 0.2129630 -0.3547182 -0.2152892), wk = 0.0028409 k( 25) = ( 0.2222222 -0.3701408 -0.2246496), wk = 0.0028409 k( 26) = ( 0.2314815 -0.3855633 -0.2340100), wk = 0.0028409 k( 27) = ( 0.2407407 -0.4009858 -0.2433704), wk = 0.0028409 k( 28) = ( 0.2500000 -0.4164084 -0.2527308), wk = 0.0028409 k( 29) = ( 0.2592593 -0.4318309 -0.2620912), wk = 0.0028409 k( 30) = ( 0.2685185 -0.4472534 -0.2714516), wk = 0.0028409 k( 31) = ( 0.2777778 -0.4626760 -0.2808120), wk = 0.0028409 k( 32) = ( 0.2870370 -0.4780985 -0.2901724), wk = 0.0028409 k( 33) = ( 0.2962963 -0.4935211 -0.2995328), wk = 0.0028409 k( 34) = ( 0.3055556 -0.5089436 -0.3088932), wk = 0.0028409 k( 35) = ( 0.3148148 -0.5243661 -0.3182536), wk = 0.0028409 k( 36) = ( 0.3240741 -0.5397886 -0.3276140), wk = 0.0028409 k( 37) = ( 0.3333333 -0.5552112 -0.3369744), wk = 0.0028409 k( 38) = ( 0.3425926 -0.5706337 -0.3463348), wk = 0.0028409 k( 39) = ( 0.3518519 -0.5860562 -0.3556952), wk = 0.0028409 k( 40) = ( 0.3611111 -0.6014788 -0.3650556), wk = 0.0028409 k( 41) = ( 0.3703704 -0.6169013 -0.3744160), wk = 0.0028409 k( 42) = ( 0.3796296 -0.6323238 -0.3837764), wk = 0.0028409 k( 43) = ( 0.3888889 -0.6477464 -0.3931368), wk = 0.0028409 k( 44) = ( 0.3981481 -0.6631689 -0.4024972), wk = 0.0028409 k( 45) = ( 0.4074074 -0.6785914 -0.4118576), wk = 0.0028409 k( 46) = ( 0.4166667 -0.6940140 -0.4212180), wk = 0.0028409 k( 47) = ( 0.4259259 -0.7094365 -0.4305784), wk = 0.0028409 k( 48) = ( 0.4351852 -0.7248590 -0.4399388), wk = 0.0028409 k( 49) = ( 0.4444444 -0.7402816 -0.4492992), wk = 0.0028409 k( 50) = ( 0.4537037 -0.7557041 -0.4586596), wk = 0.0028409 k( 51) = ( 0.4629630 -0.7711266 -0.4680200), wk = 0.0028409 k( 52) = ( 0.4722222 -0.7865492 -0.4773804), wk = 0.0028409 k( 53) = ( 0.4814815 -0.8019717 -0.4867408), wk = 0.0028409 k( 54) = ( 0.4907407 -0.8173942 -0.4961012), wk = 0.0028409 k( 55) = ( 0.5000000 -0.8328168 -0.5054616), wk = 0.0028409 k( 56) = ( 0.5000000 -0.8328168 -0.5054616), wk = 0.0028409 k( 57) = ( 0.5000000 -0.8222926 -0.5228017), wk = 0.0028409 k( 58) = ( 0.5000000 -0.8117684 -0.5401417), wk = 0.0028409 k( 59) = ( 0.5000000 -0.8012442 -0.5574817), wk = 0.0028409 k( 60) = ( 0.5000000 -0.7907200 -0.5748218), wk = 0.0028409 k( 61) = ( 0.5000000 -0.7801958 -0.5921618), wk = 0.0028409 k( 62) = ( 0.5000000 -0.7696716 -0.6095019), wk = 0.0028409 k( 63) = ( 0.5000000 -0.7591474 -0.6268419), wk = 0.0028409 k( 64) = ( 0.5000000 -0.7486232 -0.6441819), wk = 0.0028409 k( 65) = ( 0.5000000 -0.7380990 -0.6615220), wk = 0.0028409 k( 66) = ( 0.5000000 -0.7275748 -0.6788620), wk = 0.0028409 k( 67) = ( 0.5000000 -0.7170507 -0.6962020), wk = 0.0028409 k( 68) = ( 0.5000000 -0.7065264 -0.7135421), wk = 0.0028409 k( 69) = ( 0.5000000 -0.6960023 -0.7308821), wk = 0.0028409 k( 70) = ( 0.5000000 -0.6854781 -0.7482222), wk = 0.0028409 k( 71) = ( 0.5000000 -0.6749539 -0.7655622), wk = 0.0028409 k( 72) = ( 0.5000000 -0.6644297 -0.7829022), wk = 0.0028409 k( 73) = ( 0.5000000 -0.6539055 -0.8002423), wk = 0.0028409 k( 74) = ( 0.5000000 -0.6433813 -0.8175823), wk = 0.0028409 k( 75) = ( 0.5000000 -0.6328571 -0.8349224), wk = 0.0028409 k( 76) = ( 0.5000000 -0.6223329 -0.8522624), wk = 0.0028409 k( 77) = ( 0.5000000 -0.6118087 -0.8696024), wk = 0.0028409 k( 78) = ( 0.5000000 -0.6012845 -0.8869425), wk = 0.0028409 k( 79) = ( 0.5000000 -0.5907603 -0.9042825), wk = 0.0028409 k( 80) = ( 0.5000000 -0.5802361 -0.9216225), wk = 0.0028409 k( 81) = ( 0.5000000 -0.5697120 -0.9389626), wk = 0.0028409 k( 82) = ( 0.5000000 -0.5591878 -0.9563026), wk = 0.0028409 k( 83) = ( 0.5000000 -0.5486636 -0.9736427), wk = 0.0028409 k( 84) = ( 0.5000000 -0.5381394 -0.9909827), wk = 0.0028409 k( 85) = ( 0.5000000 -0.5276152 -1.0083227), wk = 0.0028409 k( 86) = ( 0.5000000 -0.5170910 -1.0256628), wk = 0.0028409 k( 87) = ( 0.5000000 -0.5065668 -1.0430028), wk = 0.0028409 k( 88) = ( 0.5000000 -0.4960426 -1.0603428), wk = 0.0028409 k( 89) = ( 0.5000000 -0.4855184 -1.0776829), wk = 0.0028409 k( 90) = ( 0.5000000 -0.4749942 -1.0950229), wk = 0.0028409 k( 91) = ( 0.8158179 -0.3874712 -0.9268236), wk = 0.0028409 k( 92) = ( 0.8103727 -0.3784016 -0.9093939), wk = 0.0028409 k( 93) = ( 0.8049276 -0.3693320 -0.8919642), wk = 0.0028409 k( 94) = ( 0.7994825 -0.3602624 -0.8745345), wk = 0.0028409 k( 95) = ( 0.7940373 -0.3511928 -0.8571048), wk = 0.0028409 k( 96) = ( 0.7885922 -0.3421232 -0.8396751), wk = 0.0028409 k( 97) = ( 0.7831471 -0.3330536 -0.8222453), wk = 0.0028409 k( 98) = ( 0.7777019 -0.3239840 -0.8048156), wk = 0.0028409 k( 99) = ( 0.7722568 -0.3149144 -0.7873859), wk = 0.0028409 k( 100) = ( 0.7668116 -0.3058448 -0.7699562), wk = 0.0028409 k( 101) = ( 0.7613665 -0.2967752 -0.7525265), wk = 0.0028409 k( 102) = ( 0.7559214 -0.2877056 -0.7350968), wk = 0.0028409 k( 103) = ( 0.7504762 -0.2786360 -0.7176671), wk = 0.0028409 k( 104) = ( 0.7450311 -0.2695664 -0.7002374), wk = 0.0028409 k( 105) = ( 0.7395860 -0.2604968 -0.6828076), wk = 0.0028409 k( 106) = ( 0.7341408 -0.2514272 -0.6653779), wk = 0.0028409 k( 107) = ( 0.7286957 -0.2423576 -0.6479482), wk = 0.0028409 k( 108) = ( 0.7232506 -0.2332880 -0.6305185), wk = 0.0028409 k( 109) = ( 0.7178054 -0.2242184 -0.6130888), wk = 0.0028409 k( 110) = ( 0.7123603 -0.2151488 -0.5956591), wk = 0.0028409 k( 111) = ( 0.7069152 -0.2060792 -0.5782294), wk = 0.0028409 k( 112) = ( 0.7014700 -0.1970096 -0.5607997), wk = 0.0028409 k( 113) = ( 0.6960249 -0.1879400 -0.5433700), wk = 0.0028409 k( 114) = ( 0.6905798 -0.1788704 -0.5259402), wk = 0.0028409 k( 115) = ( 0.6851346 -0.1698008 -0.5085105), wk = 0.0028409 k( 116) = ( 0.6796895 -0.1607312 -0.4910808), wk = 0.0028409 k( 117) = ( 0.6742443 -0.1516616 -0.4736511), wk = 0.0028409 k( 118) = ( 0.6687992 -0.1425920 -0.4562214), wk = 0.0028409 k( 119) = ( 0.6633541 -0.1335224 -0.4387917), wk = 0.0028409 k( 120) = ( 0.6579089 -0.1244528 -0.4213620), wk = 0.0028409 k( 121) = ( 0.6524638 -0.1153832 -0.4039323), wk = 0.0028409 k( 122) = ( 0.6470187 -0.1063136 -0.3865026), wk = 0.0028409 k( 123) = ( 0.6415735 -0.0972440 -0.3690728), wk = 0.0028409 k( 124) = ( 0.6361284 -0.0881744 -0.3516431), wk = 0.0028409 k( 125) = ( 0.6306833 -0.0791048 -0.3342134), wk = 0.0028409 k( 126) = ( 0.6252381 -0.0700352 -0.3167837), wk = 0.0028409 k( 127) = ( 0.6197930 -0.0609656 -0.2993540), wk = 0.0028409 k( 128) = ( 0.6143479 -0.0518960 -0.2819243), wk = 0.0028409 k( 129) = ( 0.6089027 -0.0428264 -0.2644946), wk = 0.0028409 k( 130) = ( 0.6034576 -0.0337568 -0.2470649), wk = 0.0028409 k( 131) = ( 0.5980124 -0.0246872 -0.2296351), wk = 0.0028409 k( 132) = ( 0.5925673 -0.0156176 -0.2122054), wk = 0.0028409 k( 133) = ( 0.5871222 -0.0065480 -0.1947757), wk = 0.0028409 k( 134) = ( 0.5816770 0.0025216 -0.1773460), wk = 0.0028409 k( 135) = ( 0.5762319 0.0115912 -0.1599163), wk = 0.0028409 k( 136) = ( 0.5707868 0.0206608 -0.1424866), wk = 0.0028409 k( 137) = ( 0.5653416 0.0297304 -0.1250569), wk = 0.0028409 k( 138) = ( 0.5598965 0.0388000 -0.1076271), wk = 0.0028409 k( 139) = ( 0.5544514 0.0478696 -0.0901975), wk = 0.0028409 k( 140) = ( 0.5490062 0.0569392 -0.0727677), wk = 0.0028409 k( 141) = ( 0.5435611 0.0660088 -0.0553380), wk = 0.0028409 k( 142) = ( 0.5381160 0.0750784 -0.0379083), wk = 0.0028409 k( 143) = ( 0.5326708 0.0841480 -0.0204786), wk = 0.0028409 k( 144) = ( 0.5272257 0.0932176 -0.0030489), wk = 0.0028409 k( 145) = ( 0.5217805 0.1022872 0.0143808), wk = 0.0028409 k( 146) = ( 0.5163354 0.1113568 0.0318105), wk = 0.0028409 k( 147) = ( 0.5108903 0.1204264 0.0492402), wk = 0.0028409 k( 148) = ( 0.5054451 0.1294960 0.0666699), wk = 0.0028409 k( 149) = ( 0.5000000 0.1385656 0.0840997), wk = 0.0028409 k( 150) = ( 0.5000000 0.1385656 0.0840997), wk = 0.0028409 k( 151) = ( 0.4807692 0.1332362 0.0808651), wk = 0.0028409 k( 152) = ( 0.4615385 0.1279067 0.0776305), wk = 0.0028409 k( 153) = ( 0.4423077 0.1225773 0.0743959), wk = 0.0028409 k( 154) = ( 0.4230769 0.1172478 0.0711613), wk = 0.0028409 k( 155) = ( 0.4038462 0.1119184 0.0679267), wk = 0.0028409 k( 156) = ( 0.3846154 0.1065889 0.0646920), wk = 0.0028409 k( 157) = ( 0.3653846 0.1012595 0.0614574), wk = 0.0028409 k( 158) = ( 0.3461538 0.0959301 0.0582228), wk = 0.0028409 k( 159) = ( 0.3269231 0.0906006 0.0549882), wk = 0.0028409 k( 160) = ( 0.3076923 0.0852712 0.0517536), wk = 0.0028409 k( 161) = ( 0.2884615 0.0799417 0.0485190), wk = 0.0028409 k( 162) = ( 0.2692308 0.0746123 0.0452844), wk = 0.0028409 k( 163) = ( 0.2500000 0.0692828 0.0420498), wk = 0.0028409 k( 164) = ( 0.2307692 0.0639534 0.0388152), wk = 0.0028409 k( 165) = ( 0.2115385 0.0586239 0.0355806), wk = 0.0028409 k( 166) = ( 0.1923077 0.0532945 0.0323460), wk = 0.0028409 k( 167) = ( 0.1730769 0.0479650 0.0291114), wk = 0.0028409 k( 168) = ( 0.1538461 0.0426356 0.0258768), wk = 0.0028409 k( 169) = ( 0.1346154 0.0373061 0.0226422), wk = 0.0028409 k( 170) = ( 0.1153846 0.0319767 0.0194076), wk = 0.0028409 k( 171) = ( 0.0961538 0.0266472 0.0161730), wk = 0.0028409 k( 172) = ( 0.0769231 0.0213178 0.0129384), wk = 0.0028409 k( 173) = ( 0.0576923 0.0159883 0.0097038), wk = 0.0028409 k( 174) = ( 0.0384615 0.0106589 0.0064692), wk = 0.0028409 k( 175) = ( 0.0192308 0.0053294 0.0032346), wk = 0.0028409 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 178) = ( 0.0054300 -0.0090444 -0.0173813), wk = 0.0028409 k( 179) = ( 0.0108600 -0.0180888 -0.0347626), wk = 0.0028409 k( 180) = ( 0.0162901 -0.0271333 -0.0521439), wk = 0.0028409 k( 181) = ( 0.0217201 -0.0361777 -0.0695253), wk = 0.0028409 k( 182) = ( 0.0271501 -0.0452221 -0.0869066), wk = 0.0028409 k( 183) = ( 0.0325801 -0.0542665 -0.1042879), wk = 0.0028409 k( 184) = ( 0.0380101 -0.0633109 -0.1216692), wk = 0.0028409 k( 185) = ( 0.0434401 -0.0723553 -0.1390505), wk = 0.0028409 k( 186) = ( 0.0488702 -0.0813998 -0.1564318), wk = 0.0028409 k( 187) = ( 0.0543002 -0.0904442 -0.1738132), wk = 0.0028409 k( 188) = ( 0.0597302 -0.0994886 -0.1911945), wk = 0.0028409 k( 189) = ( 0.0651602 -0.1085330 -0.2085758), wk = 0.0028409 k( 190) = ( 0.0705902 -0.1175774 -0.2259571), wk = 0.0028409 k( 191) = ( 0.0760202 -0.1266219 -0.2433384), wk = 0.0028409 k( 192) = ( 0.0814503 -0.1356663 -0.2607197), wk = 0.0028409 k( 193) = ( 0.0868803 -0.1447107 -0.2781011), wk = 0.0028409 k( 194) = ( 0.0923103 -0.1537551 -0.2954824), wk = 0.0028409 k( 195) = ( 0.0977403 -0.1627995 -0.3128637), wk = 0.0028409 k( 196) = ( 0.1031703 -0.1718439 -0.3302450), wk = 0.0028409 k( 197) = ( 0.1086003 -0.1808884 -0.3476263), wk = 0.0028409 k( 198) = ( 0.1140304 -0.1899328 -0.3650076), wk = 0.0028409 k( 199) = ( 0.1194604 -0.1989772 -0.3823890), wk = 0.0028409 k( 200) = ( 0.1248904 -0.2080216 -0.3997703), wk = 0.0028409 k( 201) = ( 0.1303204 -0.2170660 -0.4171516), wk = 0.0028409 k( 202) = ( 0.1357504 -0.2261105 -0.4345329), wk = 0.0028409 k( 203) = ( 0.1411804 -0.2351549 -0.4519142), wk = 0.0028409 k( 204) = ( 0.1466105 -0.2441993 -0.4692956), wk = 0.0028409 k( 205) = ( 0.1520405 -0.2532437 -0.4866769), wk = 0.0028409 k( 206) = ( 0.1574705 -0.2622881 -0.5040582), wk = 0.0028409 k( 207) = ( 0.1629005 -0.2713326 -0.5214395), wk = 0.0028409 k( 208) = ( 0.1683305 -0.2803770 -0.5388208), wk = 0.0028409 k( 209) = ( 0.1737605 -0.2894214 -0.5562021), wk = 0.0028409 k( 210) = ( 0.1791906 -0.2984658 -0.5735835), wk = 0.0028409 k( 211) = ( 0.1846206 -0.3075102 -0.5909647), wk = 0.0028409 k( 212) = ( 0.1900506 -0.3165546 -0.6083461), wk = 0.0028409 k( 213) = ( 0.1954806 -0.3255991 -0.6257274), wk = 0.0028409 k( 214) = ( 0.2009106 -0.3346435 -0.6431087), wk = 0.0028409 k( 215) = ( 0.2063406 -0.3436879 -0.6604900), wk = 0.0028409 k( 216) = ( 0.2117707 -0.3527323 -0.6778713), wk = 0.0028409 k( 217) = ( 0.2172007 -0.3617767 -0.6952526), wk = 0.0028409 k( 218) = ( 0.2226307 -0.3708211 -0.7126340), wk = 0.0028409 k( 219) = ( 0.2280607 -0.3798656 -0.7300153), wk = 0.0028409 k( 220) = ( 0.2334907 -0.3889100 -0.7473966), wk = 0.0028409 k( 221) = ( 0.2389207 -0.3979544 -0.7647779), wk = 0.0028409 k( 222) = ( 0.2443508 -0.4069988 -0.7821592), wk = 0.0028409 k( 223) = ( 0.2497808 -0.4160432 -0.7995406), wk = 0.0028409 k( 224) = ( 0.2552108 -0.4250876 -0.8169219), wk = 0.0028409 k( 225) = ( 0.2606408 -0.4341321 -0.8343032), wk = 0.0028409 k( 226) = ( 0.2660708 -0.4431765 -0.8516845), wk = 0.0028409 k( 227) = ( 0.2715008 -0.4522209 -0.8690658), wk = 0.0028409 k( 228) = ( 0.2769309 -0.4612653 -0.8864471), wk = 0.0028409 k( 229) = ( 0.2823609 -0.4703097 -0.9038285), wk = 0.0028409 k( 230) = ( 0.2877909 -0.4793542 -0.9212098), wk = 0.0028409 k( 231) = ( 0.2932209 -0.4883986 -0.9385911), wk = 0.0028409 k( 232) = ( 0.2986509 -0.4974430 -0.9559724), wk = 0.0028409 k( 233) = ( 0.3040809 -0.5064874 -0.9733537), wk = 0.0028409 k( 234) = ( 0.3095110 -0.5155318 -0.9907350), wk = 0.0028409 k( 235) = ( 0.3149410 -0.5245763 -1.0081164), wk = 0.0028409 k( 236) = ( 0.3203710 -0.5336207 -1.0254977), wk = 0.0028409 k( 237) = ( 0.3258010 -0.5426651 -1.0428790), wk = 0.0028409 k( 238) = ( 0.3312310 -0.5517095 -1.0602603), wk = 0.0028409 k( 239) = ( 0.3366611 -0.5607539 -1.0776416), wk = 0.0028409 k( 240) = ( 0.3420911 -0.5697983 -1.0950229), wk = 0.0028409 k( 241) = ( 0.6579089 -0.4312327 -1.0109233), wk = 0.0028409 k( 242) = ( 0.6524638 -0.4115845 -1.0109233), wk = 0.0028409 k( 243) = ( 0.6470187 -0.3919363 -1.0109233), wk = 0.0028409 k( 244) = ( 0.6415735 -0.3722881 -1.0109233), wk = 0.0028409 k( 245) = ( 0.6361284 -0.3526398 -1.0109233), wk = 0.0028409 k( 246) = ( 0.6306833 -0.3329916 -1.0109233), wk = 0.0028409 k( 247) = ( 0.6252381 -0.3133434 -1.0109233), wk = 0.0028409 k( 248) = ( 0.6197930 -0.2936952 -1.0109233), wk = 0.0028409 k( 249) = ( 0.6143479 -0.2740470 -1.0109233), wk = 0.0028409 k( 250) = ( 0.6089027 -0.2543988 -1.0109233), wk = 0.0028409 k( 251) = ( 0.6034576 -0.2347505 -1.0109233), wk = 0.0028409 k( 252) = ( 0.5980124 -0.2151023 -1.0109233), wk = 0.0028409 k( 253) = ( 0.5925673 -0.1954541 -1.0109233), wk = 0.0028409 k( 254) = ( 0.5871222 -0.1758059 -1.0109233), wk = 0.0028409 k( 255) = ( 0.5816770 -0.1561577 -1.0109233), wk = 0.0028409 k( 256) = ( 0.5762319 -0.1365094 -1.0109233), wk = 0.0028409 k( 257) = ( 0.5707868 -0.1168612 -1.0109233), wk = 0.0028409 k( 258) = ( 0.5653416 -0.0972130 -1.0109233), wk = 0.0028409 k( 259) = ( 0.5598965 -0.0775648 -1.0109233), wk = 0.0028409 k( 260) = ( 0.5544514 -0.0579166 -1.0109233), wk = 0.0028409 k( 261) = ( 0.5490062 -0.0382683 -1.0109233), wk = 0.0028409 k( 262) = ( 0.5435611 -0.0186201 -1.0109233), wk = 0.0028409 k( 263) = ( 0.5381160 0.0010281 -1.0109233), wk = 0.0028409 k( 264) = ( 0.5326708 0.0206763 -1.0109233), wk = 0.0028409 k( 265) = ( 0.5272257 0.0403245 -1.0109233), wk = 0.0028409 k( 266) = ( 0.5217805 0.0599728 -1.0109233), wk = 0.0028409 k( 267) = ( 0.5163354 0.0796210 -1.0109233), wk = 0.0028409 k( 268) = ( 0.5108903 0.0992692 -1.0109233), wk = 0.0028409 k( 269) = ( 0.5054451 0.1189174 -1.0109233), wk = 0.0028409 k( 270) = ( 0.5000000 0.1385656 -1.0109233), wk = 0.0028409 k( 271) = ( 0.5000000 0.1385656 -1.0109233), wk = 0.0028409 k( 272) = ( 0.5157909 0.1429418 -1.0025133), wk = 0.0028409 k( 273) = ( 0.5315818 0.1473179 -0.9941033), wk = 0.0028409 k( 274) = ( 0.5473727 0.1516941 -0.9856934), wk = 0.0028409 k( 275) = ( 0.5631636 0.1560702 -0.9772834), wk = 0.0028409 k( 276) = ( 0.5789545 0.1604464 -0.9688734), wk = 0.0028409 k( 277) = ( 0.5947454 0.1648225 -0.9604635), wk = 0.0028409 k( 278) = ( 0.6105363 0.1691987 -0.9520535), wk = 0.0028409 k( 279) = ( 0.6263272 0.1735748 -0.9436435), wk = 0.0028409 k( 280) = ( 0.6421180 0.1779510 -0.9352336), wk = 0.0028409 k( 281) = ( 0.6579089 0.1823271 -0.9268236), wk = 0.0028409 k( 282) = ( 0.6579089 0.1823271 -0.9268236), wk = 0.0028409 k( 283) = ( 0.6548127 0.1814691 -0.9070016), wk = 0.0028409 k( 284) = ( 0.6517164 0.1806110 -0.8871796), wk = 0.0028409 k( 285) = ( 0.6486202 0.1797529 -0.8673575), wk = 0.0028409 k( 286) = ( 0.6455239 0.1788949 -0.8475355), wk = 0.0028409 k( 287) = ( 0.6424277 0.1780368 -0.8277135), wk = 0.0028409 k( 288) = ( 0.6393314 0.1771787 -0.8078915), wk = 0.0028409 k( 289) = ( 0.6362352 0.1763207 -0.7880694), wk = 0.0028409 k( 290) = ( 0.6331389 0.1754626 -0.7682474), wk = 0.0028409 k( 291) = ( 0.6300427 0.1746045 -0.7484254), wk = 0.0028409 k( 292) = ( 0.6269464 0.1737465 -0.7286034), wk = 0.0028409 k( 293) = ( 0.6238501 0.1728884 -0.7087813), wk = 0.0028409 k( 294) = ( 0.6207539 0.1720303 -0.6889593), wk = 0.0028409 k( 295) = ( 0.6176576 0.1711722 -0.6691373), wk = 0.0028409 k( 296) = ( 0.6145614 0.1703142 -0.6493153), wk = 0.0028409 k( 297) = ( 0.6114651 0.1694561 -0.6294932), wk = 0.0028409 k( 298) = ( 0.6083689 0.1685980 -0.6096712), wk = 0.0028409 k( 299) = ( 0.6052726 0.1677400 -0.5898492), wk = 0.0028409 k( 300) = ( 0.6021764 0.1668819 -0.5700271), wk = 0.0028409 k( 301) = ( 0.5990801 0.1660238 -0.5502051), wk = 0.0028409 k( 302) = ( 0.5959839 0.1651658 -0.5303831), wk = 0.0028409 k( 303) = ( 0.5928876 0.1643077 -0.5105611), wk = 0.0028409 k( 304) = ( 0.5897914 0.1634496 -0.4907391), wk = 0.0028409 k( 305) = ( 0.5866951 0.1625916 -0.4709170), wk = 0.0028409 k( 306) = ( 0.5835989 0.1617335 -0.4510950), wk = 0.0028409 k( 307) = ( 0.5805026 0.1608754 -0.4312730), wk = 0.0028409 k( 308) = ( 0.5774063 0.1600174 -0.4114509), wk = 0.0028409 k( 309) = ( 0.5743101 0.1591593 -0.3916289), wk = 0.0028409 k( 310) = ( 0.5712138 0.1583012 -0.3718069), wk = 0.0028409 k( 311) = ( 0.5681176 0.1574431 -0.3519849), wk = 0.0028409 k( 312) = ( 0.5650213 0.1565851 -0.3321629), wk = 0.0028409 k( 313) = ( 0.5619251 0.1557270 -0.3123408), wk = 0.0028409 k( 314) = ( 0.5588288 0.1548689 -0.2925188), wk = 0.0028409 k( 315) = ( 0.5557326 0.1540109 -0.2726968), wk = 0.0028409 k( 316) = ( 0.5526363 0.1531528 -0.2528747), wk = 0.0028409 k( 317) = ( 0.5495401 0.1522947 -0.2330527), wk = 0.0028409 k( 318) = ( 0.5464438 0.1514367 -0.2132307), wk = 0.0028409 k( 319) = ( 0.5433476 0.1505786 -0.1934087), wk = 0.0028409 k( 320) = ( 0.5402513 0.1497205 -0.1735867), wk = 0.0028409 k( 321) = ( 0.5371550 0.1488625 -0.1537646), wk = 0.0028409 k( 322) = ( 0.5340588 0.1480044 -0.1339426), wk = 0.0028409 k( 323) = ( 0.5309625 0.1471463 -0.1141206), wk = 0.0028409 k( 324) = ( 0.5278663 0.1462883 -0.0942986), wk = 0.0028409 k( 325) = ( 0.5247700 0.1454302 -0.0744765), wk = 0.0028409 k( 326) = ( 0.5216738 0.1445721 -0.0546545), wk = 0.0028409 k( 327) = ( 0.5185775 0.1437140 -0.0348325), wk = 0.0028409 k( 328) = ( 0.5154813 0.1428560 -0.0150105), wk = 0.0028409 k( 329) = ( 0.5123850 0.1419979 0.0048116), wk = 0.0028409 k( 330) = ( 0.5092888 0.1411398 0.0246336), wk = 0.0028409 k( 331) = ( 0.5061925 0.1402818 0.0444556), wk = 0.0028409 k( 332) = ( 0.5030963 0.1394237 0.0642776), wk = 0.0028409 k( 333) = ( 0.5000000 0.1385656 0.0840997), wk = 0.0028409 k( 334) = ( 0.5000000 -0.8328168 -0.5054616), wk = 0.0028409 k( 335) = ( 0.5175454 -0.8251187 -0.5007894), wk = 0.0028409 k( 336) = ( 0.5350909 -0.8174206 -0.4961172), wk = 0.0028409 k( 337) = ( 0.5526363 -0.8097225 -0.4914450), wk = 0.0028409 k( 338) = ( 0.5701818 -0.8020244 -0.4867728), wk = 0.0028409 k( 339) = ( 0.5877272 -0.7943263 -0.4821006), wk = 0.0028409 k( 340) = ( 0.6052726 -0.7866282 -0.4774284), wk = 0.0028409 k( 341) = ( 0.6228181 -0.7789301 -0.4727562), wk = 0.0028409 k( 342) = ( 0.6403635 -0.7712320 -0.4680840), wk = 0.0028409 k( 343) = ( 0.6579089 -0.7635340 -0.4634118), wk = 0.0028409 k( 344) = ( 0.6754544 -0.7558358 -0.4587396), wk = 0.0028409 k( 345) = ( 0.6929998 -0.7481378 -0.4540674), wk = 0.0028409 k( 346) = ( 0.7105453 -0.7404397 -0.4493952), wk = 0.0028409 k( 347) = ( 0.7280907 -0.7327416 -0.4447230), wk = 0.0028409 k( 348) = ( 0.7456361 -0.7250435 -0.4400508), wk = 0.0028409 k( 349) = ( 0.7631816 -0.7173454 -0.4353786), wk = 0.0028409 k( 350) = ( 0.7807270 -0.7096473 -0.4307064), wk = 0.0028409 k( 351) = ( 0.7982724 -0.7019492 -0.4260342), wk = 0.0028409 k( 352) = ( 0.8158179 -0.6942511 -0.4213620), wk = 0.0028409 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0092593 -0.0000000 0.0000000), wk = 0.0028409 k( 3) = ( 0.0185185 -0.0000000 0.0000000), wk = 0.0028409 k( 4) = ( 0.0277778 0.0000000 0.0000000), wk = 0.0028409 k( 5) = ( 0.0370370 -0.0000000 0.0000000), wk = 0.0028409 k( 6) = ( 0.0462963 -0.0000000 -0.0000000), wk = 0.0028409 k( 7) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0028409 k( 8) = ( 0.0648148 -0.0000000 -0.0000000), wk = 0.0028409 k( 9) = ( 0.0740741 0.0000000 -0.0000000), wk = 0.0028409 k( 10) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0028409 k( 11) = ( 0.0925926 0.0000000 0.0000000), wk = 0.0028409 k( 12) = ( 0.1018518 0.0000000 0.0000000), wk = 0.0028409 k( 13) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0028409 k( 14) = ( 0.1203704 0.0000000 -0.0000000), wk = 0.0028409 k( 15) = ( 0.1296296 0.0000000 -0.0000000), wk = 0.0028409 k( 16) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0028409 k( 17) = ( 0.1481482 -0.0000000 -0.0000000), wk = 0.0028409 k( 18) = ( 0.1574074 0.0000000 -0.0000000), wk = 0.0028409 k( 19) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0028409 k( 20) = ( 0.1759259 0.0000000 -0.0000000), wk = 0.0028409 k( 21) = ( 0.1851852 0.0000000 -0.0000000), wk = 0.0028409 k( 22) = ( 0.1944444 0.0000000 -0.0000000), wk = 0.0028409 k( 23) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0028409 k( 24) = ( 0.2129630 0.0000000 0.0000000), wk = 0.0028409 k( 25) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0028409 k( 26) = ( 0.2314815 0.0000000 -0.0000000), wk = 0.0028409 k( 27) = ( 0.2407407 0.0000000 -0.0000000), wk = 0.0028409 k( 28) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028409 k( 29) = ( 0.2592593 0.0000000 -0.0000000), wk = 0.0028409 k( 30) = ( 0.2685185 0.0000000 -0.0000000), wk = 0.0028409 k( 31) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0028409 k( 32) = ( 0.2870370 0.0000000 0.0000000), wk = 0.0028409 k( 33) = ( 0.2962963 -0.0000000 -0.0000000), wk = 0.0028409 k( 34) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0028409 k( 35) = ( 0.3148148 0.0000000 0.0000000), wk = 0.0028409 k( 36) = ( 0.3240741 0.0000000 0.0000000), wk = 0.0028409 k( 37) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0028409 k( 38) = ( 0.3425926 -0.0000000 -0.0000000), wk = 0.0028409 k( 39) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0028409 k( 40) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0028409 k( 41) = ( 0.3703704 0.0000000 -0.0000000), wk = 0.0028409 k( 42) = ( 0.3796296 0.0000000 0.0000000), wk = 0.0028409 k( 43) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0028409 k( 44) = ( 0.3981481 -0.0000000 0.0000000), wk = 0.0028409 k( 45) = ( 0.4074074 0.0000000 -0.0000000), wk = 0.0028409 k( 46) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0028409 k( 47) = ( 0.4259259 0.0000000 0.0000000), wk = 0.0028409 k( 48) = ( 0.4351852 -0.0000000 0.0000000), wk = 0.0028409 k( 49) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0028409 k( 50) = ( 0.4537037 -0.0000000 -0.0000000), wk = 0.0028409 k( 51) = ( 0.4629630 0.0000000 -0.0000000), wk = 0.0028409 k( 52) = ( 0.4722222 0.0000000 -0.0000000), wk = 0.0028409 k( 53) = ( 0.4814815 0.0000000 -0.0000000), wk = 0.0028409 k( 54) = ( 0.4907407 -0.0000000 -0.0000000), wk = 0.0028409 k( 55) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028409 k( 56) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028409 k( 57) = ( 0.5000000 0.0054171 -0.0054171), wk = 0.0028409 k( 58) = ( 0.5000000 0.0108342 -0.0108342), wk = 0.0028409 k( 59) = ( 0.5000000 0.0162514 -0.0162514), wk = 0.0028409 k( 60) = ( 0.5000000 0.0216685 -0.0216685), wk = 0.0028409 k( 61) = ( 0.5000000 0.0270856 -0.0270856), wk = 0.0028409 k( 62) = ( 0.5000000 0.0325027 -0.0325027), wk = 0.0028409 k( 63) = ( 0.5000000 0.0379198 -0.0379199), wk = 0.0028409 k( 64) = ( 0.5000000 0.0433370 -0.0433370), wk = 0.0028409 k( 65) = ( 0.5000000 0.0487541 -0.0487541), wk = 0.0028409 k( 66) = ( 0.5000000 0.0541712 -0.0541712), wk = 0.0028409 k( 67) = ( 0.5000000 0.0595883 -0.0595883), wk = 0.0028409 k( 68) = ( 0.5000000 0.0650055 -0.0650055), wk = 0.0028409 k( 69) = ( 0.5000000 0.0704226 -0.0704226), wk = 0.0028409 k( 70) = ( 0.5000000 0.0758397 -0.0758397), wk = 0.0028409 k( 71) = ( 0.5000000 0.0812568 -0.0812568), wk = 0.0028409 k( 72) = ( 0.5000000 0.0866739 -0.0866739), wk = 0.0028409 k( 73) = ( 0.5000000 0.0920911 -0.0920911), wk = 0.0028409 k( 74) = ( 0.5000000 0.0975082 -0.0975082), wk = 0.0028409 k( 75) = ( 0.5000000 0.1029253 -0.1029253), wk = 0.0028409 k( 76) = ( 0.5000000 0.1083424 -0.1083424), wk = 0.0028409 k( 77) = ( 0.5000000 0.1137596 -0.1137595), wk = 0.0028409 k( 78) = ( 0.5000000 0.1191767 -0.1191767), wk = 0.0028409 k( 79) = ( 0.5000000 0.1245938 -0.1245938), wk = 0.0028409 k( 80) = ( 0.5000000 0.1300109 -0.1300109), wk = 0.0028409 k( 81) = ( 0.5000000 0.1354280 -0.1354280), wk = 0.0028409 k( 82) = ( 0.5000000 0.1408452 -0.1408451), wk = 0.0028409 k( 83) = ( 0.5000000 0.1462623 -0.1462623), wk = 0.0028409 k( 84) = ( 0.5000000 0.1516794 -0.1516794), wk = 0.0028409 k( 85) = ( 0.5000000 0.1570965 -0.1570965), wk = 0.0028409 k( 86) = ( 0.5000000 0.1625136 -0.1625136), wk = 0.0028409 k( 87) = ( 0.5000000 0.1679308 -0.1679308), wk = 0.0028409 k( 88) = ( 0.5000000 0.1733479 -0.1733479), wk = 0.0028409 k( 89) = ( 0.5000000 0.1787650 -0.1787650), wk = 0.0028409 k( 90) = ( 0.5000000 0.1841821 -0.1841821), wk = 0.0028409 k( 91) = ( 0.8158179 0.5000000 0.1841821), wk = 0.0028409 k( 92) = ( 0.8103727 0.5000000 0.1896273), wk = 0.0028409 k( 93) = ( 0.8049276 0.5000000 0.1950724), wk = 0.0028409 k( 94) = ( 0.7994825 0.5000000 0.2005175), wk = 0.0028409 k( 95) = ( 0.7940373 0.5000000 0.2059627), wk = 0.0028409 k( 96) = ( 0.7885922 0.5000000 0.2114078), wk = 0.0028409 k( 97) = ( 0.7831471 0.5000000 0.2168529), wk = 0.0028409 k( 98) = ( 0.7777019 0.5000000 0.2222981), wk = 0.0028409 k( 99) = ( 0.7722568 0.5000000 0.2277432), wk = 0.0028409 k( 100) = ( 0.7668116 0.5000000 0.2331883), wk = 0.0028409 k( 101) = ( 0.7613665 0.5000000 0.2386335), wk = 0.0028409 k( 102) = ( 0.7559214 0.5000000 0.2440786), wk = 0.0028409 k( 103) = ( 0.7504762 0.5000000 0.2495237), wk = 0.0028409 k( 104) = ( 0.7450311 0.5000000 0.2549689), wk = 0.0028409 k( 105) = ( 0.7395860 0.5000000 0.2604140), wk = 0.0028409 k( 106) = ( 0.7341408 0.5000000 0.2658592), wk = 0.0028409 k( 107) = ( 0.7286957 0.5000000 0.2713043), wk = 0.0028409 k( 108) = ( 0.7232506 0.5000000 0.2767494), wk = 0.0028409 k( 109) = ( 0.7178054 0.5000000 0.2821946), wk = 0.0028409 k( 110) = ( 0.7123603 0.5000000 0.2876397), wk = 0.0028409 k( 111) = ( 0.7069152 0.5000000 0.2930848), wk = 0.0028409 k( 112) = ( 0.7014700 0.5000000 0.2985300), wk = 0.0028409 k( 113) = ( 0.6960249 0.5000000 0.3039751), wk = 0.0028409 k( 114) = ( 0.6905798 0.5000000 0.3094203), wk = 0.0028409 k( 115) = ( 0.6851346 0.5000000 0.3148654), wk = 0.0028409 k( 116) = ( 0.6796895 0.5000000 0.3203105), wk = 0.0028409 k( 117) = ( 0.6742443 0.5000000 0.3257557), wk = 0.0028409 k( 118) = ( 0.6687992 0.5000000 0.3312008), wk = 0.0028409 k( 119) = ( 0.6633541 0.5000000 0.3366459), wk = 0.0028409 k( 120) = ( 0.6579089 0.5000000 0.3420911), wk = 0.0028409 k( 121) = ( 0.6524638 0.5000000 0.3475362), wk = 0.0028409 k( 122) = ( 0.6470187 0.5000000 0.3529813), wk = 0.0028409 k( 123) = ( 0.6415735 0.5000000 0.3584265), wk = 0.0028409 k( 124) = ( 0.6361284 0.5000000 0.3638716), wk = 0.0028409 k( 125) = ( 0.6306833 0.5000000 0.3693167), wk = 0.0028409 k( 126) = ( 0.6252381 0.5000000 0.3747619), wk = 0.0028409 k( 127) = ( 0.6197930 0.5000000 0.3802070), wk = 0.0028409 k( 128) = ( 0.6143479 0.5000000 0.3856522), wk = 0.0028409 k( 129) = ( 0.6089027 0.5000000 0.3910973), wk = 0.0028409 k( 130) = ( 0.6034576 0.5000000 0.3965424), wk = 0.0028409 k( 131) = ( 0.5980124 0.5000000 0.4019876), wk = 0.0028409 k( 132) = ( 0.5925673 0.5000000 0.4074327), wk = 0.0028409 k( 133) = ( 0.5871222 0.5000000 0.4128778), wk = 0.0028409 k( 134) = ( 0.5816770 0.5000000 0.4183230), wk = 0.0028409 k( 135) = ( 0.5762319 0.5000000 0.4237681), wk = 0.0028409 k( 136) = ( 0.5707868 0.5000000 0.4292132), wk = 0.0028409 k( 137) = ( 0.5653416 0.5000000 0.4346584), wk = 0.0028409 k( 138) = ( 0.5598965 0.5000000 0.4401035), wk = 0.0028409 k( 139) = ( 0.5544514 0.5000000 0.4455486), wk = 0.0028409 k( 140) = ( 0.5490062 0.5000000 0.4509938), wk = 0.0028409 k( 141) = ( 0.5435611 0.5000000 0.4564389), wk = 0.0028409 k( 142) = ( 0.5381160 0.5000000 0.4618840), wk = 0.0028409 k( 143) = ( 0.5326708 0.5000000 0.4673292), wk = 0.0028409 k( 144) = ( 0.5272257 0.5000000 0.4727743), wk = 0.0028409 k( 145) = ( 0.5217805 0.5000000 0.4782195), wk = 0.0028409 k( 146) = ( 0.5163354 0.5000000 0.4836646), wk = 0.0028409 k( 147) = ( 0.5108903 0.5000000 0.4891097), wk = 0.0028409 k( 148) = ( 0.5054451 0.5000000 0.4945549), wk = 0.0028409 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 151) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0028409 k( 152) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0028409 k( 153) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0028409 k( 154) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0028409 k( 155) = ( 0.4038462 0.4038462 0.4038462), wk = 0.0028409 k( 156) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0028409 k( 157) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0028409 k( 158) = ( 0.3461538 0.3461539 0.3461538), wk = 0.0028409 k( 159) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0028409 k( 160) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0028409 k( 161) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0028409 k( 162) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0028409 k( 163) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028409 k( 164) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0028409 k( 165) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0028409 k( 166) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0028409 k( 167) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0028409 k( 168) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0028409 k( 169) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0028409 k( 170) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0028409 k( 171) = ( 0.0961538 0.0961538 0.0961539), wk = 0.0028409 k( 172) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0028409 k( 173) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0028409 k( 174) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0028409 k( 175) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0028409 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 178) = ( 0.0054300 0.0000000 -0.0054300), wk = 0.0028409 k( 179) = ( 0.0108600 0.0000000 -0.0108600), wk = 0.0028409 k( 180) = ( 0.0162901 -0.0000000 -0.0162901), wk = 0.0028409 k( 181) = ( 0.0217201 0.0000000 -0.0217201), wk = 0.0028409 k( 182) = ( 0.0271501 0.0000000 -0.0271501), wk = 0.0028409 k( 183) = ( 0.0325801 -0.0000000 -0.0325801), wk = 0.0028409 k( 184) = ( 0.0380101 0.0000000 -0.0380101), wk = 0.0028409 k( 185) = ( 0.0434401 0.0000000 -0.0434401), wk = 0.0028409 k( 186) = ( 0.0488702 0.0000000 -0.0488702), wk = 0.0028409 k( 187) = ( 0.0543002 -0.0000000 -0.0543002), wk = 0.0028409 k( 188) = ( 0.0597302 -0.0000000 -0.0597302), wk = 0.0028409 k( 189) = ( 0.0651602 -0.0000000 -0.0651602), wk = 0.0028409 k( 190) = ( 0.0705902 0.0000000 -0.0705902), wk = 0.0028409 k( 191) = ( 0.0760202 0.0000000 -0.0760202), wk = 0.0028409 k( 192) = ( 0.0814503 0.0000000 -0.0814503), wk = 0.0028409 k( 193) = ( 0.0868803 -0.0000000 -0.0868803), wk = 0.0028409 k( 194) = ( 0.0923103 0.0000000 -0.0923103), wk = 0.0028409 k( 195) = ( 0.0977403 0.0000000 -0.0977403), wk = 0.0028409 k( 196) = ( 0.1031703 0.0000000 -0.1031703), wk = 0.0028409 k( 197) = ( 0.1086003 -0.0000000 -0.1086003), wk = 0.0028409 k( 198) = ( 0.1140304 -0.0000000 -0.1140304), wk = 0.0028409 k( 199) = ( 0.1194604 0.0000000 -0.1194604), wk = 0.0028409 k( 200) = ( 0.1248904 0.0000000 -0.1248904), wk = 0.0028409 k( 201) = ( 0.1303204 -0.0000000 -0.1303204), wk = 0.0028409 k( 202) = ( 0.1357504 -0.0000000 -0.1357504), wk = 0.0028409 k( 203) = ( 0.1411804 0.0000000 -0.1411804), wk = 0.0028409 k( 204) = ( 0.1466105 0.0000000 -0.1466105), wk = 0.0028409 k( 205) = ( 0.1520405 -0.0000000 -0.1520405), wk = 0.0028409 k( 206) = ( 0.1574705 -0.0000000 -0.1574705), wk = 0.0028409 k( 207) = ( 0.1629005 -0.0000000 -0.1629005), wk = 0.0028409 k( 208) = ( 0.1683305 0.0000000 -0.1683305), wk = 0.0028409 k( 209) = ( 0.1737605 -0.0000000 -0.1737605), wk = 0.0028409 k( 210) = ( 0.1791906 -0.0000000 -0.1791906), wk = 0.0028409 k( 211) = ( 0.1846206 0.0000000 -0.1846206), wk = 0.0028409 k( 212) = ( 0.1900506 -0.0000000 -0.1900506), wk = 0.0028409 k( 213) = ( 0.1954806 -0.0000000 -0.1954806), wk = 0.0028409 k( 214) = ( 0.2009106 0.0000000 -0.2009106), wk = 0.0028409 k( 215) = ( 0.2063406 0.0000000 -0.2063406), wk = 0.0028409 k( 216) = ( 0.2117707 -0.0000000 -0.2117707), wk = 0.0028409 k( 217) = ( 0.2172007 0.0000000 -0.2172007), wk = 0.0028409 k( 218) = ( 0.2226307 0.0000000 -0.2226307), wk = 0.0028409 k( 219) = ( 0.2280607 0.0000000 -0.2280607), wk = 0.0028409 k( 220) = ( 0.2334907 -0.0000000 -0.2334907), wk = 0.0028409 k( 221) = ( 0.2389207 0.0000000 -0.2389207), wk = 0.0028409 k( 222) = ( 0.2443508 0.0000000 -0.2443508), wk = 0.0028409 k( 223) = ( 0.2497808 0.0000000 -0.2497808), wk = 0.0028409 k( 224) = ( 0.2552108 0.0000000 -0.2552108), wk = 0.0028409 k( 225) = ( 0.2606408 0.0000000 -0.2606408), wk = 0.0028409 k( 226) = ( 0.2660708 0.0000000 -0.2660708), wk = 0.0028409 k( 227) = ( 0.2715008 -0.0000000 -0.2715008), wk = 0.0028409 k( 228) = ( 0.2769309 0.0000000 -0.2769309), wk = 0.0028409 k( 229) = ( 0.2823609 0.0000000 -0.2823609), wk = 0.0028409 k( 230) = ( 0.2877909 0.0000000 -0.2877909), wk = 0.0028409 k( 231) = ( 0.2932209 0.0000000 -0.2932209), wk = 0.0028409 k( 232) = ( 0.2986509 0.0000000 -0.2986509), wk = 0.0028409 k( 233) = ( 0.3040809 -0.0000000 -0.3040809), wk = 0.0028409 k( 234) = ( 0.3095110 -0.0000000 -0.3095110), wk = 0.0028409 k( 235) = ( 0.3149410 -0.0000000 -0.3149410), wk = 0.0028409 k( 236) = ( 0.3203710 0.0000000 -0.3203710), wk = 0.0028409 k( 237) = ( 0.3258010 0.0000000 -0.3258010), wk = 0.0028409 k( 238) = ( 0.3312310 0.0000000 -0.3312310), wk = 0.0028409 k( 239) = ( 0.3366611 0.0000000 -0.3366611), wk = 0.0028409 k( 240) = ( 0.3420911 -0.0000000 -0.3420911), wk = 0.0028409 k( 241) = ( 0.6579089 0.3420911 -0.0000000), wk = 0.0028409 k( 242) = ( 0.6524638 0.3475362 -0.0000000), wk = 0.0028409 k( 243) = ( 0.6470187 0.3529813 0.0000000), wk = 0.0028409 k( 244) = ( 0.6415735 0.3584265 0.0000000), wk = 0.0028409 k( 245) = ( 0.6361284 0.3638716 -0.0000000), wk = 0.0028409 k( 246) = ( 0.6306833 0.3693167 0.0000000), wk = 0.0028409 k( 247) = ( 0.6252381 0.3747619 0.0000000), wk = 0.0028409 k( 248) = ( 0.6197930 0.3802070 0.0000000), wk = 0.0028409 k( 249) = ( 0.6143479 0.3856522 -0.0000000), wk = 0.0028409 k( 250) = ( 0.6089027 0.3910973 0.0000000), wk = 0.0028409 k( 251) = ( 0.6034576 0.3965424 -0.0000000), wk = 0.0028409 k( 252) = ( 0.5980124 0.4019876 0.0000000), wk = 0.0028409 k( 253) = ( 0.5925673 0.4074327 -0.0000000), wk = 0.0028409 k( 254) = ( 0.5871222 0.4128778 0.0000000), wk = 0.0028409 k( 255) = ( 0.5816770 0.4183230 0.0000000), wk = 0.0028409 k( 256) = ( 0.5762319 0.4237681 0.0000000), wk = 0.0028409 k( 257) = ( 0.5707868 0.4292132 -0.0000000), wk = 0.0028409 k( 258) = ( 0.5653416 0.4346584 -0.0000000), wk = 0.0028409 k( 259) = ( 0.5598965 0.4401035 -0.0000000), wk = 0.0028409 k( 260) = ( 0.5544514 0.4455486 -0.0000000), wk = 0.0028409 k( 261) = ( 0.5490062 0.4509938 -0.0000000), wk = 0.0028409 k( 262) = ( 0.5435611 0.4564389 -0.0000000), wk = 0.0028409 k( 263) = ( 0.5381160 0.4618841 0.0000000), wk = 0.0028409 k( 264) = ( 0.5326708 0.4673292 0.0000000), wk = 0.0028409 k( 265) = ( 0.5272257 0.4727743 0.0000000), wk = 0.0028409 k( 266) = ( 0.5217805 0.4782195 -0.0000000), wk = 0.0028409 k( 267) = ( 0.5163354 0.4836646 0.0000000), wk = 0.0028409 k( 268) = ( 0.5108903 0.4891097 -0.0000000), wk = 0.0028409 k( 269) = ( 0.5054451 0.4945549 -0.0000000), wk = 0.0028409 k( 270) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 271) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 272) = ( 0.5157909 0.5157909 0.0184182), wk = 0.0028409 k( 273) = ( 0.5315818 0.5315818 0.0368364), wk = 0.0028409 k( 274) = ( 0.5473727 0.5473727 0.0552546), wk = 0.0028409 k( 275) = ( 0.5631636 0.5631636 0.0736729), wk = 0.0028409 k( 276) = ( 0.5789545 0.5789545 0.0920911), wk = 0.0028409 k( 277) = ( 0.5947454 0.5947454 0.1105093), wk = 0.0028409 k( 278) = ( 0.6105363 0.6105363 0.1289275), wk = 0.0028409 k( 279) = ( 0.6263272 0.6263272 0.1473457), wk = 0.0028409 k( 280) = ( 0.6421180 0.6421180 0.1657639), wk = 0.0028409 k( 281) = ( 0.6579089 0.6579089 0.1841821), wk = 0.0028409 k( 282) = ( 0.6579089 0.6579089 0.1841821), wk = 0.0028409 k( 283) = ( 0.6548127 0.6548127 0.1903746), wk = 0.0028409 k( 284) = ( 0.6517164 0.6517164 0.1965671), wk = 0.0028409 k( 285) = ( 0.6486202 0.6486202 0.2027597), wk = 0.0028409 k( 286) = ( 0.6455239 0.6455239 0.2089522), wk = 0.0028409 k( 287) = ( 0.6424277 0.6424277 0.2151447), wk = 0.0028409 k( 288) = ( 0.6393314 0.6393314 0.2213372), wk = 0.0028409 k( 289) = ( 0.6362352 0.6362352 0.2275297), wk = 0.0028409 k( 290) = ( 0.6331389 0.6331389 0.2337222), wk = 0.0028409 k( 291) = ( 0.6300427 0.6300427 0.2399147), wk = 0.0028409 k( 292) = ( 0.6269464 0.6269464 0.2461072), wk = 0.0028409 k( 293) = ( 0.6238501 0.6238501 0.2522997), wk = 0.0028409 k( 294) = ( 0.6207539 0.6207539 0.2584922), wk = 0.0028409 k( 295) = ( 0.6176576 0.6176576 0.2646847), wk = 0.0028409 k( 296) = ( 0.6145614 0.6145614 0.2708772), wk = 0.0028409 k( 297) = ( 0.6114651 0.6114651 0.2770697), wk = 0.0028409 k( 298) = ( 0.6083689 0.6083689 0.2832622), wk = 0.0028409 k( 299) = ( 0.6052726 0.6052726 0.2894548), wk = 0.0028409 k( 300) = ( 0.6021764 0.6021764 0.2956473), wk = 0.0028409 k( 301) = ( 0.5990801 0.5990801 0.3018398), wk = 0.0028409 k( 302) = ( 0.5959839 0.5959839 0.3080323), wk = 0.0028409 k( 303) = ( 0.5928876 0.5928876 0.3142248), wk = 0.0028409 k( 304) = ( 0.5897914 0.5897914 0.3204173), wk = 0.0028409 k( 305) = ( 0.5866951 0.5866951 0.3266098), wk = 0.0028409 k( 306) = ( 0.5835989 0.5835989 0.3328023), wk = 0.0028409 k( 307) = ( 0.5805026 0.5805026 0.3389948), wk = 0.0028409 k( 308) = ( 0.5774063 0.5774063 0.3451873), wk = 0.0028409 k( 309) = ( 0.5743101 0.5743101 0.3513798), wk = 0.0028409 k( 310) = ( 0.5712138 0.5712138 0.3575723), wk = 0.0028409 k( 311) = ( 0.5681176 0.5681176 0.3637648), wk = 0.0028409 k( 312) = ( 0.5650213 0.5650213 0.3699574), wk = 0.0028409 k( 313) = ( 0.5619251 0.5619251 0.3761499), wk = 0.0028409 k( 314) = ( 0.5588288 0.5588288 0.3823424), wk = 0.0028409 k( 315) = ( 0.5557326 0.5557326 0.3885349), wk = 0.0028409 k( 316) = ( 0.5526363 0.5526363 0.3947274), wk = 0.0028409 k( 317) = ( 0.5495401 0.5495401 0.4009199), wk = 0.0028409 k( 318) = ( 0.5464438 0.5464438 0.4071124), wk = 0.0028409 k( 319) = ( 0.5433476 0.5433476 0.4133049), wk = 0.0028409 k( 320) = ( 0.5402513 0.5402513 0.4194974), wk = 0.0028409 k( 321) = ( 0.5371550 0.5371550 0.4256899), wk = 0.0028409 k( 322) = ( 0.5340588 0.5340588 0.4318824), wk = 0.0028409 k( 323) = ( 0.5309625 0.5309625 0.4380749), wk = 0.0028409 k( 324) = ( 0.5278663 0.5278663 0.4442674), wk = 0.0028409 k( 325) = ( 0.5247700 0.5247700 0.4504599), wk = 0.0028409 k( 326) = ( 0.5216738 0.5216738 0.4566525), wk = 0.0028409 k( 327) = ( 0.5185775 0.5185775 0.4628450), wk = 0.0028409 k( 328) = ( 0.5154813 0.5154813 0.4690375), wk = 0.0028409 k( 329) = ( 0.5123850 0.5123850 0.4752300), wk = 0.0028409 k( 330) = ( 0.5092888 0.5092888 0.4814225), wk = 0.0028409 k( 331) = ( 0.5061925 0.5061925 0.4876150), wk = 0.0028409 k( 332) = ( 0.5030963 0.5030963 0.4938075), wk = 0.0028409 k( 333) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 334) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028409 k( 335) = ( 0.5175454 0.0190051 0.0190051), wk = 0.0028409 k( 336) = ( 0.5350909 0.0380101 0.0380101), wk = 0.0028409 k( 337) = ( 0.5526363 0.0570152 0.0570152), wk = 0.0028409 k( 338) = ( 0.5701818 0.0760202 0.0760202), wk = 0.0028409 k( 339) = ( 0.5877272 0.0950253 0.0950253), wk = 0.0028409 k( 340) = ( 0.6052726 0.1140304 0.1140304), wk = 0.0028409 k( 341) = ( 0.6228181 0.1330354 0.1330354), wk = 0.0028409 k( 342) = ( 0.6403635 0.1520405 0.1520405), wk = 0.0028409 k( 343) = ( 0.6579089 0.1710455 0.1710455), wk = 0.0028409 k( 344) = ( 0.6754544 0.1900506 0.1900506), wk = 0.0028409 k( 345) = ( 0.6929998 0.2090557 0.2090557), wk = 0.0028409 k( 346) = ( 0.7105453 0.2280607 0.2280607), wk = 0.0028409 k( 347) = ( 0.7280907 0.2470658 0.2470658), wk = 0.0028409 k( 348) = ( 0.7456361 0.2660708 0.2660708), wk = 0.0028409 k( 349) = ( 0.7631816 0.2850759 0.2850759), wk = 0.0028409 k( 350) = ( 0.7807270 0.3040809 0.3040809), wk = 0.0028409 k( 351) = ( 0.7982724 0.3230860 0.3230860), wk = 0.0028409 k( 352) = ( 0.8158179 0.3420911 0.3420911), wk = 0.0028409 Dense grid: 41245 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 18237 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 134, 42) NL pseudopotentials 0.10 Mb ( 67, 96) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1146) G-vector shells 0.01 Mb ( 957) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 134, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 96, 2, 42) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./KTlO2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 6.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 7.8 secs Computing kpt #: 7 total cpu time spent up to now is 8.3 secs Computing kpt #: 8 total cpu time spent up to now is 8.8 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 9.7 secs Computing kpt #: 11 total cpu time spent up to now is 10.2 secs Computing kpt #: 12 total cpu time spent up to now is 10.6 secs Computing kpt #: 13 total cpu time spent up to now is 11.0 secs Computing kpt #: 14 total cpu time spent up to now is 11.5 secs Computing kpt #: 15 total cpu time spent up to now is 11.9 secs Computing kpt #: 16 total cpu time spent up to now is 12.3 secs Computing kpt #: 17 total cpu time spent up to now is 12.7 secs Computing kpt #: 18 total cpu time spent up to now is 13.2 secs Computing kpt #: 19 total cpu time spent up to now is 13.6 secs Computing kpt #: 20 total cpu time spent up to now is 14.0 secs Computing kpt #: 21 total cpu time spent up to now is 14.4 secs Computing kpt #: 22 total cpu time spent up to now is 14.8 secs Computing kpt #: 23 total cpu time spent up to now is 15.2 secs Computing kpt #: 24 total cpu time spent up to now is 15.7 secs Computing kpt #: 25 total cpu time spent up to now is 16.1 secs Computing kpt #: 26 total cpu time spent up to now is 16.5 secs Computing kpt #: 27 total cpu time spent up to now is 16.9 secs Computing kpt #: 28 total cpu time spent up to now is 17.3 secs Computing kpt #: 29 total cpu time spent up to now is 17.7 secs Computing kpt #: 30 total cpu time spent up to now is 18.1 secs Computing kpt #: 31 total cpu time spent up to now is 18.5 secs Computing kpt #: 32 total cpu time spent up to now is 18.9 secs Computing kpt #: 33 total cpu time spent up to now is 19.3 secs Computing kpt #: 34 total cpu time spent up to now is 19.7 secs Computing kpt #: 35 total cpu time spent up to now is 20.2 secs Computing kpt #: 36 total cpu time spent up to now is 20.6 secs Computing kpt #: 37 total cpu time spent up to now is 21.0 secs Computing kpt #: 38 total cpu time spent up to now is 21.4 secs Computing kpt #: 39 total cpu time spent up to now is 21.8 secs Computing kpt #: 40 total cpu time spent up to now is 22.2 secs Computing kpt #: 41 total cpu time spent up to now is 22.6 secs Computing kpt #: 42 total cpu time spent up to now is 23.0 secs Computing kpt #: 43 total cpu time spent up to now is 23.4 secs Computing kpt #: 44 total cpu time spent up to now is 23.8 secs Computing kpt #: 45 total cpu time spent up to now is 24.2 secs Computing kpt #: 46 total cpu time spent up to now is 24.6 secs Computing kpt #: 47 total cpu time spent up to now is 25.1 secs Computing kpt #: 48 total cpu time spent up to now is 25.5 secs Computing kpt #: 49 total cpu time spent up to now is 25.9 secs Computing kpt #: 50 total cpu time spent up to now is 26.3 secs Computing kpt #: 51 total cpu time spent up to now is 26.7 secs Computing kpt #: 52 total cpu time spent up to now is 27.1 secs Computing kpt #: 53 total cpu time spent up to now is 27.5 secs Computing kpt #: 54 total cpu time spent up to now is 27.9 secs Computing kpt #: 55 total cpu time spent up to now is 28.4 secs Computing kpt #: 56 total cpu time spent up to now is 28.8 secs Computing kpt #: 57 total cpu time spent up to now is 29.2 secs Computing kpt #: 58 total cpu time spent up to now is 29.6 secs Computing kpt #: 59 total cpu time spent up to now is 30.0 secs Computing kpt #: 60 total cpu time spent up to now is 30.4 secs Computing kpt #: 61 total cpu time spent up to now is 30.8 secs Computing kpt #: 62 total cpu time spent up to now is 31.3 secs Computing kpt #: 63 total cpu time spent up to now is 31.7 secs Computing kpt #: 64 total cpu time spent up to now is 32.1 secs Computing kpt #: 65 total cpu time spent up to now is 32.5 secs Computing kpt #: 66 total cpu time spent up to now is 32.9 secs Computing kpt #: 67 total cpu time spent up to now is 33.4 secs Computing kpt #: 68 total cpu time spent up to now is 33.8 secs Computing kpt #: 69 total cpu time spent up to now is 34.2 secs Computing kpt #: 70 total cpu time spent up to now is 34.6 secs Computing kpt #: 71 total cpu time spent up to now is 35.0 secs Computing kpt #: 72 total cpu time spent up to now is 35.5 secs Computing kpt #: 73 total cpu time spent up to now is 35.9 secs Computing kpt #: 74 total cpu time spent up to now is 36.3 secs Computing kpt #: 75 total cpu time spent up to now is 36.7 secs Computing kpt #: 76 total cpu time spent up to now is 37.1 secs Computing kpt #: 77 total cpu time spent up to now is 37.6 secs Computing kpt #: 78 total cpu time spent up to now is 38.0 secs Computing kpt #: 79 total cpu time spent up to now is 38.4 secs Computing kpt #: 80 total cpu time spent up to now is 38.8 secs Computing kpt #: 81 total cpu time spent up to now is 39.2 secs Computing kpt #: 82 total cpu time spent up to now is 39.7 secs Computing kpt #: 83 total cpu time spent up to now is 40.1 secs Computing kpt #: 84 total cpu time spent up to now is 40.5 secs Computing kpt #: 85 total cpu time spent up to now is 40.9 secs Computing kpt #: 86 total cpu time spent up to now is 41.3 secs Computing kpt #: 87 total cpu time spent up to now is 41.8 secs Computing kpt #: 88 total cpu time spent up to now is 42.2 secs Computing kpt #: 89 total cpu time spent up to now is 42.6 secs Computing kpt #: 90 total cpu time spent up to now is 43.1 secs Computing kpt #: 91 total cpu time spent up to now is 43.5 secs Computing kpt #: 92 total cpu time spent up to now is 43.9 secs Computing kpt #: 93 total cpu time spent up to now is 44.4 secs Computing kpt #: 94 total cpu time spent up to now is 44.8 secs Computing kpt #: 95 total cpu time spent up to now is 45.2 secs Computing kpt #: 96 total cpu time spent up to now is 45.7 secs Computing kpt #: 97 total cpu time spent up to now is 46.1 secs Computing kpt #: 98 total cpu time spent up to now is 46.5 secs Computing kpt #: 99 total cpu time spent up to now is 47.0 secs Computing kpt #: 100 total cpu time spent up to now is 47.4 secs Computing kpt #: 101 total cpu time spent up to now is 47.8 secs Computing kpt #: 102 total cpu time spent up to now is 48.3 secs Computing kpt #: 103 total cpu time spent up to now is 48.7 secs Computing kpt #: 104 total cpu time spent up to now is 49.1 secs Computing kpt #: 105 total cpu time spent up to now is 49.5 secs Computing kpt #: 106 total cpu time spent up to now is 50.0 secs Computing kpt #: 107 total cpu time spent up to now is 50.4 secs Computing kpt #: 108 total cpu time spent up to now is 50.8 secs Computing kpt #: 109 total cpu time spent up to now is 51.3 secs Computing kpt #: 110 total cpu time spent up to now is 51.7 secs Computing kpt #: 111 total cpu time spent up to now is 52.1 secs Computing kpt #: 112 total cpu time spent up to now is 52.5 secs Computing kpt #: 113 total cpu time spent up to now is 53.0 secs Computing kpt #: 114 total cpu time spent up to now is 53.4 secs Computing kpt #: 115 total cpu time spent up to now is 53.8 secs Computing kpt #: 116 total cpu time spent up to now is 54.2 secs Computing kpt #: 117 total cpu time spent up to now is 54.7 secs Computing kpt #: 118 total cpu time spent up to now is 55.1 secs Computing kpt #: 119 total cpu time spent up to now is 55.5 secs Computing kpt #: 120 total cpu time spent up to now is 55.9 secs Computing kpt #: 121 total cpu time spent up to now is 56.3 secs Computing kpt #: 122 total cpu time spent up to now is 56.7 secs Computing kpt #: 123 total cpu time spent up to now is 57.2 secs Computing kpt #: 124 total cpu time spent up to now is 57.6 secs Computing kpt #: 125 total cpu time spent up to now is 58.0 secs Computing kpt #: 126 total cpu time spent up to now is 58.4 secs Computing kpt #: 127 total cpu time spent up to now is 58.8 secs Computing kpt #: 128 total cpu time spent up to now is 59.2 secs Computing kpt #: 129 total cpu time spent up to now is 59.6 secs Computing kpt #: 130 total cpu time spent up to now is 60.0 secs Computing kpt #: 131 total cpu time spent up to now is 60.4 secs Computing kpt #: 132 total cpu time spent up to now is 60.8 secs Computing kpt #: 133 total cpu time spent up to now is 61.2 secs Computing kpt #: 134 total cpu time spent up to now is 61.6 secs Computing kpt #: 135 total cpu time spent up to now is 62.1 secs Computing kpt #: 136 total cpu time spent up to now is 62.5 secs Computing kpt #: 137 total cpu time spent up to now is 62.9 secs Computing kpt #: 138 total cpu time spent up to now is 63.3 secs Computing kpt #: 139 total cpu time spent up to now is 63.7 secs Computing kpt #: 140 total cpu time spent up to now is 64.1 secs Computing kpt #: 141 total cpu time spent up to now is 64.6 secs Computing kpt #: 142 total cpu time spent up to now is 65.1 secs Computing kpt #: 143 total cpu time spent up to now is 65.5 secs Computing kpt #: 144 total cpu time spent up to now is 66.0 secs Computing kpt #: 145 total cpu time spent up to now is 66.5 secs Computing kpt #: 146 total cpu time spent up to now is 67.0 secs Computing kpt #: 147 total cpu time spent up to now is 67.5 secs Computing kpt #: 148 total cpu time spent up to now is 67.9 secs Computing kpt #: 149 total cpu time spent up to now is 68.4 secs Computing kpt #: 150 total cpu time spent up to now is 68.9 secs Computing kpt #: 151 total cpu time spent up to now is 69.4 secs Computing kpt #: 152 total cpu time spent up to now is 69.9 secs Computing kpt #: 153 total cpu time spent up to now is 70.4 secs Computing kpt #: 154 total cpu time spent up to now is 70.9 secs Computing kpt #: 155 total cpu time spent up to now is 71.4 secs Computing kpt #: 156 total cpu time spent up to now is 72.0 secs Computing kpt #: 157 total cpu time spent up to now is 72.5 secs Computing kpt #: 158 total cpu time spent up to now is 73.4 secs Computing kpt #: 159 total cpu time spent up to now is 73.9 secs Computing kpt #: 160 total cpu time spent up to now is 74.3 secs Computing kpt #: 161 total cpu time spent up to now is 74.9 secs Computing kpt #: 162 total cpu time spent up to now is 75.4 secs Computing kpt #: 163 total cpu time spent up to now is 75.9 secs Computing kpt #: 164 total cpu time spent up to now is 76.4 secs Computing kpt #: 165 total cpu time spent up to now is 76.9 secs Computing kpt #: 166 total cpu time spent up to now is 77.4 secs Computing kpt #: 167 total cpu time spent up to now is 77.9 secs Computing kpt #: 168 total cpu time spent up to now is 78.3 secs Computing kpt #: 169 total cpu time spent up to now is 78.8 secs Computing kpt #: 170 total cpu time spent up to now is 79.4 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.6 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.8 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.0 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.2 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.4 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.6 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.9 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.1 secs Computing kpt #: 179 total cpu time spent up to now is 89.6 secs Computing kpt #: 180 total cpu time spent up to now is 90.1 secs Computing kpt #: 181 total cpu time spent up to now is 90.6 secs Computing kpt #: 182 total cpu time spent up to now is 91.1 secs Computing kpt #: 183 total cpu time spent up to now is 91.6 secs Computing kpt #: 184 total cpu time spent up to now is 92.1 secs Computing kpt #: 185 total cpu time spent up to now is 92.6 secs Computing kpt #: 186 total cpu time spent up to now is 93.0 secs Computing kpt #: 187 total cpu time spent up to now is 93.5 secs Computing kpt #: 188 total cpu time spent up to now is 94.0 secs Computing kpt #: 189 total cpu time spent up to now is 94.5 secs Computing kpt #: 190 total cpu time spent up to now is 94.9 secs Computing kpt #: 191 total cpu time spent up to now is 95.3 secs Computing kpt #: 192 total cpu time spent up to now is 95.8 secs Computing kpt #: 193 total cpu time spent up to now is 96.2 secs Computing kpt #: 194 total cpu time spent up to now is 96.6 secs Computing kpt #: 195 total cpu time spent up to now is 97.0 secs Computing kpt #: 196 total cpu time spent up to now is 97.4 secs Computing kpt #: 197 total cpu time spent up to now is 97.9 secs Computing kpt #: 198 total cpu time spent up to now is 98.3 secs Computing kpt #: 199 total cpu time spent up to now is 98.7 secs Computing kpt #: 200 total cpu time spent up to now is 99.1 secs Computing kpt #: 201 total cpu time spent up to now is 99.5 secs Computing kpt #: 202 total cpu time spent up to now is 99.9 secs Computing kpt #: 203 total cpu time spent up to now is 100.3 secs Computing kpt #: 204 total cpu time spent up to now is 100.7 secs Computing kpt #: 205 total cpu time spent up to now is 101.1 secs Computing kpt #: 206 total cpu time spent up to now is 101.5 secs Computing kpt #: 207 total cpu time spent up to now is 101.9 secs Computing kpt #: 208 total cpu time spent up to now is 102.3 secs Computing kpt #: 209 total cpu time spent up to now is 102.7 secs Computing kpt #: 210 total cpu time spent up to now is 103.1 secs Computing kpt #: 211 total cpu time spent up to now is 103.5 secs Computing kpt #: 212 total cpu time spent up to now is 103.9 secs Computing kpt #: 213 total cpu time spent up to now is 104.4 secs Computing kpt #: 214 total cpu time spent up to now is 104.8 secs Computing kpt #: 215 total cpu time spent up to now is 105.2 secs Computing kpt #: 216 total cpu time spent up to now is 105.6 secs Computing kpt #: 217 total cpu time spent up to now is 106.1 secs Computing kpt #: 218 total cpu time spent up to now is 106.5 secs Computing kpt #: 219 total cpu time spent up to now is 107.0 secs Computing kpt #: 220 total cpu time spent up to now is 107.4 secs Computing kpt #: 221 total cpu time spent up to now is 107.8 secs Computing kpt #: 222 total cpu time spent up to now is 108.3 secs Computing kpt #: 223 total cpu time spent up to now is 108.7 secs Computing kpt #: 224 total cpu time spent up to now is 109.1 secs Computing kpt #: 225 total cpu time spent up to now is 109.6 secs Computing kpt #: 226 total cpu time spent up to now is 110.0 secs Computing kpt #: 227 total cpu time spent up to now is 110.4 secs Computing kpt #: 228 total cpu time spent up to now is 110.9 secs Computing kpt #: 229 total cpu time spent up to now is 111.3 secs Computing kpt #: 230 total cpu time spent up to now is 111.7 secs Computing kpt #: 231 total cpu time spent up to now is 112.1 secs Computing kpt #: 232 total cpu time spent up to now is 112.5 secs Computing kpt #: 233 total cpu time spent up to now is 112.9 secs Computing kpt #: 234 total cpu time spent up to now is 113.3 secs Computing kpt #: 235 total cpu time spent up to now is 113.8 secs Computing kpt #: 236 total cpu time spent up to now is 114.2 secs Computing kpt #: 237 total cpu time spent up to now is 114.6 secs Computing kpt #: 238 total cpu time spent up to now is 115.0 secs Computing kpt #: 239 total cpu time spent up to now is 115.4 secs Computing kpt #: 240 total cpu time spent up to now is 115.9 secs Computing kpt #: 241 total cpu time spent up to now is 116.3 secs Computing kpt #: 242 total cpu time spent up to now is 116.7 secs Computing kpt #: 243 total cpu time spent up to now is 117.2 secs Computing kpt #: 244 total cpu time spent up to now is 117.6 secs Computing kpt #: 245 total cpu time spent up to now is 118.1 secs Computing kpt #: 246 total cpu time spent up to now is 118.5 secs Computing kpt #: 247 total cpu time spent up to now is 118.9 secs Computing kpt #: 248 total cpu time spent up to now is 119.3 secs Computing kpt #: 249 total cpu time spent up to now is 119.8 secs Computing kpt #: 250 total cpu time spent up to now is 120.2 secs Computing kpt #: 251 total cpu time spent up to now is 120.6 secs Computing kpt #: 252 total cpu time spent up to now is 121.0 secs Computing kpt #: 253 total cpu time spent up to now is 121.4 secs Computing kpt #: 254 total cpu time spent up to now is 121.9 secs Computing kpt #: 255 total cpu time spent up to now is 122.3 secs Computing kpt #: 256 total cpu time spent up to now is 122.7 secs Computing kpt #: 257 total cpu time spent up to now is 123.1 secs Computing kpt #: 258 total cpu time spent up to now is 123.5 secs Computing kpt #: 259 total cpu time spent up to now is 123.9 secs Computing kpt #: 260 total cpu time spent up to now is 124.3 secs Computing kpt #: 261 total cpu time spent up to now is 124.7 secs Computing kpt #: 262 total cpu time spent up to now is 125.1 secs Computing kpt #: 263 total cpu time spent up to now is 125.5 secs Computing kpt #: 264 total cpu time spent up to now is 125.9 secs Computing kpt #: 265 total cpu time spent up to now is 126.3 secs Computing kpt #: 266 total cpu time spent up to now is 126.7 secs Computing kpt #: 267 total cpu time spent up to now is 127.1 secs Computing kpt #: 268 total cpu time spent up to now is 127.5 secs Computing kpt #: 269 total cpu time spent up to now is 127.9 secs Computing kpt #: 270 total cpu time spent up to now is 128.3 secs Computing kpt #: 271 total cpu time spent up to now is 128.7 secs Computing kpt #: 272 total cpu time spent up to now is 129.1 secs Computing kpt #: 273 total cpu time spent up to now is 129.5 secs Computing kpt #: 274 total cpu time spent up to now is 129.9 secs Computing kpt #: 275 total cpu time spent up to now is 130.3 secs Computing kpt #: 276 total cpu time spent up to now is 130.7 secs Computing kpt #: 277 total cpu time spent up to now is 131.1 secs Computing kpt #: 278 total cpu time spent up to now is 131.5 secs Computing kpt #: 279 total cpu time spent up to now is 131.9 secs Computing kpt #: 280 total cpu time spent up to now is 132.3 secs Computing kpt #: 281 total cpu time spent up to now is 132.7 secs Computing kpt #: 282 total cpu time spent up to now is 133.1 secs Computing kpt #: 283 total cpu time spent up to now is 133.5 secs Computing kpt #: 284 total cpu time spent up to now is 133.9 secs Computing kpt #: 285 total cpu time spent up to now is 134.3 secs Computing kpt #: 286 total cpu time spent up to now is 134.7 secs Computing kpt #: 287 total cpu time spent up to now is 135.1 secs Computing kpt #: 288 total cpu time spent up to now is 135.5 secs Computing kpt #: 289 total cpu time spent up to now is 135.9 secs Computing kpt #: 290 total cpu time spent up to now is 136.3 secs Computing kpt #: 291 total cpu time spent up to now is 136.7 secs Computing kpt #: 292 total cpu time spent up to now is 137.1 secs Computing kpt #: 293 total cpu time spent up to now is 137.5 secs Computing kpt #: 294 total cpu time spent up to now is 137.9 secs Computing kpt #: 295 total cpu time spent up to now is 138.3 secs Computing kpt #: 296 total cpu time spent up to now is 138.7 secs Computing kpt #: 297 total cpu time spent up to now is 139.1 secs Computing kpt #: 298 total cpu time spent up to now is 139.5 secs Computing kpt #: 299 total cpu time spent up to now is 139.9 secs Computing kpt #: 300 total cpu time spent up to now is 140.3 secs Computing kpt #: 301 total cpu time spent up to now is 140.7 secs Computing kpt #: 302 total cpu time spent up to now is 141.1 secs Computing kpt #: 303 total cpu time spent up to now is 141.5 secs Computing kpt #: 304 total cpu time spent up to now is 141.9 secs Computing kpt #: 305 total cpu time spent up to now is 142.3 secs Computing kpt #: 306 total cpu time spent up to now is 142.7 secs Computing kpt #: 307 total cpu time spent up to now is 143.1 secs Computing kpt #: 308 total cpu time spent up to now is 143.5 secs Computing kpt #: 309 total cpu time spent up to now is 143.9 secs Computing kpt #: 310 total cpu time spent up to now is 144.3 secs Computing kpt #: 311 total cpu time spent up to now is 144.7 secs Computing kpt #: 312 total cpu time spent up to now is 145.1 secs Computing kpt #: 313 total cpu time spent up to now is 145.5 secs Computing kpt #: 314 total cpu time spent up to now is 145.9 secs Computing kpt #: 315 total cpu time spent up to now is 146.3 secs Computing kpt #: 316 total cpu time spent up to now is 146.7 secs Computing kpt #: 317 total cpu time spent up to now is 147.1 secs Computing kpt #: 318 total cpu time spent up to now is 147.6 secs Computing kpt #: 319 total cpu time spent up to now is 148.0 secs Computing kpt #: 320 total cpu time spent up to now is 148.4 secs Computing kpt #: 321 total cpu time spent up to now is 148.8 secs Computing kpt #: 322 total cpu time spent up to now is 149.2 secs Computing kpt #: 323 total cpu time spent up to now is 149.7 secs Computing kpt #: 324 total cpu time spent up to now is 150.1 secs Computing kpt #: 325 total cpu time spent up to now is 150.6 secs Computing kpt #: 326 total cpu time spent up to now is 151.2 secs Computing kpt #: 327 total cpu time spent up to now is 151.7 secs Computing kpt #: 328 total cpu time spent up to now is 152.1 secs Computing kpt #: 329 total cpu time spent up to now is 152.6 secs Computing kpt #: 330 total cpu time spent up to now is 153.1 secs Computing kpt #: 331 total cpu time spent up to now is 153.8 secs Computing kpt #: 332 total cpu time spent up to now is 154.3 secs Computing kpt #: 333 total cpu time spent up to now is 154.7 secs Computing kpt #: 334 total cpu time spent up to now is 155.2 secs Computing kpt #: 335 total cpu time spent up to now is 155.6 secs Computing kpt #: 336 total cpu time spent up to now is 156.0 secs Computing kpt #: 337 total cpu time spent up to now is 156.4 secs Computing kpt #: 338 total cpu time spent up to now is 156.8 secs Computing kpt #: 339 total cpu time spent up to now is 157.2 secs Computing kpt #: 340 total cpu time spent up to now is 157.6 secs Computing kpt #: 341 total cpu time spent up to now is 158.0 secs Computing kpt #: 342 total cpu time spent up to now is 158.4 secs Computing kpt #: 343 total cpu time spent up to now is 158.8 secs Computing kpt #: 344 total cpu time spent up to now is 159.3 secs Computing kpt #: 345 total cpu time spent up to now is 159.7 secs Computing kpt #: 346 total cpu time spent up to now is 160.1 secs Computing kpt #: 347 total cpu time spent up to now is 160.5 secs Computing kpt #: 348 total cpu time spent up to now is 160.9 secs Computing kpt #: 349 total cpu time spent up to now is 161.3 secs Computing kpt #: 350 total cpu time spent up to now is 161.7 secs Computing kpt #: 351 total cpu time spent up to now is 162.1 secs Computing kpt #: 352 total cpu time spent up to now is 162.5 secs ethr = 2.94E-08, avg # of iterations = 21.9 total cpu time spent up to now is 162.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2263 PWs) bands (ev): -20.1815 -20.1815 -8.7743 -8.7743 -8.3237 -8.3237 -3.4929 -3.4929 -3.2422 -3.2422 -3.2034 -3.2034 -3.0557 -3.0557 -2.9701 -2.9701 -1.0955 -1.0955 -0.8711 -0.8711 -0.7237 -0.7237 3.2635 3.2635 6.9052 6.9052 7.0151 7.0151 7.0984 7.0984 7.5236 7.5236 7.5820 7.5820 8.7217 8.7217 13.0569 13.0569 14.6381 14.6381 17.3436 17.3438 k = 0.0093-0.0154-0.0094 ( 2263 PWs) bands (ev): -20.1814 -20.1814 -8.7739 -8.7739 -8.3237 -8.3237 -3.4935 -3.4935 -3.2430 -3.2430 -3.2040 -3.2040 -3.0549 -3.0549 -2.9697 -2.9697 -1.0950 -1.0950 -0.8709 -0.8709 -0.7237 -0.7237 3.2632 3.2632 6.9028 6.9028 7.0128 7.0128 7.0973 7.0973 7.5234 7.5234 7.5818 7.5818 8.7266 8.7266 13.0593 13.0593 14.6394 14.6394 17.3424 17.3425 k = 0.0185-0.0308-0.0187 ( 2263 PWs) bands (ev): -20.1810 -20.1810 -8.7728 -8.7728 -8.3235 -8.3235 -3.4951 -3.4951 -3.2454 -3.2454 -3.2057 -3.2057 -3.0526 -3.0526 -2.9685 -2.9685 -1.0935 -1.0935 -0.8705 -0.8705 -0.7235 -0.7235 3.2624 3.2624 6.8954 6.8954 7.0062 7.0062 7.0939 7.0939 7.5230 7.5230 7.5810 7.5810 8.7409 8.7409 13.0667 13.0667 14.6434 14.6434 17.3367 17.3368 k = 0.0278-0.0463-0.0281 ( 2270 PWs) bands (ev): -20.1804 -20.1804 -8.7710 -8.7710 -8.3233 -8.3233 -3.4977 -3.4977 -3.2493 -3.2493 -3.2085 -3.2085 -3.0490 -3.0490 -2.9665 -2.9665 -1.0911 -1.0911 -0.8697 -0.8697 -0.7232 -0.7232 3.2610 3.2610 6.8825 6.8825 6.9963 6.9963 7.0889 7.0889 7.5220 7.5220 7.5797 7.5797 8.7642 8.7642 13.0790 13.0790 14.6499 14.6499 17.3242 17.3242 k = 0.0370-0.0617-0.0374 ( 2265 PWs) bands (ev): -20.1796 -20.1796 -8.7685 -8.7685 -8.3230 -8.3230 -3.5013 -3.5013 -3.2545 -3.2545 -3.2123 -3.2123 -3.0443 -3.0443 -2.9638 -2.9638 -1.0877 -1.0877 -0.8687 -0.8687 -0.7228 -0.7228 3.2591 3.2591 6.8636 6.8636 6.9842 6.9842 7.0826 7.0826 7.5201 7.5201 7.5776 7.5776 8.7961 8.7961 13.0960 13.0960 14.6590 14.6590 17.3057 17.3057 k = 0.0463-0.0771-0.0468 ( 2264 PWs) bands (ev): -20.1785 -20.1785 -8.7653 -8.7653 -8.3226 -8.3226 -3.5060 -3.5060 -3.2610 -3.2610 -3.2168 -3.2168 -3.0387 -3.0387 -2.9602 -2.9602 -1.0835 -1.0835 -0.8673 -0.8673 -0.7223 -0.7223 3.2565 3.2565 6.8384 6.8384 6.9712 6.9712 7.0752 7.0752 7.5167 7.5167 7.5748 7.5748 8.8357 8.8357 13.1177 13.1177 14.6707 14.6707 17.2818 17.2818 k = 0.0556-0.0925-0.0562 ( 2265 PWs) bands (ev): -20.1772 -20.1772 -8.7614 -8.7614 -8.3221 -8.3221 -3.5115 -3.5115 -3.2685 -3.2685 -3.2221 -3.2221 -3.0326 -3.0326 -2.9558 -2.9558 -1.0784 -1.0784 -0.8657 -0.8657 -0.7216 -0.7216 3.2534 3.2534 6.8077 6.8077 6.9580 6.9580 7.0667 7.0667 7.5113 7.5113 7.5717 7.5717 8.8821 8.8821 13.1439 13.1439 14.6850 14.6850 17.2527 17.2527 k = 0.0648-0.1080-0.0655 ( 2266 PWs) bands (ev): -20.1757 -20.1757 -8.7567 -8.7567 -8.3216 -8.3216 -3.5180 -3.5180 -3.2770 -3.2770 -3.2279 -3.2279 -3.0262 -3.0262 -2.9506 -2.9506 -1.0726 -1.0726 -0.8637 -0.8637 -0.7207 -0.7207 3.2495 3.2495 6.7726 6.7726 6.9445 6.9445 7.0570 7.0570 7.5033 7.5033 7.5685 7.5685 8.9344 8.9344 13.1744 13.1744 14.7018 14.7018 17.2186 17.2186 k = 0.0741-0.1234-0.0749 ( 2266 PWs) bands (ev): -20.1739 -20.1739 -8.7514 -8.7514 -8.3210 -8.3210 -3.5253 -3.5253 -3.2863 -3.2863 -3.2342 -3.2342 -3.0198 -3.0198 -2.9446 -2.9446 -1.0660 -1.0660 -0.8615 -0.8615 -0.7196 -0.7196 3.2450 3.2450 6.7344 6.7344 6.9307 6.9307 7.0459 7.0459 7.4924 7.4924 7.5658 7.5658 8.9915 8.9915 13.2089 13.2089 14.7211 14.7211 17.1798 17.1798 k = 0.0833-0.1388-0.0842 ( 2262 PWs) bands (ev): -20.1719 -20.1719 -8.7454 -8.7454 -8.3204 -8.3204 -3.5334 -3.5334 -3.2962 -3.2962 -3.2409 -3.2409 -3.0134 -3.0134 -2.9378 -2.9378 -1.0588 -1.0588 -0.8589 -0.8589 -0.7183 -0.7183 3.2398 3.2398 6.6944 6.6944 6.9162 6.9162 7.0333 7.0333 7.4785 7.4785 7.5638 7.5638 9.0528 9.0528 13.2472 13.2472 14.7429 14.7429 17.1364 17.1364 k = 0.0926-0.1542-0.0936 ( 2261 PWs) bands (ev): -20.1697 -20.1697 -8.7387 -8.7387 -8.3198 -8.3198 -3.5422 -3.5422 -3.3068 -3.3068 -3.2478 -3.2478 -3.0073 -3.0073 -2.9302 -2.9302 -1.0512 -1.0512 -0.8560 -0.8560 -0.7167 -0.7167 3.2339 3.2339 6.6535 6.6535 6.9009 6.9009 7.0189 7.0189 7.4619 7.4619 7.5625 7.5625 9.1172 9.1172 13.2890 13.2890 14.7671 14.7671 17.0883 17.0883 k = 0.1019-0.1696-0.1030 ( 2262 PWs) bands (ev): -20.1674 -20.1674 -8.7314 -8.7314 -8.3192 -8.3192 -3.5518 -3.5518 -3.3180 -3.3180 -3.2550 -3.2550 -3.0015 -3.0015 -2.9219 -2.9219 -1.0431 -1.0431 -0.8528 -0.8528 -0.7149 -0.7149 3.2272 3.2272 6.6126 6.6126 6.8845 6.8845 7.0027 7.0027 7.4430 7.4430 7.5619 7.5619 9.1841 9.1841 13.3340 13.3340 14.7936 14.7936 17.0355 17.0355 k = 0.1111-0.1851-0.1123 ( 2262 PWs) bands (ev): -20.1648 -20.1648 -8.7234 -8.7234 -8.3187 -8.3187 -3.5619 -3.5619 -3.3296 -3.3296 -3.2623 -3.2623 -2.9960 -2.9960 -2.9129 -2.9129 -1.0346 -1.0346 -0.8492 -0.8492 -0.7127 -0.7127 3.2198 3.2198 6.5723 6.5723 6.8669 6.8669 6.9845 6.9845 7.4224 7.4224 7.5618 7.5618 9.2527 9.2527 13.3816 13.3816 14.8224 14.8224 16.9780 16.9780 k = 0.1204-0.2005-0.1217 ( 2270 PWs) bands (ev): -20.1620 -20.1620 -8.7148 -8.7148 -8.3181 -8.3181 -3.5727 -3.5727 -3.3416 -3.3416 -3.2697 -3.2697 -2.9909 -2.9909 -2.9033 -2.9033 -1.0261 -1.0261 -0.8452 -0.8452 -0.7102 -0.7102 3.2116 3.2116 6.5330 6.5330 6.8480 6.8480 6.9641 6.9641 7.4006 7.4006 7.5621 7.5621 9.3224 9.3224 13.4316 13.4316 14.8535 14.8535 16.9154 16.9154 k = 0.1296-0.2159-0.1310 ( 2270 PWs) bands (ev): -20.1591 -20.1591 -8.7056 -8.7056 -8.3176 -8.3176 -3.5841 -3.5841 -3.3538 -3.3538 -3.2772 -3.2772 -2.9861 -2.9861 -2.8933 -2.8933 -1.0174 -1.0174 -0.8407 -0.8407 -0.7073 -0.7073 3.2027 3.2027 6.4951 6.4951 6.8277 6.8277 6.9415 6.9415 7.3782 7.3782 7.5628 7.5628 9.3928 9.3928 13.4834 13.4834 14.8868 14.8868 16.8477 16.8477 k = 0.1389-0.2313-0.1404 ( 2273 PWs) bands (ev): -20.1559 -20.1559 -8.6958 -8.6958 -8.3172 -8.3172 -3.5961 -3.5961 -3.3663 -3.3663 -3.2847 -3.2847 -2.9816 -2.9816 -2.8829 -2.8829 -1.0089 -1.0089 -0.8358 -0.8358 -0.7040 -0.7040 3.1931 3.1931 6.4587 6.4587 6.8059 6.8059 6.9166 6.9166 7.3556 7.3556 7.5639 7.5639 9.4633 9.4633 13.5366 13.5366 14.9222 14.9222 16.7748 16.7748 k = 0.1481-0.2468-0.1498 ( 2279 PWs) bands (ev): -20.1527 -20.1527 -8.6855 -8.6855 -8.3168 -8.3168 -3.6086 -3.6086 -3.3788 -3.3788 -3.2922 -3.2922 -2.9774 -2.9774 -2.8722 -2.8722 -1.0006 -1.0006 -0.8304 -0.8304 -0.7003 -0.7003 3.1829 3.1829 6.4239 6.4239 6.7824 6.7824 6.8897 6.8897 7.3333 7.3333 7.5652 7.5652 9.5336 9.5336 13.5904 13.5904 14.9597 14.9597 16.6968 16.6968 k = 0.1574-0.2622-0.1591 ( 2287 PWs) bands (ev): -20.1493 -20.1493 -8.6746 -8.6746 -8.3165 -8.3165 -3.6217 -3.6217 -3.3914 -3.3914 -3.2997 -3.2997 -2.9734 -2.9734 -2.8612 -2.8612 -0.9926 -0.9926 -0.8243 -0.8243 -0.6960 -0.6960 3.1722 3.1722 6.3905 6.3905 6.7570 6.7570 6.8610 6.8610 7.3117 7.3117 7.5669 7.5669 9.6033 9.6033 13.6443 13.6443 14.9990 14.9990 16.6142 16.6142 k = 0.1667-0.2776-0.1685 ( 2283 PWs) bands (ev): -20.1457 -20.1457 -8.6632 -8.6632 -8.3162 -8.3162 -3.6353 -3.6353 -3.4038 -3.4038 -3.3072 -3.3072 -2.9697 -2.9697 -2.8499 -2.8499 -0.9851 -0.9851 -0.8177 -0.8177 -0.6912 -0.6912 3.1610 3.1610 6.3583 6.3583 6.7296 6.7296 6.8309 6.8309 7.2912 7.2912 7.5688 7.5688 9.6721 9.6721 13.6975 13.6975 15.0402 15.0402 16.5279 16.5279 k = 0.1759-0.2930-0.1778 ( 2278 PWs) bands (ev): -20.1420 -20.1420 -8.6514 -8.6514 -8.3161 -8.3161 -3.6494 -3.6494 -3.4161 -3.4161 -3.3146 -3.3146 -2.9662 -2.9662 -2.8386 -2.8386 -0.9783 -0.9783 -0.8105 -0.8105 -0.6859 -0.6859 3.1495 3.1495 6.3270 6.3270 6.7000 6.7000 6.7999 6.7999 7.2720 7.2720 7.5709 7.5709 9.7398 9.7398 13.7494 13.7494 15.0831 15.0831 16.4391 16.4391 k = 0.1852-0.3085-0.1872 ( 2278 PWs) bands (ev): -20.1382 -20.1382 -8.6393 -8.6393 -8.3159 -8.3159 -3.6641 -3.6641 -3.4281 -3.4281 -3.3221 -3.3221 -2.9629 -2.9629 -2.8271 -2.8271 -0.9721 -0.9721 -0.8026 -0.8026 -0.6799 -0.6799 3.1378 3.1378 6.2962 6.2962 6.6680 6.6680 6.7687 6.7687 7.2545 7.2545 7.5733 7.5733 9.8062 9.8062 13.7990 13.7990 15.1274 15.1274 16.3490 16.3490 k = 0.1944-0.3239-0.1966 ( 2275 PWs) bands (ev): -20.1343 -20.1343 -8.6268 -8.6268 -8.3158 -8.3158 -3.6794 -3.6794 -3.4398 -3.4398 -3.3294 -3.3294 -2.9597 -2.9597 -2.8155 -2.8155 -0.9666 -0.9666 -0.7941 -0.7941 -0.6733 -0.6733 3.1260 3.1260 6.2651 6.2651 6.6338 6.6338 6.7376 6.7376 7.2387 7.2387 7.5759 7.5759 9.8712 9.8712 13.8454 13.8454 15.1728 15.1728 16.2592 16.2592 k = 0.2037-0.3393-0.2059 ( 2277 PWs) bands (ev): -20.1303 -20.1303 -8.6140 -8.6140 -8.3157 -8.3157 -3.6952 -3.6952 -3.4512 -3.4512 -3.3367 -3.3367 -2.9568 -2.9568 -2.8038 -2.8038 -0.9618 -0.9618 -0.7852 -0.7852 -0.6659 -0.6659 3.1144 3.1144 6.2330 6.2330 6.5978 6.5978 6.7071 6.7071 7.2249 7.2249 7.5787 7.5787 9.9346 9.9346 13.8878 13.8878 15.2188 15.2188 16.1714 16.1714 k = 0.2130-0.3547-0.2153 ( 2279 PWs) bands (ev): -20.1262 -20.1262 -8.6011 -8.6011 -8.3155 -8.3155 -3.7116 -3.7116 -3.4622 -3.4622 -3.3440 -3.3440 -2.9539 -2.9539 -2.7920 -2.7920 -0.9578 -0.9578 -0.7758 -0.7758 -0.6578 -0.6578 3.1030 3.1030 6.1990 6.1990 6.5608 6.5608 6.6773 6.6773 7.2131 7.2131 7.5817 7.5817 9.9963 9.9963 13.9253 13.9253 15.2644 15.2644 16.0873 16.0873 k = 0.2222-0.3701-0.2246 ( 2281 PWs) bands (ev): -20.1221 -20.1221 -8.5880 -8.5880 -8.3152 -8.3152 -3.7285 -3.7285 -3.4727 -3.4727 -3.3512 -3.3512 -2.9513 -2.9513 -2.7802 -2.7802 -0.9544 -0.9544 -0.7662 -0.7662 -0.6488 -0.6488 3.0920 3.0920 6.1623 6.1623 6.5236 6.5236 6.6481 6.6481 7.2036 7.2036 7.5848 7.5848 10.0563 10.0563 13.9569 13.9569 15.3081 15.3081 16.0096 16.0096 k = 0.2315-0.3856-0.2340 ( 2279 PWs) bands (ev): -20.1179 -20.1179 -8.5750 -8.5750 -8.3148 -8.3148 -3.7458 -3.7458 -3.4828 -3.4828 -3.3583 -3.3583 -2.9487 -2.9487 -2.7684 -2.7684 -0.9517 -0.9517 -0.7564 -0.7564 -0.6390 -0.6390 3.0817 3.0817 6.1221 6.1221 6.4870 6.4870 6.6195 6.6195 7.1965 7.1965 7.5881 7.5881 10.1147 10.1147 13.9819 13.9819 15.3471 15.3471 15.9416 15.9416 k = 0.2407-0.4010-0.2434 ( 2281 PWs) bands (ev): -20.1137 -20.1137 -8.5621 -8.5621 -8.3140 -8.3140 -3.7635 -3.7635 -3.4925 -3.4925 -3.3654 -3.3654 -2.9463 -2.9463 -2.7565 -2.7565 -0.9496 -0.9496 -0.7466 -0.7466 -0.6283 -0.6283 3.0721 3.0721 6.0777 6.0777 6.4519 6.4519 6.5914 6.5914 7.1918 7.1918 7.5915 7.5915 10.1713 10.1713 13.9996 13.9996 15.3767 15.3767 15.8885 15.8885 k = 0.2500-0.4164-0.2527 ( 2283 PWs) bands (ev): -20.1095 -20.1095 -8.5495 -8.5495 -8.3130 -8.3130 -3.7817 -3.7817 -3.5018 -3.5018 -3.3723 -3.3723 -2.9441 -2.9441 -2.7447 -2.7447 -0.9479 -0.9479 -0.7369 -0.7369 -0.6166 -0.6166 3.0634 3.0634 6.0288 6.0288 6.4185 6.4185 6.5638 6.5638 7.1897 7.1897 7.5950 7.5950 10.2262 10.2262 14.0096 14.0096 15.3905 15.3905 15.8573 15.8573 k = 0.2593-0.4318-0.2621 ( 2281 PWs) bands (ev): -20.1052 -20.1052 -8.5373 -8.5373 -8.3114 -8.3114 -3.8001 -3.8001 -3.5107 -3.5107 -3.3792 -3.3792 -2.9419 -2.9419 -2.7328 -2.7328 -0.9467 -0.9467 -0.7275 -0.7275 -0.6041 -0.6041 3.0559 3.0559 5.9753 5.9753 6.3869 6.3869 6.5366 6.5366 7.1902 7.1902 7.5986 7.5986 10.2794 10.2794 14.0116 14.0116 15.3834 15.3834 15.8533 15.8533 k = 0.2685-0.4473-0.2715 ( 2277 PWs) bands (ev): -20.1010 -20.1010 -8.5257 -8.5257 -8.3093 -8.3093 -3.8189 -3.8189 -3.5192 -3.5192 -3.3859 -3.3859 -2.9399 -2.9399 -2.7209 -2.7209 -0.9458 -0.9458 -0.7183 -0.7183 -0.5906 -0.5906 3.0496 3.0496 5.9176 5.9176 6.3569 6.3569 6.5099 6.5099 7.1934 7.1934 7.6023 7.6023 10.3311 10.3311 14.0056 14.0056 15.3562 15.3562 15.8757 15.8757 k = 0.2778-0.4627-0.2808 ( 2281 PWs) bands (ev): -20.0968 -20.0968 -8.5149 -8.5149 -8.3064 -8.3064 -3.8378 -3.8378 -3.5274 -3.5274 -3.3926 -3.3926 -2.9380 -2.9380 -2.7090 -2.7090 -0.9452 -0.9452 -0.7095 -0.7095 -0.5764 -0.5764 3.0446 3.0446 5.8561 5.8561 6.3283 6.3283 6.4836 6.4836 7.1991 7.1991 7.6060 7.6060 10.3813 10.3813 13.9918 13.9918 15.3151 15.3151 15.9182 15.9182 k = 0.2870-0.4781-0.2902 ( 2279 PWs) bands (ev): -20.0926 -20.0926 -8.5051 -8.5051 -8.3026 -8.3026 -3.8568 -3.8568 -3.5353 -3.5353 -3.3992 -3.3992 -2.9362 -2.9362 -2.6972 -2.6972 -0.9448 -0.9448 -0.7010 -0.7010 -0.5613 -0.5613 3.0411 3.0411 5.7913 5.7913 6.3008 6.3008 6.4578 6.4578 7.2074 7.2074 7.6097 7.6097 10.4300 10.4300 13.9708 13.9708 15.2664 15.2664 15.9742 15.9742 k = 0.2963-0.4935-0.2995 ( 2277 PWs) bands (ev): -20.0885 -20.0885 -8.4963 -8.4963 -8.2978 -8.2978 -3.8758 -3.8758 -3.5429 -3.5429 -3.4056 -3.4056 -2.9345 -2.9345 -2.6854 -2.6854 -0.9446 -0.9446 -0.6929 -0.6929 -0.5456 -0.5456 3.0393 3.0393 5.7237 5.7237 6.2740 6.2740 6.4324 6.4324 7.2180 7.2180 7.6135 7.6135 10.4774 10.4774 13.9431 13.9431 15.2145 15.2145 16.0389 16.0389 k = 0.3056-0.5089-0.3089 ( 2273 PWs) bands (ev): -20.0844 -20.0844 -8.4888 -8.4888 -8.2920 -8.2920 -3.8948 -3.8948 -3.5502 -3.5502 -3.4119 -3.4119 -2.9329 -2.9329 -2.6737 -2.6737 -0.9446 -0.9446 -0.6851 -0.6851 -0.5294 -0.5294 3.0391 3.0391 5.6540 5.6540 6.2477 6.2477 6.4075 6.4075 7.2308 7.2308 7.6173 7.6173 10.5235 10.5235 13.9094 13.9094 15.1619 15.1619 16.1092 16.1092 k = 0.3148-0.5244-0.3183 ( 2273 PWs) bands (ev): -20.0805 -20.0805 -8.4825 -8.4825 -8.2851 -8.2851 -3.9137 -3.9137 -3.5573 -3.5573 -3.4180 -3.4180 -2.9315 -2.9315 -2.6621 -2.6621 -0.9446 -0.9446 -0.6777 -0.6777 -0.5127 -0.5127 3.0406 3.0406 5.5825 5.5825 6.2218 6.2218 6.3831 6.3831 7.2456 7.2456 7.6210 7.6210 10.5683 10.5683 13.8708 13.8708 15.1099 15.1099 16.1831 16.1831 k = 0.3241-0.5398-0.3276 ( 2272 PWs) bands (ev): -20.0766 -20.0766 -8.4775 -8.4775 -8.2771 -8.2771 -3.9324 -3.9324 -3.5642 -3.5642 -3.4240 -3.4240 -2.9301 -2.9301 -2.6507 -2.6507 -0.9448 -0.9448 -0.6706 -0.6706 -0.4958 -0.4958 3.0440 3.0440 5.5097 5.5097 6.1962 6.1962 6.3592 6.3592 7.2621 7.2621 7.6247 7.6247 10.6120 10.6120 13.8279 13.8279 15.0594 15.0594 16.2593 16.2593 k = 0.3333-0.5552-0.3370 ( 2272 PWs) bands (ev): -20.0728 -20.0728 -8.4737 -8.4737 -8.2682 -8.2682 -3.9508 -3.9508 -3.5708 -3.5708 -3.4298 -3.4298 -2.9288 -2.9288 -2.6394 -2.6394 -0.9449 -0.9449 -0.6639 -0.6639 -0.4786 -0.4786 3.0492 3.0492 5.4362 5.4362 6.1711 6.1711 6.3359 6.3359 7.2800 7.2800 7.6283 7.6283 10.6545 10.6545 13.7817 13.7817 15.0106 15.0106 16.3365 16.3365 k = 0.3426-0.5706-0.3463 ( 2270 PWs) bands (ev): -20.0692 -20.0692 -8.4710 -8.4710 -8.2585 -8.2585 -3.9688 -3.9688 -3.5773 -3.5773 -3.4355 -3.4355 -2.9276 -2.9276 -2.6284 -2.6284 -0.9450 -0.9450 -0.6574 -0.6574 -0.4613 -0.4613 3.0561 3.0561 5.3622 5.3622 6.1464 6.1464 6.3132 6.3132 7.2991 7.2991 7.6319 7.6319 10.6959 10.6959 13.7330 13.7330 14.9640 14.9640 16.4139 16.4139 k = 0.3519-0.5861-0.3557 ( 2270 PWs) bands (ev): -20.0657 -20.0657 -8.4693 -8.4693 -8.2482 -8.2482 -3.9864 -3.9864 -3.5835 -3.5835 -3.4410 -3.4410 -2.9264 -2.9264 -2.6176 -2.6176 -0.9452 -0.9452 -0.6513 -0.6513 -0.4442 -0.4442 3.0649 3.0649 5.2883 5.2883 6.1222 6.1222 6.2911 6.2911 7.3189 7.3189 7.6354 7.6354 10.7362 10.7362 13.6827 13.6827 14.9195 14.9195 16.4908 16.4908 k = 0.3611-0.6015-0.3651 ( 2273 PWs) bands (ev): -20.0623 -20.0623 -8.4684 -8.4684 -8.2375 -8.2375 -4.0035 -4.0035 -3.5895 -3.5895 -3.4462 -3.4462 -2.9254 -2.9254 -2.6072 -2.6072 -0.9453 -0.9453 -0.6455 -0.6455 -0.4271 -0.4271 3.0754 3.0754 5.2148 5.2148 6.0986 6.0986 6.2698 6.2698 7.3393 7.3393 7.6388 7.6388 10.7755 10.7755 13.6314 13.6314 14.8773 14.8773 16.5663 16.5663 k = 0.3704-0.6169-0.3744 ( 2271 PWs) bands (ev): -20.0591 -20.0591 -8.4681 -8.4681 -8.2266 -8.2266 -4.0200 -4.0200 -3.5952 -3.5952 -3.4512 -3.4512 -2.9244 -2.9244 -2.5971 -2.5971 -0.9454 -0.9454 -0.6399 -0.6399 -0.4104 -0.4104 3.0875 3.0875 5.1421 5.1421 6.0758 6.0758 6.2494 6.2494 7.3599 7.3599 7.6420 7.6420 10.8135 10.8135 13.5798 13.5798 14.8374 14.8374 16.6397 16.6397 k = 0.3796-0.6323-0.3838 ( 2275 PWs) bands (ev): -20.0560 -20.0560 -8.4684 -8.4684 -8.2156 -8.2156 -4.0358 -4.0358 -3.6007 -3.6007 -3.4560 -3.4560 -2.9235 -2.9235 -2.5875 -2.5875 -0.9454 -0.9454 -0.6347 -0.6347 -0.3941 -0.3941 3.1012 3.1012 5.0707 5.0707 6.0538 6.0538 6.2298 6.2298 7.3804 7.3804 7.6452 7.6452 10.8503 10.8503 13.5286 13.5286 14.7999 14.7999 16.7106 16.7106 k = 0.3889-0.6477-0.3931 ( 2277 PWs) bands (ev): -20.0532 -20.0532 -8.4691 -8.4691 -8.2048 -8.2048 -4.0508 -4.0508 -3.6060 -3.6060 -3.4605 -3.4605 -2.9227 -2.9227 -2.5783 -2.5783 -0.9454 -0.9454 -0.6298 -0.6298 -0.3784 -0.3784 3.1163 3.1163 5.0010 5.0010 6.0329 6.0329 6.2113 6.2113 7.4006 7.4006 7.6482 7.6482 10.8858 10.8858 13.4783 13.4783 14.7648 14.7648 16.7782 16.7782 k = 0.3981-0.6632-0.4025 ( 2277 PWs) bands (ev): -20.0505 -20.0505 -8.4701 -8.4701 -8.1943 -8.1943 -4.0649 -4.0649 -3.6109 -3.6109 -3.4648 -3.4648 -2.9220 -2.9220 -2.5697 -2.5697 -0.9453 -0.9453 -0.6252 -0.6252 -0.3633 -0.3633 3.1326 3.1326 4.9334 4.9334 6.0131 6.0131 6.1938 6.1938 7.4201 7.4201 7.6510 7.6510 10.9198 10.9198 13.4295 13.4295 14.7323 14.7323 16.8421 16.8421 k = 0.4074-0.6786-0.4119 ( 2279 PWs) bands (ev): -20.0480 -20.0480 -8.4713 -8.4713 -8.1842 -8.1842 -4.0782 -4.0782 -3.6155 -3.6155 -3.4687 -3.4687 -2.9213 -2.9213 -2.5616 -2.5616 -0.9453 -0.9453 -0.6210 -0.6210 -0.3490 -0.3490 3.1498 3.1498 4.8685 4.8685 5.9945 5.9945 6.1776 6.1776 7.4387 7.4387 7.6537 7.6537 10.9521 10.9521 13.3828 13.3828 14.7023 14.7023 16.9017 16.9017 k = 0.4167-0.6940-0.4212 ( 2281 PWs) bands (ev): -20.0458 -20.0458 -8.4726 -8.4726 -8.1747 -8.1747 -4.0904 -4.0904 -3.6198 -3.6198 -3.4723 -3.4723 -2.9207 -2.9207 -2.5541 -2.5541 -0.9452 -0.9452 -0.6171 -0.6171 -0.3356 -0.3356 3.1676 3.1676 4.8068 4.8068 5.9773 5.9773 6.1626 6.1626 7.4562 7.4562 7.6563 7.6563 10.9826 10.9826 13.3385 13.3385 14.6749 14.6749 16.9567 16.9567 k = 0.4259-0.7094-0.4306 ( 2283 PWs) bands (ev): -20.0437 -20.0437 -8.4739 -8.4739 -8.1659 -8.1659 -4.1016 -4.1016 -3.6237 -3.6237 -3.4756 -3.4756 -2.9202 -2.9202 -2.5473 -2.5473 -0.9450 -0.9450 -0.6136 -0.6136 -0.3233 -0.3233 3.1858 3.1858 4.7488 4.7488 5.9616 5.9616 6.1489 6.1489 7.4723 7.4723 7.6586 7.6586 11.0110 11.0110 13.2972 13.2972 14.6502 14.6502 17.0067 17.0067 k = 0.4352-0.7249-0.4399 ( 2286 PWs) bands (ev): -20.0419 -20.0419 -8.4752 -8.4752 -8.1579 -8.1579 -4.1116 -4.1116 -3.6272 -3.6272 -3.4785 -3.4785 -2.9198 -2.9198 -2.5412 -2.5412 -0.9449 -0.9449 -0.6105 -0.6105 -0.3121 -0.3121 3.2037 3.2037 4.6951 4.6951 5.9475 5.9475 6.1367 6.1367 7.4870 7.4870 7.6607 7.6607 11.0370 11.0370 13.2595 13.2595 14.6283 14.6283 17.0513 17.0513 k = 0.4444-0.7403-0.4493 ( 2282 PWs) bands (ev): -20.0403 -20.0403 -8.4764 -8.4764 -8.1508 -8.1508 -4.1204 -4.1204 -3.6303 -3.6303 -3.4811 -3.4811 -2.9194 -2.9194 -2.5359 -2.5359 -0.9447 -0.9447 -0.6077 -0.6077 -0.3022 -0.3022 3.2211 3.2211 4.6466 4.6466 5.9351 5.9351 6.1260 6.1260 7.5000 7.5000 7.6627 7.6627 11.0603 11.0603 13.2256 13.2256 14.6092 14.6092 17.0905 17.0905 k = 0.4537-0.7557-0.4587 ( 2290 PWs) bands (ev): -20.0390 -20.0390 -8.4775 -8.4775 -8.1447 -8.1447 -4.1280 -4.1280 -3.6329 -3.6329 -3.4833 -3.4833 -2.9190 -2.9190 -2.5313 -2.5313 -0.9446 -0.9446 -0.6053 -0.6053 -0.2936 -0.2936 3.2372 3.2372 4.6037 4.6037 5.9244 5.9244 6.1168 6.1168 7.5112 7.5112 7.6644 7.6644 11.0807 11.0807 13.1961 13.1961 14.5929 14.5929 17.1238 17.1238 k = 0.4630-0.7711-0.4680 ( 2290 PWs) bands (ev): -20.0378 -20.0378 -8.4785 -8.4785 -8.1395 -8.1395 -4.1342 -4.1342 -3.6351 -3.6351 -3.4851 -3.4851 -2.9188 -2.9188 -2.5275 -2.5275 -0.9445 -0.9445 -0.6034 -0.6034 -0.2864 -0.2864 3.2516 3.2516 4.5673 4.5673 5.9156 5.9156 6.1093 6.1093 7.5205 7.5205 7.6658 7.6658 11.0979 11.0979 13.1713 13.1713 14.5795 14.5795 17.1512 17.1512 k = 0.4722-0.7865-0.4774 ( 2290 PWs) bands (ev): -20.0370 -20.0370 -8.4792 -8.4792 -8.1355 -8.1355 -4.1392 -4.1392 -3.6369 -3.6369 -3.4865 -3.4865 -2.9186 -2.9186 -2.5245 -2.5245 -0.9444 -0.9444 -0.6019 -0.6019 -0.2808 -0.2808 3.2635 3.2635 4.5381 4.5381 5.9087 5.9087 6.1033 6.1033 7.5279 7.5279 7.6669 7.6669 11.1116 11.1116 13.1517 13.1517 14.5690 14.5690 17.1726 17.1726 k = 0.4815-0.8020-0.4867 ( 2296 PWs) bands (ev): -20.0363 -20.0363 -8.4798 -8.4798 -8.1326 -8.1326 -4.1427 -4.1427 -3.6381 -3.6381 -3.4875 -3.4875 -2.9184 -2.9184 -2.5223 -2.5223 -0.9443 -0.9443 -0.6008 -0.6008 -0.2767 -0.2767 3.2726 3.2726 4.5167 4.5167 5.9037 5.9037 6.0991 6.0991 7.5331 7.5331 7.6678 7.6678 11.1216 11.1216 13.1374 13.1374 14.5615 14.5615 17.1880 17.1880 k = 0.4907-0.8174-0.4961 ( 2302 PWs) bands (ev): -20.0360 -20.0360 -8.4801 -8.4801 -8.1308 -8.1308 -4.1449 -4.1449 -3.6389 -3.6389 -3.4881 -3.4881 -2.9183 -2.9183 -2.5210 -2.5210 -0.9442 -0.9442 -0.6001 -0.6001 -0.2743 -0.2743 3.2782 3.2782 4.5036 4.5036 5.9007 5.9007 6.0965 6.0965 7.5363 7.5363 7.6683 7.6683 11.1276 11.1276 13.1287 13.1287 14.5570 14.5570 17.1972 17.1972 k = 0.5000-0.8328-0.5055 ( 2304 PWs) bands (ev): -20.0359 -20.0359 -8.4803 -8.4803 -8.1302 -8.1302 -4.1456 -4.1456 -3.6391 -3.6391 -3.4883 -3.4883 -2.9183 -2.9183 -2.5206 -2.5206 -0.9442 -0.9442 -0.5999 -0.5999 -0.2735 -0.2735 3.2801 3.2801 4.4992 4.4992 5.8997 5.8997 6.0956 6.0956 7.5373 7.5373 7.6685 7.6685 11.1296 11.1296 13.1258 13.1258 14.5555 14.5555 17.2003 17.2003 k = 0.5000-0.8328-0.5055 ( 2304 PWs) bands (ev): -20.0359 -20.0359 -8.4803 -8.4803 -8.1302 -8.1302 -4.1456 -4.1456 -3.6391 -3.6391 -3.4883 -3.4883 -2.9183 -2.9183 -2.5206 -2.5206 -0.9442 -0.9442 -0.5999 -0.5999 -0.2735 -0.2735 3.2801 3.2801 4.4992 4.4992 5.8997 5.8997 6.0956 6.0956 7.5373 7.5373 7.6685 7.6685 11.1296 11.1296 13.1258 13.1258 14.5555 14.5555 17.2003 17.2003 k = 0.5000-0.8223-0.5228 ( 2302 PWs) bands (ev): -20.0358 -20.0358 -8.4799 -8.4799 -8.1305 -8.1305 -4.1453 -4.1453 -3.6391 -3.6391 -3.4886 -3.4886 -2.9181 -2.9181 -2.5209 -2.5209 -0.9438 -0.9438 -0.6001 -0.6001 -0.2738 -0.2738 3.2794 3.2794 4.5004 4.5004 5.9002 5.9002 6.0957 6.0957 7.5368 7.5368 7.6661 7.6661 11.1299 11.1299 13.1293 13.1293 14.5570 14.5570 17.2010 17.2010 k = 0.5000-0.8118-0.5401 ( 2300 PWs) bands (ev): -20.0357 -20.0357 -8.4789 -8.4789 -8.1312 -8.1312 -4.1445 -4.1445 -3.6392 -3.6392 -3.4896 -3.4896 -2.9176 -2.9176 -2.5216 -2.5216 -0.9424 -0.9424 -0.6005 -0.6005 -0.2749 -0.2749 3.2772 3.2772 4.5039 4.5039 5.9017 5.9017 6.0959 6.0959 7.5352 7.5352 7.6592 7.6592 11.1307 11.1307 13.1399 13.1399 14.5617 14.5617 17.2029 17.2029 k = 0.5000-0.8012-0.5575 ( 2298 PWs) bands (ev): -20.0355 -20.0355 -8.4773 -8.4773 -8.1324 -8.1324 -4.1431 -4.1431 -3.6393 -3.6393 -3.4911 -3.4911 -2.9166 -2.9166 -2.5229 -2.5229 -0.9403 -0.9403 -0.6013 -0.6013 -0.2768 -0.2768 3.2736 3.2736 4.5098 4.5098 5.9042 5.9042 6.0962 6.0962 7.5325 7.5325 7.6478 7.6478 11.1321 11.1321 13.1573 13.1573 14.5693 14.5693 17.2061 17.2061 k = 0.5000-0.7907-0.5748 ( 2298 PWs) bands (ev): -20.0352 -20.0352 -8.4750 -8.4750 -8.1340 -8.1340 -4.1411 -4.1411 -3.6395 -3.6395 -3.4932 -3.4932 -2.9153 -2.9153 -2.5247 -2.5247 -0.9372 -0.9372 -0.6024 -0.6024 -0.2793 -0.2793 3.2686 3.2686 4.5181 4.5181 5.9074 5.9074 6.0966 6.0966 7.5287 7.5287 7.6322 7.6322 11.1340 11.1340 13.1814 13.1814 14.5799 14.5799 17.2104 17.2104 k = 0.5000-0.7802-0.5922 ( 2296 PWs) bands (ev): -20.0348 -20.0348 -8.4721 -8.4721 -8.1362 -8.1362 -4.1387 -4.1387 -3.6398 -3.6398 -3.4959 -3.4959 -2.9135 -2.9135 -2.5270 -2.5270 -0.9333 -0.9333 -0.6038 -0.6038 -0.2826 -0.2826 3.2624 3.2624 4.5286 4.5286 5.9113 5.9113 6.0970 6.0970 7.5236 7.5236 7.6129 7.6129 11.1365 11.1365 13.2122 13.2122 14.5934 14.5934 17.2155 17.2155 k = 0.5000-0.7697-0.6095 ( 2296 PWs) bands (ev): -20.0344 -20.0344 -8.4685 -8.4685 -8.1387 -8.1387 -4.1357 -4.1357 -3.6403 -3.6403 -3.4992 -3.4992 -2.9113 -2.9113 -2.5298 -2.5298 -0.9285 -0.9285 -0.6054 -0.6054 -0.2866 -0.2866 3.2550 3.2550 4.5415 4.5415 5.9157 5.9157 6.0976 6.0976 7.5170 7.5170 7.5907 7.5907 11.1395 11.1395 13.2493 13.2493 14.6096 14.6096 17.2212 17.2212 k = 0.5000-0.7591-0.6268 ( 2294 PWs) bands (ev): -20.0338 -20.0338 -8.4643 -8.4643 -8.1417 -8.1417 -4.1321 -4.1321 -3.6410 -3.6410 -3.5029 -3.5029 -2.9086 -2.9086 -2.5331 -2.5331 -0.9229 -0.9229 -0.6074 -0.6074 -0.2912 -0.2912 3.2465 3.2465 4.5565 4.5565 5.9202 5.9202 6.0981 6.0981 7.5079 7.5079 7.5667 7.5667 11.1432 11.1432 13.2924 13.2924 14.6284 14.6284 17.2268 17.2268 k = 0.5000-0.7486-0.6442 ( 2288 PWs) bands (ev): -20.0332 -20.0332 -8.4596 -8.4596 -8.1451 -8.1451 -4.1281 -4.1281 -3.6420 -3.6420 -3.5071 -3.5071 -2.9055 -2.9055 -2.5369 -2.5369 -0.9164 -0.9164 -0.6095 -0.6095 -0.2964 -0.2964 3.2370 3.2370 4.5737 4.5737 5.9245 5.9245 6.0988 6.0988 7.4944 7.4944 7.5435 7.5435 11.1474 11.1474 13.3413 13.3413 14.6497 14.6497 17.2315 17.2315 k = 0.5000-0.7381-0.6615 ( 2290 PWs) bands (ev): -20.0326 -20.0326 -8.4543 -8.4543 -8.1489 -8.1489 -4.1236 -4.1236 -3.6434 -3.6434 -3.5116 -3.5116 -2.9018 -2.9018 -2.5411 -2.5411 -0.9092 -0.9092 -0.6119 -0.6119 -0.3023 -0.3023 3.2267 3.2267 4.5931 4.5931 5.9283 5.9283 6.0994 6.0994 7.4735 7.4735 7.5247 7.5247 11.1521 11.1521 13.3955 13.3955 14.6733 14.6733 17.2338 17.2338 k = 0.5000-0.7276-0.6789 ( 2290 PWs) bands (ev): -20.0319 -20.0319 -8.4485 -8.4485 -8.1531 -8.1531 -4.1186 -4.1186 -3.6453 -3.6453 -3.5165 -3.5165 -2.8976 -2.8976 -2.5457 -2.5457 -0.9012 -0.9012 -0.6144 -0.6144 -0.3087 -0.3087 3.2158 3.2158 4.6145 4.6145 5.9312 5.9312 6.1000 6.1000 7.4453 7.4453 7.5110 7.5110 11.1575 11.1575 13.4548 13.4548 14.6989 14.6989 17.2318 17.2318 k = 0.5000-0.7171-0.6962 ( 2288 PWs) bands (ev): -20.0311 -20.0311 -8.4421 -8.4421 -8.1577 -8.1577 -4.1131 -4.1131 -3.6477 -3.6477 -3.5215 -3.5215 -2.8929 -2.8929 -2.5508 -2.5508 -0.8925 -0.8925 -0.6172 -0.6172 -0.3156 -0.3156 3.2043 3.2043 4.6379 4.6379 5.9328 5.9328 6.1004 6.1004 7.4127 7.4127 7.5001 7.5001 11.1634 11.1634 13.5187 13.5187 14.7263 14.7263 17.2220 17.2220 k = 0.5000-0.7065-0.7135 ( 2284 PWs) bands (ev): -20.0303 -20.0303 -8.4353 -8.4353 -8.1626 -8.1626 -4.1073 -4.1073 -3.6509 -3.6509 -3.5266 -3.5266 -2.8876 -2.8876 -2.5563 -2.5563 -0.8831 -0.8831 -0.6200 -0.6200 -0.3230 -0.3230 3.1925 3.1925 4.6631 4.6631 5.9327 5.9327 6.1006 6.1006 7.3782 7.3782 7.4904 7.4904 11.1699 11.1699 13.5868 13.5868 14.7554 14.7554 17.2002 17.2002 k = 0.5000-0.6960-0.7309 ( 2288 PWs) bands (ev): -20.0295 -20.0295 -8.4281 -8.4281 -8.1678 -8.1678 -4.1010 -4.1010 -3.6548 -3.6548 -3.5316 -3.5316 -2.8817 -2.8817 -2.5622 -2.5622 -0.8730 -0.8730 -0.6230 -0.6230 -0.3308 -0.3308 3.1804 3.1804 4.6902 4.6902 5.9306 5.9306 6.1003 6.1003 7.3432 7.3432 7.4812 7.4812 11.1770 11.1770 13.6588 13.6588 14.7860 14.7860 17.1618 17.1618 k = 0.5000-0.6855-0.7482 ( 2290 PWs) bands (ev): -20.0286 -20.0286 -8.4204 -8.4204 -8.1734 -8.1734 -4.0944 -4.0944 -3.6597 -3.6597 -3.5365 -3.5365 -2.8753 -2.8753 -2.5685 -2.5685 -0.8624 -0.8624 -0.6260 -0.6260 -0.3391 -0.3391 3.1684 3.1684 4.7190 4.7190 5.9263 5.9263 6.0991 6.0991 7.3088 7.3088 7.4724 7.4724 11.1846 11.1846 13.7340 13.7340 14.8178 14.8178 17.1045 17.1045 k = 0.5000-0.6750-0.7656 ( 2290 PWs) bands (ev): -20.0277 -20.0277 -8.4124 -8.4124 -8.1791 -8.1791 -4.0875 -4.0875 -3.6654 -3.6654 -3.5411 -3.5411 -2.8684 -2.8684 -2.5751 -2.5751 -0.8512 -0.8512 -0.6290 -0.6290 -0.3476 -0.3476 3.1565 3.1565 4.7494 4.7494 5.9195 5.9195 6.0966 6.0966 7.2759 7.2759 7.4637 7.4637 11.1928 11.1928 13.8122 13.8122 14.8507 14.8507 17.0299 17.0299 k = 0.5000-0.6644-0.7829 ( 2288 PWs) bands (ev): -20.0268 -20.0268 -8.4042 -8.4042 -8.1851 -8.1851 -4.0802 -4.0802 -3.6721 -3.6721 -3.5453 -3.5453 -2.8609 -2.8609 -2.5819 -2.5819 -0.8396 -0.8396 -0.6320 -0.6320 -0.3564 -0.3564 3.1448 3.1448 4.7813 4.7813 5.9102 5.9102 6.0924 6.0924 7.2454 7.2454 7.4554 7.4554 11.2015 11.2015 13.8927 13.8927 14.8845 14.8845 16.9423 16.9423 k = 0.5000-0.6539-0.8002 ( 2290 PWs) bands (ev): -20.0259 -20.0259 -8.3956 -8.3956 -8.1913 -8.1913 -4.0727 -4.0727 -3.6798 -3.6798 -3.5491 -3.5491 -2.8530 -2.8530 -2.5891 -2.5891 -0.8277 -0.8277 -0.6350 -0.6350 -0.3654 -0.3654 3.1336 3.1336 4.8147 4.8147 5.8983 5.8983 6.0858 6.0858 7.2180 7.2180 7.4474 7.4474 11.2106 11.2106 13.9750 13.9750 14.9192 14.9192 16.8462 16.8462 k = 0.5000-0.6434-0.8176 ( 2292 PWs) bands (ev): -20.0249 -20.0249 -8.3869 -8.3869 -8.1977 -8.1977 -4.0651 -4.0651 -3.6883 -3.6883 -3.5526 -3.5526 -2.8447 -2.8447 -2.5965 -2.5965 -0.8156 -0.8156 -0.6378 -0.6378 -0.3745 -0.3745 3.1230 3.1230 4.8492 4.8492 5.8840 5.8840 6.0764 6.0764 7.1945 7.1945 7.4398 7.4398 11.2202 11.2202 14.0585 14.0585 14.9546 14.9546 16.7451 16.7451 k = 0.5000-0.6329-0.8349 ( 2296 PWs) bands (ev): -20.0240 -20.0240 -8.3780 -8.3780 -8.2043 -8.2043 -4.0573 -4.0573 -3.6974 -3.6974 -3.5557 -3.5557 -2.8360 -2.8360 -2.6042 -2.6042 -0.8034 -0.8034 -0.6404 -0.6404 -0.3837 -0.3837 3.1130 3.1130 4.8849 4.8849 5.8672 5.8672 6.0639 6.0639 7.1752 7.1752 7.4326 7.4326 11.2302 11.2302 14.1425 14.1425 14.9909 14.9909 16.6415 16.6415 k = 0.5000-0.6223-0.8523 ( 2296 PWs) bands (ev): -20.0232 -20.0232 -8.3690 -8.3690 -8.2109 -8.2109 -4.0494 -4.0494 -3.7072 -3.7072 -3.5584 -3.5584 -2.8270 -2.8270 -2.6120 -2.6120 -0.7912 -0.7912 -0.6427 -0.6427 -0.3928 -0.3928 3.1039 3.1039 4.9216 4.9216 5.8482 5.8482 6.0479 6.0479 7.1606 7.1606 7.4260 7.4260 11.2406 11.2406 14.2260 14.2260 15.0282 15.0282 16.5370 16.5370 k = 0.5000-0.6118-0.8696 ( 2302 PWs) bands (ev): -20.0223 -20.0223 -8.3599 -8.3599 -8.2176 -8.2176 -4.0416 -4.0416 -3.7173 -3.7173 -3.5609 -3.5609 -2.8178 -2.8178 -2.6199 -2.6199 -0.7794 -0.7794 -0.6448 -0.6448 -0.4018 -0.4018 3.0958 3.0958 4.9590 4.9590 5.8271 5.8271 6.0285 6.0285 7.1508 7.1508 7.4200 7.4200 11.2511 11.2511 14.3082 14.3082 15.0668 15.0668 16.4331 16.4331 k = 0.5000-0.6013-0.8869 ( 2300 PWs) bands (ev): -20.0215 -20.0215 -8.3509 -8.3509 -8.2244 -8.2244 -4.0339 -4.0339 -3.7275 -3.7275 -3.5631 -3.5631 -2.8084 -2.8084 -2.6278 -2.6278 -0.7680 -0.7680 -0.6463 -0.6463 -0.4105 -0.4105 3.0886 3.0886 4.9971 4.9971 5.8042 5.8042 6.0057 6.0057 7.1459 7.1459 7.4147 7.4147 11.2619 11.2619 14.3878 14.3878 15.1072 15.1072 16.3308 16.3308 k = 0.5000-0.5908-0.9043 ( 2306 PWs) bands (ev): -20.0207 -20.0207 -8.3420 -8.3420 -8.2311 -8.2311 -4.0264 -4.0264 -3.7376 -3.7376 -3.5651 -3.5651 -2.7990 -2.7990 -2.6358 -2.6358 -0.7574 -0.7574 -0.6473 -0.6473 -0.4189 -0.4189 3.0825 3.0825 5.0354 5.0354 5.7798 5.7798 5.9798 5.9798 7.1456 7.1456 7.4100 7.4100 11.2728 11.2728 14.4634 14.4634 15.1499 15.1499 16.2311 16.2311 k = 0.5000-0.5802-0.9216 ( 2304 PWs) bands (ev): -20.0200 -20.0200 -8.3332 -8.3332 -8.2379 -8.2379 -4.0193 -4.0193 -3.7474 -3.7474 -3.5670 -3.5670 -2.7896 -2.7896 -2.6437 -2.6437 -0.7478 -0.7478 -0.6477 -0.6477 -0.4267 -0.4267 3.0776 3.0776 5.0738 5.0738 5.7542 5.7542 5.9512 5.9512 7.1496 7.1496 7.4060 7.4060 11.2838 11.2838 14.5335 14.5335 15.1958 15.1958 16.1351 16.1351 k = 0.5000-0.5697-0.9390 ( 2304 PWs) bands (ev): -20.0194 -20.0194 -8.3247 -8.3247 -8.2445 -8.2445 -4.0128 -4.0128 -3.7565 -3.7565 -3.5687 -3.5687 -2.7805 -2.7805 -2.6514 -2.6514 -0.7394 -0.7394 -0.6473 -0.6473 -0.4339 -0.4339 3.0739 3.0739 5.1118 5.1118 5.7279 5.7279 5.9205 5.9205 7.1574 7.1574 7.4028 7.4028 11.2946 11.2946 14.5963 14.5963 15.2455 15.2455 16.0438 16.0438 k = 0.5000-0.5592-0.9563 ( 2300 PWs) bands (ev): -20.0188 -20.0188 -8.3165 -8.3165 -8.2511 -8.2511 -4.0069 -4.0069 -3.7649 -3.7649 -3.5703 -3.5703 -2.7717 -2.7717 -2.6588 -2.6588 -0.7326 -0.7326 -0.6462 -0.6462 -0.4403 -0.4403 3.0714 3.0714 5.1489 5.1489 5.7017 5.7017 5.8882 5.8882 7.1686 7.1686 7.4002 7.4002 11.3051 11.3051 14.6502 14.6502 15.2993 15.2993 15.9584 15.9584 k = 0.5000-0.5487-0.9736 ( 2298 PWs) bands (ev): -20.0184 -20.0184 -8.3086 -8.3086 -8.2574 -8.2574 -4.0018 -4.0018 -3.7722 -3.7722 -3.5717 -3.5717 -2.7636 -2.7636 -2.6656 -2.6656 -0.7274 -0.7274 -0.6446 -0.6446 -0.4456 -0.4456 3.0700 3.0700 5.1843 5.1843 5.6763 5.6763 5.8550 5.8550 7.1826 7.1826 7.3984 7.3984 11.3154 11.3154 14.6939 14.6939 15.3570 15.3570 15.8807 15.8807 k = 0.5000-0.5381-0.9910 ( 2298 PWs) bands (ev): -20.0180 -20.0180 -8.3013 -8.3013 -8.2635 -8.2635 -3.9978 -3.9978 -3.7781 -3.7781 -3.5730 -3.5730 -2.7566 -2.7566 -2.6715 -2.6715 -0.7238 -0.7238 -0.6427 -0.6427 -0.4497 -0.4497 3.0699 3.0699 5.2172 5.2172 5.6527 5.6527 5.8216 5.8216 7.1990 7.1990 7.3972 7.3972 11.3250 11.3250 14.7266 14.7266 15.4164 15.4164 15.8135 15.8135 k = 0.5000-0.5276-1.0083 ( 2296 PWs) bands (ev): -20.0177 -20.0177 -8.2949 -8.2949 -8.2690 -8.2690 -3.9949 -3.9949 -3.7824 -3.7824 -3.5742 -3.5742 -2.7510 -2.7510 -2.6761 -2.6761 -0.7215 -0.7215 -0.6409 -0.6409 -0.4524 -0.4524 3.0708 3.0708 5.2460 5.2460 5.6322 5.6322 5.7889 5.7889 7.2173 7.2173 7.3967 7.3967 11.3341 11.3341 14.7479 14.7479 15.4721 15.4721 15.7625 15.7625 k = 0.5000-0.5171-1.0257 ( 2298 PWs) bands (ev): -20.0175 -20.0175 -8.2899 -8.2899 -8.2734 -8.2734 -3.9933 -3.9933 -3.7852 -3.7852 -3.5751 -3.5751 -2.7475 -2.7475 -2.6789 -2.6789 -0.7203 -0.7203 -0.6397 -0.6397 -0.4536 -0.4536 3.0728 3.0728 5.2692 5.2692 5.6160 5.6160 5.7580 5.7580 7.2369 7.2369 7.3969 7.3969 11.3422 11.3422 14.7580 14.7580 15.5114 15.5114 15.7397 15.7397 k = 0.5000-0.5066-1.0430 ( 2288 PWs) bands (ev): -20.0175 -20.0175 -8.2885 -8.2885 -8.2746 -8.2746 -3.9928 -3.9928 -3.7861 -3.7861 -3.5758 -3.5758 -2.7466 -2.7466 -2.6794 -2.6794 -0.7201 -0.7201 -0.6394 -0.6394 -0.4533 -0.4533 3.0757 3.0757 5.2848 5.2848 5.6047 5.6047 5.7310 5.7310 7.2574 7.2574 7.3977 7.3977 11.3493 11.3493 14.7578 14.7578 15.5194 15.5194 15.7588 15.7588 k = 0.5000-0.4960-1.0603 ( 2292 PWs) bands (ev): -20.0176 -20.0176 -8.2913 -8.2913 -8.2720 -8.2720 -3.9935 -3.9935 -3.7854 -3.7854 -3.5762 -3.5762 -2.7482 -2.7482 -2.6776 -2.6776 -0.7205 -0.7205 -0.6403 -0.6403 -0.4515 -0.4515 3.0794 3.0794 5.2919 5.2919 5.5964 5.5964 5.7114 5.7114 7.2785 7.2785 7.3990 7.3990 11.3552 11.3552 14.7483 14.7483 15.5035 15.5035 15.8096 15.8096 k = 0.5000-0.4855-1.0777 ( 2292 PWs) bands (ev): -20.0178 -20.0178 -8.2956 -8.2956 -8.2683 -8.2683 -3.9951 -3.9951 -3.7831 -3.7831 -3.5763 -3.5763 -2.7519 -2.7519 -2.6741 -2.6741 -0.7215 -0.7215 -0.6423 -0.6423 -0.4485 -0.4485 3.0837 3.0837 5.2907 5.2907 5.5864 5.5864 5.7044 5.7044 7.2998 7.2998 7.4009 7.4009 11.3595 11.3595 14.7310 14.7310 15.4805 15.4805 15.8683 15.8683 k = 0.5000-0.4750-1.0950 ( 2282 PWs) bands (ev): -20.0182 -20.0182 -8.3001 -8.3001 -8.2649 -8.2649 -3.9974 -3.9974 -3.7795 -3.7795 -3.5760 -3.5760 -2.7571 -2.7571 -2.6695 -2.6695 -0.7228 -0.7228 -0.6455 -0.6455 -0.4444 -0.4444 3.0885 3.0885 5.2830 5.2830 5.5710 5.5710 5.7125 5.7125 7.3210 7.3210 7.4034 7.4034 11.3623 11.3623 14.7079 14.7079 15.4581 15.4581 15.9054 15.9054 k = 0.8158-0.3875-0.9268 ( 2282 PWs) bands (ev): -20.0182 -20.0182 -8.3001 -8.3001 -8.2649 -8.2649 -3.9974 -3.9974 -3.7795 -3.7795 -3.5760 -3.5760 -2.7571 -2.7571 -2.6695 -2.6695 -0.7228 -0.7228 -0.6455 -0.6455 -0.4444 -0.4444 3.0885 3.0885 5.2830 5.2830 5.5710 5.5710 5.7125 5.7125 7.3210 7.3210 7.4034 7.4034 11.3623 11.3623 14.7079 14.7079 15.4581 15.4581 15.9054 15.9054 k = 0.8104-0.3784-0.9094 ( 2280 PWs) bands (ev): -20.0187 -20.0187 -8.3045 -8.3045 -8.2620 -8.2620 -4.0003 -4.0003 -3.7746 -3.7746 -3.5752 -3.5752 -2.7632 -2.7632 -2.6643 -2.6643 -0.7246 -0.7246 -0.6496 -0.6496 -0.4397 -0.4397 3.0937 3.0937 5.2708 5.2708 5.5513 5.5513 5.7332 5.7332 7.3418 7.3418 7.4064 7.4064 11.3631 11.3631 14.6805 14.6805 15.4384 15.4384 15.8968 15.8968 k = 0.8049-0.3693-0.8920 ( 2274 PWs) bands (ev): -20.0194 -20.0194 -8.3086 -8.3086 -8.2600 -8.2600 -4.0033 -4.0033 -3.7689 -3.7689 -3.5739 -3.5739 -2.7700 -2.7700 -2.6590 -2.6590 -0.7266 -0.7266 -0.6547 -0.6547 -0.4345 -0.4345 3.0989 3.0989 5.2563 5.2563 5.5303 5.5303 5.7619 5.7619 7.3617 7.3617 7.4101 7.4101 11.3619 11.3619 14.6511 14.6511 15.4215 15.4215 15.8669 15.8669 k = 0.7995-0.3603-0.8745 ( 2276 PWs) bands (ev): -20.0203 -20.0203 -8.3125 -8.3125 -8.2588 -8.2588 -4.0064 -4.0064 -3.7624 -3.7624 -3.5721 -3.5721 -2.7770 -2.7770 -2.6539 -2.6539 -0.7289 -0.7289 -0.6604 -0.6604 -0.4292 -0.4292 3.1041 3.1041 5.2413 5.2413 5.5100 5.5100 5.7954 5.7954 7.3803 7.3803 7.4146 7.4146 11.3583 11.3583 14.6212 14.6212 15.4070 15.4070 15.8331 15.8331 k = 0.7940-0.3512-0.8571 ( 2276 PWs) bands (ev): -20.0213 -20.0213 -8.3159 -8.3159 -8.2586 -8.2586 -4.0092 -4.0092 -3.7554 -3.7554 -3.5697 -3.5697 -2.7843 -2.7843 -2.6490 -2.6490 -0.7314 -0.7314 -0.6666 -0.6666 -0.4240 -0.4240 3.1089 3.1089 5.2268 5.2268 5.4918 5.4918 5.8318 5.8318 7.3967 7.3967 7.4206 7.4206 11.3522 11.3522 14.5923 14.5923 15.3941 15.3941 15.8001 15.8001 k = 0.7886-0.3421-0.8397 ( 2272 PWs) bands (ev): -20.0225 -20.0225 -8.3190 -8.3190 -8.2594 -8.2594 -4.0116 -4.0116 -3.7479 -3.7479 -3.5666 -3.5666 -2.7916 -2.7916 -2.6447 -2.6447 -0.7341 -0.7341 -0.6733 -0.6733 -0.4191 -0.4191 3.1131 3.1131 5.2137 5.2137 5.4765 5.4765 5.8699 5.8699 7.4092 7.4092 7.4294 7.4294 11.3434 11.3434 14.5656 14.5656 15.3823 15.3823 15.7696 15.7696 k = 0.7831-0.3331-0.8222 ( 2276 PWs) bands (ev): -20.0238 -20.0238 -8.3217 -8.3217 -8.2612 -8.2612 -4.0135 -4.0135 -3.7402 -3.7402 -3.5629 -3.5629 -2.7989 -2.7989 -2.6408 -2.6408 -0.7370 -0.7370 -0.6803 -0.6803 -0.4147 -0.4147 3.1166 3.1166 5.2027 5.2027 5.4644 5.4644 5.9091 5.9091 7.4176 7.4176 7.4412 7.4412 11.3318 11.3318 14.5421 14.5421 15.3709 15.3709 15.7420 15.7420 k = 0.7777-0.3240-0.8048 ( 2278 PWs) bands (ev): -20.0254 -20.0254 -8.3239 -8.3239 -8.2640 -8.2640 -4.0146 -4.0146 -3.7323 -3.7323 -3.5586 -3.5586 -2.8063 -2.8063 -2.6375 -2.6375 -0.7400 -0.7400 -0.6875 -0.6875 -0.4110 -0.4110 3.1193 3.1193 5.1943 5.1943 5.4562 5.4562 5.9487 5.9487 7.4238 7.4238 7.4538 7.4538 11.3172 11.3172 14.5223 14.5223 15.3596 15.3596 15.7177 15.7177 k = 0.7723-0.3149-0.7874 ( 2278 PWs) bands (ev): -20.0271 -20.0271 -8.3257 -8.3257 -8.2680 -8.2680 -4.0150 -4.0150 -3.7242 -3.7242 -3.5536 -3.5536 -2.8136 -2.8136 -2.6349 -2.6349 -0.7433 -0.7433 -0.6949 -0.6949 -0.4081 -0.4081 3.1208 3.1208 5.1887 5.1887 5.4520 5.4520 5.9884 5.9884 7.4293 7.4293 7.4656 7.4656 11.2996 11.2996 14.5069 14.5069 15.3481 15.3481 15.6967 15.6967 k = 0.7668-0.3058-0.7700 ( 2272 PWs) bands (ev): -20.0290 -20.0290 -8.3271 -8.3271 -8.2730 -8.2730 -4.0145 -4.0145 -3.7160 -3.7160 -3.5480 -3.5480 -2.8208 -2.8208 -2.6329 -2.6329 -0.7468 -0.7468 -0.7024 -0.7024 -0.4061 -0.4061 3.1213 3.1213 5.1862 5.1862 5.4522 5.4522 6.0279 6.0279 7.4345 7.4345 7.4760 7.4760 11.2790 11.2790 14.4961 14.4961 15.3360 15.3360 15.6793 15.6793 k = 0.7614-0.2968-0.7525 ( 2272 PWs) bands (ev): -20.0311 -20.0311 -8.3280 -8.3280 -8.2790 -8.2790 -4.0131 -4.0131 -3.7077 -3.7077 -3.5418 -3.5418 -2.8279 -2.8279 -2.6317 -2.6317 -0.7504 -0.7504 -0.7100 -0.7100 -0.4050 -0.4050 3.1205 3.1205 5.1870 5.1870 5.4568 5.4568 6.0670 6.0670 7.4395 7.4395 7.4847 7.4847 11.2553 11.2553 14.4900 14.4900 15.3234 15.3234 15.6654 15.6654 k = 0.7559-0.2877-0.7351 ( 2274 PWs) bands (ev): -20.0333 -20.0333 -8.3285 -8.3285 -8.2862 -8.2862 -4.0107 -4.0107 -3.6992 -3.6992 -3.5351 -3.5351 -2.8349 -2.8349 -2.6311 -2.6311 -0.7542 -0.7542 -0.7176 -0.7176 -0.4049 -0.4049 3.1185 3.1185 5.1912 5.1912 5.4661 5.4661 6.1056 6.1056 7.4445 7.4445 7.4915 7.4915 11.2287 11.2287 14.4886 14.4886 15.3102 15.3102 15.6552 15.6552 k = 0.7505-0.2786-0.7177 ( 2274 PWs) bands (ev): -20.0358 -20.0358 -8.3287 -8.3287 -8.2943 -8.2943 -4.0073 -4.0073 -3.6907 -3.6907 -3.5278 -3.5278 -2.8418 -2.8418 -2.6313 -2.6313 -0.7581 -0.7581 -0.7253 -0.7253 -0.4059 -0.4059 3.1153 3.1153 5.1989 5.1989 5.4801 5.4801 6.1436 6.1436 7.4494 7.4494 7.4964 7.4964 11.1991 11.1991 14.4917 14.4917 15.2963 15.2963 15.6485 15.6485 k = 0.7450-0.2696-0.7002 ( 2284 PWs) bands (ev): -20.0384 -20.0384 -8.3286 -8.3286 -8.3033 -8.3033 -4.0029 -4.0029 -3.6821 -3.6821 -3.5202 -3.5202 -2.8485 -2.8485 -2.6323 -2.6323 -0.7622 -0.7622 -0.7330 -0.7330 -0.4079 -0.4079 3.1110 3.1110 5.2101 5.2101 5.4986 5.4986 6.1807 6.1807 7.4541 7.4541 7.4994 7.4994 11.1667 11.1667 14.4988 14.4988 15.2818 15.2818 15.6456 15.6456 k = 0.7396-0.2605-0.6828 ( 2290 PWs) bands (ev): -20.0412 -20.0412 -8.3289 -8.3289 -8.3125 -8.3125 -3.9974 -3.9974 -3.6732 -3.6732 -3.5122 -3.5122 -2.8552 -2.8552 -2.6340 -2.6340 -0.7665 -0.7665 -0.7407 -0.7407 -0.4110 -0.4110 3.1056 3.1056 5.2249 5.2249 5.5217 5.5217 6.2169 6.2169 7.4586 7.4586 7.5005 7.5005 11.1317 11.1317 14.5096 14.5096 15.2669 15.2669 15.6464 15.6464 k = 0.7341-0.2514-0.6654 ( 2290 PWs) bands (ev): -20.0441 -20.0441 -8.3323 -8.3323 -8.3191 -8.3191 -3.9909 -3.9909 -3.6642 -3.6642 -3.5039 -3.5039 -2.8617 -2.8617 -2.6364 -2.6364 -0.7709 -0.7709 -0.7483 -0.7483 -0.4152 -0.4152 3.0995 3.0995 5.2434 5.2434 5.5491 5.5491 6.2522 6.2522 7.4626 7.4626 7.4998 7.4998 11.0942 11.0942 14.5231 14.5231 15.2519 15.2519 15.6512 15.6512 k = 0.7287-0.2424-0.6479 ( 2286 PWs) bands (ev): -20.0472 -20.0472 -8.3419 -8.3419 -8.3200 -8.3200 -3.9833 -3.9833 -3.6549 -3.6549 -3.4954 -3.4954 -2.8681 -2.8681 -2.6396 -2.6396 -0.7756 -0.7756 -0.7558 -0.7558 -0.4204 -0.4204 3.0926 3.0926 5.2654 5.2654 5.5806 5.5806 6.2864 6.2864 7.4659 7.4659 7.4977 7.4977 11.0545 11.0545 14.5384 14.5384 15.2372 15.2372 15.6598 15.6598 k = 0.7233-0.2333-0.6305 ( 2286 PWs) bands (ev): -20.0504 -20.0504 -8.3545 -8.3545 -8.3185 -8.3185 -3.9746 -3.9746 -3.6455 -3.6455 -3.4866 -3.4866 -2.8743 -2.8743 -2.6435 -2.6435 -0.7806 -0.7806 -0.7630 -0.7630 -0.4266 -0.4266 3.0853 3.0853 5.2910 5.2910 5.6160 5.6160 6.3196 6.3196 7.4675 7.4675 7.4951 7.4951 11.0128 11.0128 14.5542 14.5542 15.2236 15.2236 15.6724 15.6724 k = 0.7178-0.2242-0.6131 ( 2286 PWs) bands (ev): -20.0538 -20.0538 -8.3686 -8.3686 -8.3159 -8.3159 -3.9650 -3.9650 -3.6358 -3.6358 -3.4778 -3.4778 -2.8804 -2.8804 -2.6481 -2.6481 -0.7860 -0.7860 -0.7698 -0.7698 -0.4339 -0.4339 3.0777 3.0777 5.3201 5.3201 5.6550 5.6550 6.3516 6.3516 7.4658 7.4658 7.4935 7.4935 10.9693 10.9693 14.5687 14.5687 15.2121 15.2121 15.6888 15.6888 k = 0.7124-0.2151-0.5957 ( 2286 PWs) bands (ev): -20.0573 -20.0573 -8.3837 -8.3837 -8.3127 -8.3127 -3.9544 -3.9544 -3.6260 -3.6260 -3.4689 -3.4689 -2.8863 -2.8863 -2.6535 -2.6535 -0.7921 -0.7921 -0.7759 -0.7759 -0.4420 -0.4420 3.0701 3.0701 5.3527 5.3527 5.6971 5.6971 6.3824 6.3824 7.4597 7.4597 7.4941 7.4941 10.9243 10.9243 14.5801 14.5801 15.2040 15.2040 15.7088 15.7088 k = 0.7069-0.2061-0.5782 ( 2286 PWs) bands (ev): -20.0610 -20.0610 -8.3997 -8.3997 -8.3090 -8.3090 -3.9428 -3.9428 -3.6159 -3.6159 -3.4600 -3.4600 -2.8921 -2.8921 -2.6595 -2.6595 -0.7989 -0.7989 -0.7814 -0.7814 -0.4511 -0.4511 3.0627 3.0627 5.3888 5.3888 5.7421 5.7421 6.4121 6.4121 7.4498 7.4498 7.4965 7.4965 10.8779 10.8779 14.5861 14.5861 15.2009 15.2009 15.7317 15.7317 k = 0.7015-0.1970-0.5608 ( 2290 PWs) bands (ev): -20.0648 -20.0648 -8.4166 -8.4166 -8.3049 -8.3049 -3.9304 -3.9304 -3.6056 -3.6056 -3.4512 -3.4512 -2.8978 -2.8978 -2.6661 -2.6661 -0.8063 -0.8063 -0.7862 -0.7862 -0.4610 -0.4610 3.0557 3.0557 5.4281 5.4281 5.7896 5.7896 6.4405 6.4405 7.4369 7.4369 7.4997 7.4997 10.8303 10.8303 14.5846 14.5846 15.2043 15.2043 15.7564 15.7564 k = 0.6960-0.1879-0.5434 ( 2290 PWs) bands (ev): -20.0687 -20.0687 -8.4341 -8.4341 -8.3003 -8.3003 -3.9171 -3.9171 -3.5951 -3.5951 -3.4424 -3.4424 -2.9033 -2.9033 -2.6734 -2.6734 -0.8142 -0.8142 -0.7904 -0.7904 -0.4716 -0.4716 3.0493 3.0493 5.4707 5.4707 5.8393 5.8393 6.4676 6.4676 7.4217 7.4217 7.5032 7.5032 10.7820 10.7820 14.5739 14.5739 15.2153 15.2153 15.7804 15.7804 k = 0.6906-0.1789-0.5259 ( 2288 PWs) bands (ev): -20.0726 -20.0726 -8.4522 -8.4522 -8.2953 -8.2953 -3.9031 -3.9031 -3.5845 -3.5845 -3.4336 -3.4336 -2.9086 -2.9086 -2.6812 -2.6812 -0.8224 -0.8224 -0.7942 -0.7942 -0.4829 -0.4829 3.0436 3.0436 5.5164 5.5164 5.8907 5.8907 6.4935 6.4935 7.4046 7.4046 7.5069 7.5069 10.7329 10.7329 14.5531 14.5531 15.2342 15.2342 15.7993 15.7993 k = 0.6851-0.1698-0.5085 ( 2288 PWs) bands (ev): -20.0767 -20.0767 -8.4710 -8.4710 -8.2900 -8.2900 -3.8883 -3.8883 -3.5737 -3.5737 -3.4250 -3.4250 -2.9138 -2.9138 -2.6896 -2.6896 -0.8309 -0.8309 -0.7976 -0.7976 -0.4948 -0.4948 3.0389 3.0389 5.5650 5.5650 5.9435 5.9435 6.5181 6.5181 7.3856 7.3856 7.5106 7.5106 10.6835 10.6835 14.5222 14.5222 15.2605 15.2605 15.8062 15.8062 k = 0.6797-0.1607-0.4911 ( 2288 PWs) bands (ev): -20.0809 -20.0809 -8.4902 -8.4902 -8.2843 -8.2843 -3.8730 -3.8730 -3.5629 -3.5629 -3.4166 -3.4166 -2.9188 -2.9188 -2.6984 -2.6984 -0.8396 -0.8396 -0.8008 -0.8008 -0.5071 -0.5071 3.0353 3.0353 5.6164 5.6164 5.9974 5.9974 6.5415 6.5415 7.3651 7.3651 7.5142 7.5142 10.6338 10.6338 14.4817 14.4817 15.2929 15.2929 15.7952 15.7952 k = 0.6742-0.1517-0.4737 ( 2286 PWs) bands (ev): -20.0851 -20.0851 -8.5098 -8.5098 -8.2783 -8.2783 -3.8571 -3.8571 -3.5520 -3.5520 -3.4082 -3.4082 -2.9237 -2.9237 -2.7077 -2.7077 -0.8484 -0.8484 -0.8036 -0.8036 -0.5198 -0.5198 3.0329 3.0329 5.6704 5.6704 6.0519 6.0519 6.5636 6.5636 7.3433 7.3433 7.5178 7.5178 10.5840 10.5840 14.4327 14.4327 15.3297 15.3297 15.7670 15.7670 k = 0.6688-0.1426-0.4562 ( 2288 PWs) bands (ev): -20.0894 -20.0894 -8.5297 -8.5297 -8.2720 -8.2720 -3.8408 -3.8408 -3.5410 -3.5410 -3.4001 -3.4001 -2.9285 -2.9285 -2.7174 -2.7174 -0.8574 -0.8574 -0.8061 -0.8061 -0.5329 -0.5329 3.0319 3.0319 5.7268 5.7268 6.1068 6.1068 6.5844 6.5844 7.3203 7.3203 7.5214 7.5214 10.5344 10.5344 14.3762 14.3762 15.3682 15.3682 15.7286 15.7286 k = 0.6634-0.1335-0.4388 ( 2286 PWs) bands (ev): -20.0937 -20.0937 -8.5499 -8.5499 -8.2654 -8.2654 -3.8242 -3.8242 -3.5300 -3.5300 -3.3921 -3.3921 -2.9331 -2.9331 -2.7273 -2.7273 -0.8665 -0.8665 -0.8084 -0.8084 -0.5461 -0.5461 3.0322 3.0322 5.7854 5.7854 6.1616 6.1616 6.6040 6.6040 7.2963 7.2963 7.5249 7.5249 10.4851 10.4851 14.3132 14.3132 15.4039 15.4039 15.6894 15.6894 k = 0.6579-0.1245-0.4214 ( 2286 PWs) bands (ev): -20.0981 -20.0981 -8.5703 -8.5703 -8.2586 -8.2586 -3.8073 -3.8073 -3.5190 -3.5190 -3.3843 -3.3843 -2.9375 -2.9375 -2.7375 -2.7375 -0.8757 -0.8757 -0.8104 -0.8104 -0.5593 -0.5593 3.0340 3.0340 5.8459 5.8459 6.2160 6.2160 6.6224 6.6224 7.2716 7.2716 7.5284 7.5284 10.4363 10.4363 14.2446 14.2446 15.4282 15.4282 15.6611 15.6611 k = 0.6525-0.1154-0.4039 ( 2284 PWs) bands (ev): -20.1024 -20.1024 -8.5908 -8.5908 -8.2516 -8.2516 -3.7904 -3.7904 -3.5080 -3.5080 -3.3767 -3.3767 -2.9419 -2.9419 -2.7479 -2.7479 -0.8850 -0.8850 -0.8121 -0.8121 -0.5726 -0.5726 3.0372 3.0372 5.9080 5.9080 6.2698 6.2698 6.6395 6.6395 7.2466 7.2466 7.5319 7.5319 10.3882 10.3882 14.1712 14.1712 15.4280 15.4280 15.6585 15.6585 k = 0.6470-0.1063-0.3865 ( 2282 PWs) bands (ev): -20.1068 -20.1068 -8.6114 -8.6114 -8.2444 -8.2444 -3.7735 -3.7735 -3.4971 -3.4971 -3.3692 -3.3692 -2.9462 -2.9462 -2.7583 -2.7583 -0.8944 -0.8944 -0.8136 -0.8136 -0.5857 -0.5857 3.0420 3.0420 5.9713 5.9713 6.3226 6.3226 6.6555 6.6555 7.2214 7.2214 7.5355 7.5355 10.3410 10.3410 14.0938 14.0938 15.4006 15.4006 15.6851 15.6851 k = 0.6416-0.0972-0.3691 ( 2276 PWs) bands (ev): -20.1111 -20.1111 -8.6318 -8.6318 -8.2371 -8.2371 -3.7567 -3.7567 -3.4861 -3.4861 -3.3619 -3.3619 -2.9504 -2.9504 -2.7687 -2.7687 -0.9039 -0.9039 -0.8149 -0.8149 -0.5985 -0.5985 3.0483 3.0483 6.0354 6.0354 6.3739 6.3739 6.6702 6.6702 7.1965 7.1965 7.5393 7.5393 10.2947 10.2947 14.0130 14.0130 15.3568 15.3568 15.7304 15.7304 k = 0.6361-0.0882-0.3516 ( 2272 PWs) bands (ev): -20.1155 -20.1155 -8.6522 -8.6522 -8.2297 -8.2297 -3.7403 -3.7403 -3.4753 -3.4753 -3.3547 -3.3547 -2.9546 -2.9546 -2.7790 -2.7790 -0.9134 -0.9134 -0.8161 -0.8161 -0.6110 -0.6110 3.0560 3.0560 6.0998 6.0998 6.4236 6.4236 6.6839 6.6839 7.1724 7.1724 7.5433 7.5433 10.2495 10.2495 13.9293 13.9293 15.3059 15.3059 15.7853 15.7853 k = 0.6307-0.0791-0.3342 ( 2272 PWs) bands (ev): -20.1198 -20.1198 -8.6724 -8.6724 -8.2222 -8.2222 -3.7243 -3.7243 -3.4644 -3.4644 -3.3477 -3.3477 -2.9587 -2.9587 -2.7890 -2.7890 -0.9230 -0.9230 -0.8170 -0.8170 -0.6231 -0.6231 3.0652 3.0652 6.1640 6.1640 6.4713 6.4713 6.6965 6.6965 7.1496 7.1496 7.5475 7.5475 10.2056 10.2056 13.8434 13.8434 15.2520 15.2520 15.8459 15.8459 k = 0.6252-0.0700-0.3168 ( 2278 PWs) bands (ev): -20.1240 -20.1240 -8.6923 -8.6923 -8.2147 -8.2147 -3.7090 -3.7090 -3.4537 -3.4537 -3.3408 -3.3408 -2.9629 -2.9629 -2.7988 -2.7988 -0.9327 -0.9327 -0.8179 -0.8179 -0.6346 -0.6346 3.0757 3.0757 6.2271 6.2271 6.5164 6.5164 6.7083 6.7083 7.1288 7.1288 7.5521 7.5521 10.1631 10.1631 13.7557 13.7557 15.1971 15.1971 15.9101 15.9101 k = 0.6198-0.0610-0.2994 ( 2274 PWs) bands (ev): -20.1282 -20.1282 -8.7119 -8.7119 -8.2071 -8.2071 -3.6943 -3.6943 -3.4430 -3.4430 -3.3339 -3.3339 -2.9671 -2.9671 -2.8081 -2.8081 -0.9423 -0.9423 -0.8186 -0.8186 -0.6455 -0.6455 3.0875 3.0875 6.2883 6.2883 6.5585 6.5585 6.7194 6.7194 7.1109 7.1109 7.5571 7.5571 10.1222 10.1222 13.6668 13.6668 15.1423 15.1423 15.9770 15.9770 k = 0.6143-0.0519-0.2819 ( 2274 PWs) bands (ev): -20.1323 -20.1323 -8.7311 -8.7311 -8.1996 -8.1996 -3.6804 -3.6804 -3.4324 -3.4324 -3.3272 -3.3272 -2.9714 -2.9714 -2.8170 -2.8170 -0.9520 -0.9520 -0.8192 -0.8192 -0.6557 -0.6557 3.1004 3.1004 6.3464 6.3464 6.5968 6.5968 6.7306 6.7306 7.0969 7.0969 7.5627 7.5627 10.0828 10.0828 13.5770 13.5770 15.0880 15.0880 16.0461 16.0461 k = 0.6089-0.0428-0.2645 ( 2266 PWs) bands (ev): -20.1363 -20.1363 -8.7498 -8.7498 -8.1921 -8.1921 -3.6674 -3.6674 -3.4219 -3.4219 -3.3204 -3.3204 -2.9758 -2.9758 -2.8252 -2.8252 -0.9616 -0.9616 -0.8199 -0.8199 -0.6652 -0.6652 3.1144 3.1144 6.4000 6.4000 6.6300 6.6300 6.7427 6.7427 7.0882 7.0882 7.5688 7.5688 10.0452 10.0452 13.4869 13.4869 15.0346 15.0346 16.1170 16.1170 k = 0.6035-0.0338-0.2471 ( 2266 PWs) bands (ev): -20.1402 -20.1402 -8.7681 -8.7681 -8.1848 -8.1848 -3.6554 -3.6554 -3.4116 -3.4116 -3.3138 -3.3138 -2.9804 -2.9804 -2.8328 -2.8328 -0.9712 -0.9712 -0.8205 -0.8205 -0.6739 -0.6739 3.1293 3.1293 6.4477 6.4477 6.6568 6.6568 6.7570 6.7570 7.0864 7.0864 7.5756 7.5756 10.0093 10.0093 13.3968 13.3968 14.9825 14.9825 16.1892 16.1892 k = 0.5980-0.0247-0.2296 ( 2264 PWs) bands (ev): -20.1440 -20.1440 -8.7857 -8.7857 -8.1776 -8.1776 -3.6444 -3.6444 -3.4016 -3.4016 -3.3071 -3.3071 -2.9850 -2.9850 -2.8397 -2.8397 -0.9806 -0.9806 -0.8212 -0.8212 -0.6818 -0.6818 3.1450 3.1450 6.4875 6.4875 6.6768 6.6768 6.7737 6.7737 7.0930 7.0930 7.5831 7.5831 9.9754 9.9754 13.3072 13.3072 14.9317 14.9317 16.2626 16.2626 k = 0.5926-0.0156-0.2122 ( 2260 PWs) bands (ev): -20.1477 -20.1477 -8.8027 -8.8027 -8.1705 -8.1705 -3.6345 -3.6345 -3.3919 -3.3919 -3.3004 -3.3004 -2.9896 -2.9896 -2.8459 -2.8459 -0.9899 -0.9899 -0.8220 -0.8220 -0.6888 -0.6888 3.1613 3.1613 6.5180 6.5180 6.6915 6.6915 6.7916 6.7916 7.1092 7.1092 7.5912 7.5912 9.9434 9.9434 13.2185 13.2185 14.8825 14.8825 16.3368 16.3368 k = 0.5871-0.0065-0.1948 ( 2258 PWs) bands (ev): -20.1512 -20.1512 -8.8191 -8.8191 -8.1636 -8.1636 -3.6257 -3.6257 -3.3826 -3.3826 -3.2937 -3.2937 -2.9943 -2.9943 -2.8513 -2.8513 -0.9990 -0.9990 -0.8228 -0.8228 -0.6949 -0.6949 3.1781 3.1781 6.5381 6.5381 6.7036 6.7036 6.8086 6.8086 7.1353 7.1353 7.6000 7.6000 9.9134 9.9134 13.1311 13.1311 14.8351 14.8351 16.4115 16.4115 k = 0.5817 0.0025-0.1773 ( 2258 PWs) bands (ev): -20.1546 -20.1546 -8.8347 -8.8347 -8.1570 -8.1570 -3.6179 -3.6179 -3.3738 -3.3738 -3.2870 -3.2870 -2.9990 -2.9990 -2.8561 -2.8561 -1.0078 -1.0078 -0.8237 -0.8237 -0.7003 -0.7003 3.1952 3.1952 6.5481 6.5481 6.7150 6.7150 6.8233 6.8233 7.1703 7.1703 7.6094 7.6094 9.8854 9.8854 13.0454 13.0454 14.7897 14.7897 16.4863 16.4863 k = 0.5762 0.0116-0.1599 ( 2252 PWs) bands (ev): -20.1578 -20.1578 -8.8495 -8.8495 -8.1506 -8.1506 -3.6110 -3.6110 -3.3656 -3.3656 -3.2803 -3.2803 -3.0036 -3.0036 -2.8601 -2.8601 -1.0163 -1.0163 -0.8248 -0.8248 -0.7049 -0.7049 3.2124 3.2124 6.5496 6.5496 6.7263 6.7263 6.8353 6.8353 7.2126 7.2126 7.6193 7.6193 9.8594 9.8594 12.9619 12.9619 14.7463 14.7463 16.5608 16.5608 k = 0.5708 0.0207-0.1425 ( 2256 PWs) bands (ev): -20.1608 -20.1608 -8.8635 -8.8635 -8.1445 -8.1445 -3.6051 -3.6051 -3.3580 -3.3580 -3.2737 -3.2737 -3.0079 -3.0079 -2.8635 -2.8635 -1.0245 -1.0245 -0.8259 -0.8259 -0.7087 -0.7087 3.2296 3.2296 6.5447 6.5447 6.7371 6.7371 6.8448 6.8448 7.2598 7.2598 7.6295 7.6295 9.8355 9.8355 12.8810 12.8810 14.7052 14.7052 16.6346 16.6346 k = 0.5653 0.0297-0.1251 ( 2254 PWs) bands (ev): -20.1637 -20.1637 -8.8766 -8.8766 -8.1388 -8.1388 -3.6000 -3.6000 -3.3512 -3.3512 -3.2672 -3.2672 -3.0120 -3.0120 -2.8663 -2.8663 -1.0322 -1.0322 -0.8271 -0.8271 -0.7118 -0.7118 3.2464 3.2464 6.5357 6.5357 6.7469 6.7469 6.8524 6.8524 7.3100 7.3100 7.6399 7.6399 9.8136 9.8136 12.8033 12.8033 14.6665 14.6665 16.7071 16.7071 k = 0.5599 0.0388-0.1076 ( 2256 PWs) bands (ev): -20.1663 -20.1663 -8.8888 -8.8888 -8.1334 -8.1334 -3.5957 -3.5957 -3.3450 -3.3450 -3.2610 -3.2610 -3.0158 -3.0158 -2.8686 -2.8686 -1.0395 -1.0395 -0.8284 -0.8284 -0.7144 -0.7144 3.2628 3.2628 6.5242 6.5242 6.7553 6.7553 6.8582 6.8582 7.3613 7.3613 7.6504 7.6504 9.7937 9.7937 12.7291 12.7291 14.6303 14.6303 16.7779 16.7779 k = 0.5545 0.0479-0.0902 ( 2256 PWs) bands (ev): -20.1688 -20.1688 -8.9001 -8.9001 -8.1284 -8.1284 -3.5921 -3.5921 -3.3396 -3.3396 -3.2551 -3.2551 -3.0192 -3.0192 -2.8705 -2.8705 -1.0463 -1.0463 -0.8297 -0.8297 -0.7164 -0.7164 3.2786 3.2786 6.5115 6.5115 6.7624 6.7624 6.8627 6.8627 7.4122 7.4122 7.6608 7.6608 9.7758 9.7758 12.6590 12.6590 14.5967 14.5967 16.8461 16.8461 k = 0.5490 0.0569-0.0728 ( 2260 PWs) bands (ev): -20.1711 -20.1711 -8.9104 -8.9104 -8.1237 -8.1237 -3.5891 -3.5891 -3.3348 -3.3348 -3.2497 -3.2497 -3.0221 -3.0221 -2.8720 -2.8720 -1.0526 -1.0526 -0.8310 -0.8310 -0.7179 -0.7179 3.2936 3.2936 6.4983 6.4983 6.7683 6.7683 6.8660 6.8660 7.4614 7.4614 7.6709 7.6709 9.7598 9.7598 12.5935 12.5935 14.5660 14.5660 16.9111 16.9111 k = 0.5436 0.0660-0.0553 ( 2262 PWs) bands (ev): -20.1731 -20.1731 -8.9197 -8.9197 -8.1195 -8.1195 -3.5866 -3.5866 -3.3306 -3.3306 -3.2447 -3.2447 -3.0246 -3.0246 -2.8731 -2.8731 -1.0583 -1.0583 -0.8322 -0.8322 -0.7191 -0.7191 3.3075 3.3075 6.4853 6.4853 6.7730 6.7730 6.8684 6.8684 7.5078 7.5078 7.6808 7.6808 9.7457 9.7457 12.5331 12.5331 14.5382 14.5382 16.9719 16.9719 k = 0.5381 0.0751-0.0379 ( 2258 PWs) bands (ev): -20.1749 -20.1749 -8.9279 -8.9279 -8.1158 -8.1158 -3.5846 -3.5846 -3.3270 -3.3270 -3.2404 -3.2404 -3.0266 -3.0266 -2.8740 -2.8740 -1.0634 -1.0634 -0.8333 -0.8333 -0.7200 -0.7200 3.3203 3.3203 6.4731 6.4731 6.7767 6.7767 6.8701 6.8701 7.5505 7.5505 7.6904 7.6904 9.7335 9.7335 12.4782 12.4782 14.5134 14.5134 17.0277 17.0277 k = 0.5327 0.0841-0.0205 ( 2262 PWs) bands (ev): -20.1765 -20.1765 -8.9351 -8.9351 -8.1125 -8.1125 -3.5830 -3.5830 -3.3241 -3.3241 -3.2366 -3.2366 -3.0282 -3.0282 -2.8746 -2.8746 -1.0678 -1.0678 -0.8344 -0.8344 -0.7206 -0.7206 3.3317 3.3317 6.4619 6.4619 6.7796 6.7796 6.8711 6.8711 7.5883 7.5883 7.6996 7.6996 9.7230 9.7230 12.4295 12.4295 14.4917 14.4917 17.0772 17.0772 k = 0.5272 0.0932-0.0030 ( 2260 PWs) bands (ev): -20.1778 -20.1778 -8.9413 -8.9413 -8.1096 -8.1096 -3.5817 -3.5817 -3.3216 -3.3216 -3.2335 -3.2335 -3.0294 -3.0294 -2.8751 -2.8751 -1.0717 -1.0717 -0.8353 -0.8353 -0.7210 -0.7210 3.3416 3.3416 6.4520 6.4520 6.7819 6.7819 6.8718 6.8718 7.6205 7.6205 7.7087 7.7087 9.7142 9.7142 12.3873 12.3873 14.4732 14.4732 17.1190 17.1190 k = 0.5218 0.1023 0.0144 ( 2266 PWs) bands (ev): -20.1789 -20.1789 -8.9463 -8.9463 -8.1073 -8.1073 -3.5807 -3.5807 -3.3196 -3.3196 -3.2309 -3.2309 -3.0303 -3.0303 -2.8755 -2.8755 -1.0748 -1.0748 -0.8361 -0.8361 -0.7213 -0.7213 3.3499 3.3499 6.4437 6.4437 6.7835 6.7835 6.8722 6.8722 7.6462 7.6462 7.7178 7.7178 9.7072 9.7072 12.3521 12.3521 14.4579 14.4579 17.1517 17.1517 k = 0.5163 0.1114 0.0318 ( 2268 PWs) bands (ev): -20.1798 -20.1798 -8.9502 -8.9502 -8.1055 -8.1055 -3.5800 -3.5800 -3.3181 -3.3181 -3.2290 -3.2290 -3.0309 -3.0309 -2.8757 -2.8757 -1.0773 -1.0773 -0.8367 -0.8367 -0.7215 -0.7215 3.3565 3.3565 6.4370 6.4370 6.7846 6.7846 6.8723 6.8723 7.6648 7.6648 7.7268 7.7268 9.7017 9.7017 12.3243 12.3243 14.4460 14.4460 17.1743 17.1743 k = 0.5109 0.1204 0.0492 ( 2272 PWs) bands (ev): -20.1804 -20.1804 -8.9530 -8.9530 -8.1042 -8.1042 -3.5795 -3.5795 -3.3171 -3.3171 -3.2277 -3.2277 -3.0313 -3.0313 -2.8759 -2.8759 -1.0790 -1.0790 -0.8372 -0.8372 -0.7216 -0.7216 3.3612 3.3612 6.4322 6.4322 6.7854 6.7854 6.8724 6.8724 7.6769 7.6769 7.7348 7.7348 9.6978 9.6978 12.3042 12.3042 14.4375 14.4375 17.1872 17.1872 k = 0.5054 0.1295 0.0667 ( 2280 PWs) bands (ev): -20.1808 -20.1808 -8.9547 -8.9547 -8.1034 -8.1034 -3.5793 -3.5793 -3.3164 -3.3164 -3.2269 -3.2269 -3.0316 -3.0316 -2.8759 -2.8759 -1.0801 -1.0801 -0.8374 -0.8374 -0.7217 -0.7217 3.3641 3.3641 6.4293 6.4293 6.7858 6.7858 6.8724 6.8724 7.6834 7.6834 7.7404 7.7404 9.6955 9.6955 12.2920 12.2920 14.4323 14.4323 17.1931 17.1932 k = 0.5000 0.1386 0.0841 ( 2276 PWs) bands (ev): -20.1810 -20.1810 -8.9553 -8.9553 -8.1031 -8.1031 -3.5792 -3.5792 -3.3162 -3.3162 -3.2266 -3.2266 -3.0316 -3.0316 -2.8760 -2.8760 -1.0805 -1.0805 -0.8375 -0.8375 -0.7217 -0.7217 3.3651 3.3651 6.4283 6.4283 6.7860 6.7860 6.8724 6.8724 7.6855 7.6855 7.7424 7.7424 9.6947 9.6947 12.2880 12.2880 14.4306 14.4306 17.1948 17.1948 k = 0.5000 0.1386 0.0841 ( 2276 PWs) bands (ev): -20.1810 -20.1810 -8.9553 -8.9553 -8.1031 -8.1031 -3.5792 -3.5792 -3.3162 -3.3162 -3.2266 -3.2266 -3.0316 -3.0316 -2.8760 -2.8760 -1.0805 -1.0805 -0.8375 -0.8375 -0.7217 -0.7217 3.3651 3.3651 6.4283 6.4283 6.7860 6.7860 6.8724 6.8724 7.6855 7.6855 7.7424 7.7424 9.6947 9.6947 12.2880 12.2880 14.4306 14.4306 17.1948 17.1948 k = 0.4808 0.1332 0.0809 ( 2276 PWs) bands (ev): -20.1810 -20.1810 -8.9548 -8.9548 -8.1038 -8.1038 -3.5788 -3.5788 -3.3161 -3.3161 -3.2265 -3.2265 -3.0317 -3.0317 -2.8762 -2.8762 -1.0805 -1.0805 -0.8376 -0.8376 -0.7217 -0.7217 3.3647 3.3647 6.4302 6.4302 6.7864 6.7864 6.8728 6.8728 7.6850 7.6850 7.7419 7.7419 9.6912 9.6912 12.2911 12.2911 14.4314 14.4314 17.1957 17.1957 k = 0.4615 0.1279 0.0776 ( 2282 PWs) bands (ev): -20.1810 -20.1810 -8.9533 -8.9533 -8.1057 -8.1057 -3.5778 -3.5778 -3.3157 -3.3157 -3.2263 -3.2263 -3.0319 -3.0319 -2.8770 -2.8770 -1.0807 -1.0807 -0.8380 -0.8380 -0.7217 -0.7217 3.3635 3.3635 6.4357 6.4357 6.7877 6.7877 6.8741 6.8741 7.6836 7.6836 7.7404 7.7404 9.6808 9.6808 12.3003 12.3003 14.4337 14.4337 17.1982 17.1982 k = 0.4423 0.1226 0.0744 ( 2276 PWs) bands (ev): -20.1810 -20.1810 -8.9509 -8.9509 -8.1089 -8.1089 -3.5761 -3.5761 -3.3149 -3.3149 -3.2259 -3.2259 -3.0323 -3.0323 -2.8782 -2.8782 -1.0809 -1.0809 -0.8386 -0.8386 -0.7218 -0.7218 3.3615 3.3615 6.4450 6.4450 6.7899 6.7899 6.8762 6.8762 7.6811 7.6811 7.7379 7.7379 9.6635 9.6635 12.3154 12.3154 14.4375 14.4375 17.2025 17.2025 k = 0.4231 0.1172 0.0712 ( 2273 PWs) bands (ev): -20.1810 -20.1810 -8.9475 -8.9475 -8.1133 -8.1133 -3.5738 -3.5738 -3.3138 -3.3138 -3.2254 -3.2254 -3.0329 -3.0329 -2.8799 -2.8799 -1.0812 -1.0812 -0.8395 -0.8395 -0.7218 -0.7218 3.3588 3.3588 6.4578 6.4578 6.7929 6.7929 6.8790 6.8790 7.6778 7.6778 7.7344 7.7344 9.6399 9.6399 12.3361 12.3361 14.4428 14.4428 17.2083 17.2083 k = 0.4038 0.1119 0.0679 ( 2269 PWs) bands (ev): -20.1810 -20.1810 -8.9431 -8.9431 -8.1189 -8.1189 -3.5708 -3.5708 -3.3125 -3.3125 -3.2248 -3.2248 -3.0335 -3.0335 -2.8822 -2.8822 -1.0817 -1.0817 -0.8406 -0.8406 -0.7219 -0.7219 3.3554 3.3554 6.4740 6.4740 6.7968 6.7968 6.8827 6.8827 7.6735 7.6735 7.7301 7.7301 9.6103 9.6103 12.3620 12.3620 14.4495 14.4495 17.2154 17.2154 k = 0.3846 0.1066 0.0647 ( 2269 PWs) bands (ev): -20.1810 -20.1810 -8.9378 -8.9378 -8.1257 -8.1257 -3.5674 -3.5674 -3.3108 -3.3108 -3.2240 -3.2240 -3.0343 -3.0343 -2.8848 -2.8848 -1.0822 -1.0822 -0.8418 -0.8418 -0.7219 -0.7219 3.3513 3.3513 6.4936 6.4936 6.8015 6.8015 6.8871 6.8871 7.6683 7.6683 7.7248 7.7248 9.5753 9.5753 12.3925 12.3925 14.4574 14.4574 17.2238 17.2238 k = 0.3654 0.1013 0.0615 ( 2275 PWs) bands (ev): -20.1810 -20.1810 -8.9317 -8.9317 -8.1335 -8.1335 -3.5634 -3.5634 -3.3088 -3.3088 -3.2231 -3.2231 -3.0353 -3.0353 -2.8880 -2.8880 -1.0828 -1.0828 -0.8433 -0.8433 -0.7220 -0.7220 3.3467 3.3467 6.5163 6.5163 6.8069 6.8069 6.8923 6.8923 7.6624 7.6624 7.7187 7.7187 9.5353 9.5353 12.4270 12.4270 14.4664 14.4664 17.2331 17.2331 k = 0.3462 0.0959 0.0582 ( 2269 PWs) bands (ev): -20.1811 -20.1811 -8.9247 -8.9247 -8.1424 -8.1424 -3.5590 -3.5590 -3.3065 -3.3065 -3.2221 -3.2221 -3.0363 -3.0363 -2.8916 -2.8916 -1.0835 -1.0835 -0.8449 -0.8449 -0.7221 -0.7221 3.3416 3.3416 6.5419 6.5419 6.8132 6.8132 6.8981 6.8981 7.6556 7.6556 7.7118 7.7118 9.4911 9.4911 12.4649 12.4649 14.4765 14.4765 17.2432 17.2432 k = 0.3269 0.0906 0.0550 ( 2275 PWs) bands (ev): -20.1811 -20.1811 -8.9169 -8.9169 -8.1522 -8.1522 -3.5543 -3.5543 -3.3038 -3.3038 -3.2210 -3.2210 -3.0375 -3.0375 -2.8955 -2.8955 -1.0842 -1.0842 -0.8467 -0.8467 -0.7222 -0.7222 3.3362 3.3362 6.5701 6.5701 6.8202 6.8202 6.9045 6.9045 7.6482 7.6482 7.7042 7.7042 9.4432 9.4432 12.5056 12.5056 14.4874 14.4874 17.2538 17.2538 k = 0.3077 0.0853 0.0518 ( 2269 PWs) bands (ev): -20.1811 -20.1811 -8.9084 -8.9084 -8.1629 -8.1629 -3.5492 -3.5492 -3.3008 -3.3008 -3.2198 -3.2198 -3.0387 -3.0387 -2.8999 -2.8999 -1.0850 -1.0850 -0.8485 -0.8485 -0.7223 -0.7223 3.3304 3.3304 6.6006 6.6006 6.8279 6.8279 6.9116 6.9116 7.6401 7.6401 7.6960 7.6960 9.3923 9.3923 12.5485 12.5485 14.4990 14.4990 17.2645 17.2645 k = 0.2885 0.0799 0.0485 ( 2263 PWs) bands (ev): -20.1811 -20.1811 -8.8993 -8.8993 -8.1743 -8.1743 -3.5440 -3.5440 -3.2974 -3.2974 -3.2185 -3.2185 -3.0400 -3.0400 -2.9046 -2.9046 -1.0859 -1.0859 -0.8505 -0.8505 -0.7225 -0.7225 3.3244 3.3244 6.6331 6.6331 6.8364 6.8364 6.9191 6.9191 7.6315 7.6315 7.6873 7.6873 9.3391 9.3391 12.5929 12.5929 14.5112 14.5112 17.2753 17.2753 k = 0.2692 0.0746 0.0453 ( 2263 PWs) bands (ev): -20.1812 -20.1812 -8.8896 -8.8896 -8.1864 -8.1864 -3.5387 -3.5387 -3.2937 -3.2937 -3.2172 -3.2172 -3.0414 -3.0414 -2.9097 -2.9097 -1.0867 -1.0867 -0.8525 -0.8525 -0.7226 -0.7226 3.3183 3.3183 6.6671 6.6671 6.8457 6.8457 6.9270 6.9270 7.6224 7.6224 7.6782 7.6782 9.2840 9.2840 12.6382 12.6382 14.5237 14.5237 17.2858 17.2858 k = 0.2500 0.0693 0.0420 ( 2260 PWs) bands (ev): -20.1812 -20.1812 -8.8794 -8.8794 -8.1990 -8.1990 -3.5334 -3.5334 -3.2897 -3.2897 -3.2158 -3.2158 -3.0428 -3.0428 -2.9150 -2.9150 -1.0876 -1.0876 -0.8545 -0.8545 -0.7227 -0.7227 3.3121 3.3121 6.7020 6.7020 6.8559 6.8559 6.9352 6.9352 7.6130 7.6130 7.6688 7.6688 9.2279 9.2279 12.6839 12.6839 14.5363 14.5363 17.2958 17.2958 k = 0.2308 0.0640 0.0388 ( 2260 PWs) bands (ev): -20.1812 -20.1812 -8.8688 -8.8688 -8.2120 -8.2120 -3.5282 -3.5282 -3.2855 -3.2855 -3.2144 -3.2144 -3.0443 -3.0443 -2.9205 -2.9205 -1.0886 -1.0886 -0.8565 -0.8565 -0.7228 -0.7228 3.3061 3.3061 6.7370 6.7370 6.8674 6.8674 6.9437 6.9437 7.6033 7.6033 7.6592 7.6592 9.1713 9.1713 12.7292 12.7292 14.5489 14.5489 17.3053 17.3053 k = 0.2115 0.0586 0.0356 ( 2263 PWs) bands (ev): -20.1813 -20.1813 -8.8579 -8.8579 -8.2252 -8.2252 -3.5231 -3.5231 -3.2810 -3.2810 -3.2130 -3.2130 -3.0457 -3.0457 -2.9262 -2.9262 -1.0895 -1.0895 -0.8585 -0.8585 -0.7229 -0.7229 3.3001 3.3001 6.7708 6.7708 6.8807 6.8807 6.9523 6.9523 7.5936 7.5936 7.6495 7.6495 9.1149 9.1149 12.7736 12.7736 14.5612 14.5612 17.3140 17.3140 k = 0.1923 0.0533 0.0323 ( 2263 PWs) bands (ev): -20.1813 -20.1813 -8.8469 -8.8469 -8.2384 -8.2384 -3.5183 -3.5183 -3.2763 -3.2763 -3.2116 -3.2116 -3.0472 -3.0472 -2.9319 -2.9319 -1.0903 -1.0903 -0.8604 -0.8604 -0.7231 -0.7231 3.2944 3.2944 6.8020 6.8020 6.8969 6.8969 6.9609 6.9609 7.5839 7.5839 7.6399 7.6399 9.0593 9.0593 12.8165 12.8165 14.5731 14.5731 17.3220 17.3220 k = 0.1731 0.0480 0.0291 ( 2266 PWs) bands (ev): -20.1813 -20.1813 -8.8360 -8.8360 -8.2515 -8.2515 -3.5138 -3.5138 -3.2714 -3.2714 -3.2103 -3.2103 -3.0486 -3.0486 -2.9377 -2.9377 -1.0912 -1.0912 -0.8623 -0.8623 -0.7232 -0.7232 3.2890 3.2890 6.8285 6.8285 6.9173 6.9173 6.9694 6.9694 7.5743 7.5743 7.6306 7.6306 9.0054 9.0054 12.8575 12.8575 14.5844 14.5844 17.3291 17.3292 k = 0.1538 0.0426 0.0259 ( 2266 PWs) bands (ev): -20.1814 -20.1814 -8.8253 -8.8253 -8.2642 -8.2642 -3.5096 -3.5096 -3.2666 -3.2666 -3.2090 -3.2090 -3.0499 -3.0499 -2.9433 -2.9433 -1.0920 -1.0920 -0.8640 -0.8640 -0.7233 -0.7233 3.2840 3.2840 6.8492 6.8492 6.9421 6.9421 6.9776 6.9776 7.5651 7.5651 7.6216 7.6216 8.9537 8.9537 12.8959 12.8959 14.5949 14.5949 17.3354 17.3354 k = 0.1346 0.0373 0.0226 ( 2263 PWs) bands (ev): -20.1814 -20.1814 -8.8150 -8.8150 -8.2764 -8.2764 -3.5058 -3.5058 -3.2618 -3.2618 -3.2078 -3.2078 -3.0511 -3.0511 -2.9487 -2.9487 -1.0928 -1.0928 -0.8655 -0.8655 -0.7234 -0.7234 3.2794 3.2794 6.8647 6.8647 6.9700 6.9700 6.9854 6.9854 7.5564 7.5564 7.6132 7.6132 8.9051 8.9051 12.9312 12.9312 14.6046 14.6046 17.3406 17.3408 k = 0.1154 0.0320 0.0194 ( 2263 PWs) bands (ev): -20.1814 -20.1814 -8.8054 -8.8054 -8.2877 -8.2877 -3.5024 -3.5024 -3.2573 -3.2573 -3.2067 -3.2067 -3.0523 -3.0523 -2.9538 -2.9538 -1.0934 -1.0934 -0.8669 -0.8669 -0.7235 -0.7235 3.2753 3.2753 6.8765 6.8765 6.9926 6.9926 6.9986 6.9986 7.5484 7.5484 7.6055 7.6055 8.8605 8.8605 12.9630 12.9630 14.6132 14.6132 17.3396 17.3455 k = 0.0962 0.0266 0.0162 ( 2257 PWs) bands (ev): -20.1814 -20.1814 -8.7966 -8.7966 -8.2979 -8.2979 -3.4996 -3.4996 -3.2531 -3.2531 -3.2057 -3.2057 -3.0533 -3.0533 -2.9584 -2.9584 -1.0940 -1.0940 -0.8682 -0.8682 -0.7235 -0.7235 3.2718 3.2718 6.8857 6.8857 6.9990 6.9990 7.0259 7.0259 7.5413 7.5413 7.5987 7.5987 8.8207 8.8207 12.9907 12.9907 14.6206 14.6206 17.3408 17.3476 k = 0.0769 0.0213 0.0129 ( 2257 PWs) bands (ev): -20.1814 -20.1814 -8.7890 -8.7890 -8.3067 -8.3067 -3.4972 -3.4972 -3.2494 -3.2494 -3.2049 -3.2049 -3.0541 -3.0541 -2.9624 -2.9624 -1.0945 -1.0945 -0.8692 -0.8692 -0.7236 -0.7236 3.2688 3.2688 6.8929 6.8929 7.0046 7.0046 7.0503 7.0503 7.5351 7.5351 7.5929 7.5929 8.7865 8.7865 13.0140 13.0140 14.6268 14.6268 17.3418 17.3454 k = 0.0577 0.0160 0.0097 ( 2263 PWs) bands (ev): -20.1815 -20.1815 -8.7827 -8.7827 -8.3140 -8.3140 -3.4954 -3.4954 -3.2464 -3.2464 -3.2042 -3.2042 -3.0548 -3.0548 -2.9657 -2.9657 -1.0949 -1.0949 -0.8700 -0.8700 -0.7237 -0.7237 3.2665 3.2665 6.8983 6.8983 7.0091 7.0091 7.0706 7.0706 7.5302 7.5302 7.5882 7.5882 8.7588 8.7588 13.0325 13.0325 14.6317 14.6317 17.3425 17.3488 k = 0.0385 0.0107 0.0065 ( 2269 PWs) bands (ev): -20.1815 -20.1815 -8.7781 -8.7781 -8.3193 -8.3193 -3.4940 -3.4940 -3.2441 -3.2441 -3.2038 -3.2038 -3.0553 -3.0553 -2.9681 -2.9681 -1.0952 -1.0952 -0.8706 -0.8706 -0.7237 -0.7237 3.2648 3.2648 6.9021 6.9021 7.0123 7.0123 7.0858 7.0858 7.5265 7.5265 7.5848 7.5848 8.7385 8.7385 13.0460 13.0460 14.6352 14.6352 17.3431 17.3444 k = 0.0192 0.0053 0.0032 ( 2263 PWs) bands (ev): -20.1815 -20.1815 -8.7752 -8.7752 -8.3226 -8.3226 -3.4932 -3.4932 -3.2427 -3.2427 -3.2035 -3.2035 -3.0556 -3.0556 -2.9696 -2.9696 -1.0954 -1.0954 -0.8709 -0.8709 -0.7237 -0.7237 3.2638 3.2638 6.9044 6.9044 7.0144 7.0144 7.0952 7.0952 7.5243 7.5243 7.5827 7.5827 8.7260 8.7260 13.0541 13.0541 14.6374 14.6374 17.3434 17.3436 k = 0.0000 0.0000 0.0000 ( 2263 PWs) bands (ev): -20.1815 -20.1815 -8.7743 -8.7743 -8.3237 -8.3237 -3.4929 -3.4929 -3.2422 -3.2422 -3.2034 -3.2034 -3.0557 -3.0557 -2.9701 -2.9701 -1.0955 -1.0955 -0.8711 -0.8711 -0.7237 -0.7237 3.2635 3.2635 6.9052 6.9052 7.0151 7.0151 7.0984 7.0984 7.5236 7.5236 7.5820 7.5820 8.7217 8.7217 13.0569 13.0569 14.6381 14.6381 17.3436 17.3492 k = 0.0000 0.0000 0.0000 ( 2263 PWs) bands (ev): -20.1815 -20.1815 -8.7743 -8.7743 -8.3237 -8.3237 -3.4929 -3.4929 -3.2422 -3.2422 -3.2034 -3.2034 -3.0557 -3.0557 -2.9701 -2.9701 -1.0955 -1.0955 -0.8711 -0.8711 -0.7237 -0.7237 3.2635 3.2635 6.9052 6.9052 7.0151 7.0151 7.0984 7.0984 7.5236 7.5236 7.5820 7.5820 8.7217 8.7217 13.0569 13.0569 14.6381 14.6381 17.3437 17.3438 k = 0.0054-0.0090-0.0174 ( 2261 PWs) bands (ev): -20.1814 -20.1814 -8.7739 -8.7739 -8.3237 -8.3237 -3.4935 -3.4935 -3.2430 -3.2430 -3.2040 -3.2040 -3.0549 -3.0549 -2.9697 -2.9697 -1.0950 -1.0950 -0.8709 -0.8709 -0.7237 -0.7237 3.2632 3.2632 6.9028 6.9028 7.0127 7.0127 7.0973 7.0973 7.5234 7.5234 7.5817 7.5817 8.7266 8.7266 13.0595 13.0595 14.6395 14.6395 17.3424 17.3442 k = 0.0109-0.0181-0.0348 ( 2263 PWs) bands (ev): -20.1810 -20.1810 -8.7727 -8.7727 -8.3236 -8.3236 -3.4951 -3.4951 -3.2455 -3.2455 -3.2058 -3.2058 -3.0525 -3.0525 -2.9685 -2.9685 -1.0935 -1.0935 -0.8704 -0.8704 -0.7235 -0.7235 3.2623 3.2623 6.8953 6.8953 7.0060 7.0060 7.0940 7.0940 7.5229 7.5229 7.5810 7.5810 8.7410 8.7410 13.0673 13.0673 14.6436 14.6436 17.3362 17.3363 k = 0.0163-0.0271-0.0521 ( 2261 PWs) bands (ev): -20.1804 -20.1804 -8.7707 -8.7707 -8.3235 -8.3235 -3.4978 -3.4978 -3.2494 -3.2494 -3.2087 -3.2087 -3.0487 -3.0487 -2.9666 -2.9666 -1.0910 -1.0910 -0.8697 -0.8697 -0.7232 -0.7232 3.2609 3.2609 6.8824 6.8824 6.9956 6.9956 7.0887 7.0887 7.5220 7.5220 7.5798 7.5798 8.7646 8.7646 13.0803 13.0803 14.6504 14.6504 17.3230 17.3230 k = 0.0217-0.0362-0.0695 ( 2269 PWs) bands (ev): -20.1795 -20.1795 -8.7679 -8.7679 -8.3234 -8.3234 -3.5015 -3.5015 -3.2547 -3.2547 -3.2126 -3.2126 -3.0438 -3.0438 -2.9638 -2.9638 -1.0875 -1.0875 -0.8686 -0.8686 -0.7228 -0.7228 3.2588 3.2588 6.8638 6.8638 6.9826 6.9826 7.0818 7.0818 7.5203 7.5203 7.5779 7.5779 8.7968 8.7968 13.0983 13.0983 14.6599 14.6599 17.3038 17.3038 k = 0.0272-0.0452-0.0869 ( 2269 PWs) bands (ev): -20.1784 -20.1784 -8.7644 -8.7644 -8.3232 -8.3232 -3.5062 -3.5062 -3.2614 -3.2614 -3.2174 -3.2174 -3.0379 -3.0379 -2.9603 -2.9603 -1.0831 -1.0831 -0.8673 -0.8673 -0.7222 -0.7222 3.2562 3.2562 6.8394 6.8394 6.9674 6.9674 7.0737 7.0737 7.5177 7.5177 7.5755 7.5755 8.8367 8.8367 13.1212 13.1212 14.6721 14.6721 17.2793 17.2793 k = 0.0326-0.0543-0.1043 ( 2263 PWs) bands (ev): -20.1771 -20.1771 -8.7601 -8.7601 -8.3230 -8.3230 -3.5119 -3.5119 -3.2691 -3.2691 -3.2228 -3.2228 -3.0315 -3.0315 -2.9559 -2.9559 -1.0779 -1.0779 -0.8657 -0.8657 -0.7215 -0.7215 3.2529 3.2529 6.8098 6.8098 6.9504 6.9504 7.0648 7.0648 7.5142 7.5142 7.5724 7.5724 8.8836 8.8836 13.1488 13.1488 14.6869 14.6869 17.2500 17.2500 k = 0.0380-0.0633-0.1217 ( 2259 PWs) bands (ev): -20.1755 -20.1755 -8.7551 -8.7551 -8.3227 -8.3227 -3.5185 -3.5185 -3.2780 -3.2780 -3.2287 -3.2287 -3.0246 -3.0246 -2.9508 -2.9508 -1.0718 -1.0718 -0.8637 -0.8637 -0.7205 -0.7205 3.2491 3.2491 6.7758 6.7758 6.9314 6.9314 7.0556 7.0556 7.5096 7.5096 7.5685 7.5685 8.9366 8.9366 13.1808 13.1808 14.7043 14.7043 17.2164 17.2164 k = 0.0434-0.0724-0.1391 ( 2265 PWs) bands (ev): -20.1737 -20.1737 -8.7493 -8.7493 -8.3225 -8.3225 -3.5260 -3.5260 -3.2879 -3.2879 -3.2351 -3.2351 -3.0177 -3.0177 -2.9448 -2.9448 -1.0649 -1.0649 -0.8616 -0.8616 -0.7193 -0.7193 3.2445 3.2445 6.7385 6.7385 6.9101 6.9101 7.0462 7.0462 7.5040 7.5040 7.5637 7.5637 8.9948 8.9948 13.2169 13.2169 14.7242 14.7242 17.1789 17.1789 k = 0.0489-0.0814-0.1564 ( 2261 PWs) bands (ev): -20.1716 -20.1716 -8.7429 -8.7429 -8.3221 -8.3221 -3.5342 -3.5342 -3.2986 -3.2986 -3.2417 -3.2417 -3.0109 -3.0109 -2.9379 -2.9379 -1.0574 -1.0574 -0.8591 -0.8591 -0.7179 -0.7179 3.2394 3.2394 6.6989 6.6989 6.8862 6.8862 7.0369 7.0369 7.4974 7.4974 7.5581 7.5581 9.0574 9.0574 13.2569 13.2569 14.7465 14.7465 17.1380 17.1380 k = 0.0543-0.0904-0.1738 ( 2261 PWs) bands (ev): -20.1694 -20.1694 -8.7357 -8.7357 -8.3218 -8.3218 -3.5433 -3.5433 -3.3102 -3.3102 -3.2484 -3.2484 -3.0043 -3.0043 -2.9303 -2.9303 -1.0492 -1.0492 -0.8565 -0.8565 -0.7161 -0.7161 3.2335 3.2335 6.6578 6.6578 6.8597 6.8597 7.0278 7.0278 7.4900 7.4900 7.5514 7.5514 9.1235 9.1235 13.3004 13.3004 14.7712 14.7712 17.0939 17.0939 k = 0.0597-0.0995-0.1912 ( 2267 PWs) bands (ev): -20.1669 -20.1669 -8.7279 -8.7279 -8.3214 -8.3214 -3.5530 -3.5530 -3.3226 -3.3226 -3.2553 -3.2553 -2.9982 -2.9982 -2.9218 -2.9218 -1.0405 -1.0405 -0.8536 -0.8536 -0.7140 -0.7140 3.2271 3.2271 6.6160 6.6160 6.8307 6.8307 7.0188 7.0188 7.4817 7.4817 7.5437 7.5437 9.1926 9.1926 13.3470 13.3470 14.7982 14.7982 17.0468 17.0468 k = 0.0652-0.1085-0.2086 ( 2269 PWs) bands (ev): -20.1643 -20.1643 -8.7195 -8.7195 -8.3210 -8.3210 -3.5634 -3.5634 -3.3355 -3.3355 -3.2622 -3.2622 -2.9924 -2.9924 -2.9125 -2.9125 -1.0314 -1.0314 -0.8505 -0.8505 -0.7115 -0.7115 3.2199 3.2199 6.5740 6.5740 6.7993 6.7993 7.0098 7.0098 7.4728 7.4728 7.5351 7.5351 9.2639 9.2639 13.3964 13.3964 14.8274 14.8274 16.9965 16.9965 k = 0.0706-0.1176-0.2260 ( 2265 PWs) bands (ev): -20.1614 -20.1614 -8.7105 -8.7105 -8.3206 -8.3206 -3.5744 -3.5744 -3.3489 -3.3489 -3.2691 -3.2691 -2.9871 -2.9871 -2.9027 -2.9027 -1.0219 -1.0219 -0.8474 -0.8474 -0.7085 -0.7085 3.2121 3.2121 6.5323 6.5323 6.7659 6.7659 7.0007 7.0007 7.4633 7.4633 7.5254 7.5254 9.3369 9.3369 13.4481 13.4481 14.8586 14.8586 16.9425 16.9425 k = 0.0760-0.1266-0.2433 ( 2265 PWs) bands (ev): -20.1584 -20.1584 -8.7009 -8.7009 -8.3201 -8.3201 -3.5860 -3.5860 -3.3626 -3.3626 -3.2761 -3.2761 -2.9822 -2.9822 -2.8923 -2.8923 -1.0122 -1.0122 -0.8441 -0.8441 -0.7049 -0.7049 3.2037 3.2037 6.4912 6.4912 6.7306 6.7306 6.9914 6.9914 7.4531 7.4531 7.5147 7.5147 9.4111 9.4111 13.5018 13.5018 14.8919 14.8919 16.8834 16.8834 k = 0.0815-0.1357-0.2607 ( 2265 PWs) bands (ev): -20.1552 -20.1552 -8.6907 -8.6907 -8.3196 -8.3196 -3.5981 -3.5981 -3.3766 -3.3766 -3.2831 -3.2831 -2.9776 -2.9776 -2.8816 -2.8816 -1.0023 -1.0023 -0.8407 -0.8407 -0.7008 -0.7008 3.1947 3.1947 6.4510 6.4510 6.6938 6.6938 6.9818 6.9818 7.4425 7.4425 7.5030 7.5030 9.4859 9.4859 13.5570 13.5570 14.9270 14.9270 16.8175 16.8175 k = 0.0869-0.1447-0.2781 ( 2263 PWs) bands (ev): -20.1518 -20.1518 -8.6801 -8.6801 -8.3191 -8.3191 -3.6107 -3.6107 -3.3907 -3.3907 -3.2901 -3.2901 -2.9733 -2.9733 -2.8705 -2.8705 -0.9922 -0.9922 -0.8374 -0.8374 -0.6959 -0.6959 3.1851 3.1851 6.4120 6.4120 6.6556 6.6556 6.9718 6.9718 7.4315 7.4315 7.4904 7.4904 9.5611 9.5611 13.6131 13.6131 14.9640 14.9640 16.7426 16.7426 k = 0.0923-0.1538-0.2955 ( 2267 PWs) bands (ev): -20.1483 -20.1483 -8.6690 -8.6690 -8.3186 -8.3186 -3.6238 -3.6238 -3.4047 -3.4047 -3.2972 -3.2972 -2.9692 -2.9692 -2.8593 -2.8593 -0.9822 -0.9822 -0.8341 -0.8341 -0.6904 -0.6904 3.1750 3.1750 6.3741 6.3741 6.6166 6.6166 6.9613 6.9613 7.4201 7.4201 7.4768 7.4768 9.6360 9.6360 13.6699 13.6699 15.0026 15.0026 16.6579 16.6579 k = 0.0977-0.1628-0.3129 ( 2269 PWs) bands (ev): -20.1446 -20.1446 -8.6575 -8.6575 -8.3181 -8.3181 -3.6374 -3.6374 -3.4187 -3.4187 -3.3045 -3.3045 -2.9653 -2.9653 -2.8481 -2.8481 -0.9721 -0.9721 -0.8308 -0.8308 -0.6841 -0.6841 3.1644 3.1644 6.3375 6.3375 6.5768 6.5768 6.9504 6.9504 7.4084 7.4084 7.4623 7.4623 9.7105 9.7105 13.7267 13.7267 15.0428 15.0428 16.5643 16.5643 k = 0.1032-0.1718-0.3302 ( 2269 PWs) bands (ev): -20.1408 -20.1408 -8.6456 -8.6456 -8.3175 -8.3175 -3.6513 -3.6513 -3.4324 -3.4324 -3.3118 -3.3118 -2.9616 -2.9616 -2.8368 -2.8368 -0.9622 -0.9622 -0.8277 -0.8277 -0.6770 -0.6770 3.1534 3.1534 6.3021 6.3021 6.5367 6.5367 6.9388 6.9388 7.3964 7.3964 7.4471 7.4471 9.7842 9.7842 13.7832 13.7832 15.0845 15.0845 16.4644 16.4644 k = 0.1086-0.1809-0.3476 ( 2271 PWs) bands (ev): -20.1369 -20.1369 -8.6333 -8.6333 -8.3170 -8.3170 -3.6656 -3.6656 -3.4458 -3.4458 -3.3192 -3.3192 -2.9581 -2.9581 -2.8256 -2.8256 -0.9525 -0.9525 -0.8247 -0.8247 -0.6692 -0.6692 3.1421 3.1421 6.2679 6.2679 6.4964 6.4964 6.9266 6.9266 7.3842 7.3842 7.4310 7.4310 9.8568 9.8568 13.8389 13.8389 15.1275 15.1275 16.3609 16.3609 k = 0.1140-0.1899-0.3650 ( 2267 PWs) bands (ev): -20.1329 -20.1329 -8.6207 -8.6207 -8.3164 -8.3164 -3.6803 -3.6803 -3.4587 -3.4587 -3.3268 -3.3268 -2.9546 -2.9546 -2.8145 -2.8145 -0.9429 -0.9429 -0.8218 -0.8218 -0.6606 -0.6606 3.1306 3.1306 6.2347 6.2347 6.4563 6.4563 6.9137 6.9137 7.3719 7.3719 7.4143 7.4143 9.9281 9.9281 13.8933 13.8933 15.1718 15.1718 16.2561 16.2561 k = 0.1195-0.1990-0.3824 ( 2263 PWs) bands (ev): -20.1288 -20.1288 -8.6079 -8.6079 -8.3158 -8.3158 -3.6952 -3.6952 -3.4713 -3.4713 -3.3344 -3.3344 -2.9512 -2.9512 -2.8036 -2.8036 -0.9335 -0.9335 -0.8191 -0.8191 -0.6513 -0.6513 3.1189 3.1189 6.2023 6.2023 6.4167 6.4167 6.9001 6.9001 7.3593 7.3593 7.3972 7.3972 9.9978 9.9978 13.9461 13.9461 15.2172 15.2172 16.1518 16.1518 k = 0.1249-0.2080-0.3998 ( 2271 PWs) bands (ev): -20.1246 -20.1246 -8.5949 -8.5949 -8.3152 -8.3152 -3.7104 -3.7104 -3.4833 -3.4833 -3.3423 -3.3423 -2.9478 -2.9478 -2.7929 -2.7929 -0.9243 -0.9243 -0.8164 -0.8164 -0.6414 -0.6414 3.1072 3.1072 6.1706 6.1706 6.3779 6.3779 6.8858 6.8858 7.3465 7.3465 7.3797 7.3797 10.0657 10.0657 13.9967 13.9967 15.2635 15.2635 16.0492 16.0492 k = 0.1303-0.2171-0.4172 ( 2269 PWs) bands (ev): -20.1204 -20.1204 -8.5817 -8.5817 -8.3146 -8.3146 -3.7257 -3.7257 -3.4949 -3.4949 -3.3502 -3.3502 -2.9445 -2.9445 -2.7825 -2.7825 -0.9154 -0.9154 -0.8139 -0.8139 -0.6309 -0.6309 3.0956 3.0956 6.1392 6.1392 6.3402 6.3402 6.8706 6.8706 7.3332 7.3332 7.3623 7.3623 10.1316 10.1316 14.0449 14.0449 15.3107 15.3107 15.9494 15.9494 k = 0.1358-0.2261-0.4345 ( 2275 PWs) bands (ev): -20.1161 -20.1161 -8.5684 -8.5684 -8.3140 -8.3140 -3.7411 -3.7411 -3.5059 -3.5059 -3.3584 -3.3584 -2.9411 -2.9411 -2.7723 -2.7723 -0.9068 -0.9068 -0.8114 -0.8114 -0.6200 -0.6200 3.0840 3.0840 6.1079 6.1079 6.3038 6.3038 6.8546 6.8546 7.3192 7.3192 7.3455 7.3455 10.1955 10.1955 14.0904 14.0904 15.3584 15.3584 15.8532 15.8532 k = 0.1412-0.2352-0.4519 ( 2273 PWs) bands (ev): -20.1117 -20.1117 -8.5550 -8.5550 -8.3134 -8.3134 -3.7565 -3.7565 -3.5164 -3.5164 -3.3666 -3.3666 -2.9378 -2.9378 -2.7625 -2.7625 -0.8984 -0.8984 -0.8089 -0.8089 -0.6087 -0.6087 3.0728 3.0728 6.0764 6.0764 6.2690 6.2690 6.8378 6.8378 7.3040 7.3040 7.3298 7.3298 10.2571 10.2571 14.1329 14.1329 15.4064 15.4064 15.7615 15.7615 k = 0.1466-0.2442-0.4693 ( 2273 PWs) bands (ev): -20.1074 -20.1074 -8.5415 -8.5415 -8.3127 -8.3127 -3.7719 -3.7719 -3.5264 -3.5264 -3.3750 -3.3750 -2.9344 -2.9344 -2.7531 -2.7531 -0.8902 -0.8902 -0.8063 -0.8063 -0.5972 -0.5972 3.0619 3.0619 6.0445 6.0445 6.2358 6.2358 6.8202 6.8202 7.2875 7.2875 7.3157 7.3157 10.3164 10.3164 14.1723 14.1723 15.4533 15.4533 15.6758 15.6758 k = 0.1520-0.2532-0.4867 ( 2271 PWs) bands (ev): -20.1030 -20.1030 -8.5281 -8.5281 -8.3121 -8.3121 -3.7872 -3.7872 -3.5359 -3.5359 -3.3835 -3.3835 -2.9309 -2.9309 -2.7440 -2.7440 -0.8824 -0.8824 -0.8037 -0.8037 -0.5855 -0.5855 3.0514 3.0514 6.0120 6.0120 6.2044 6.2044 6.8017 6.8017 7.2699 7.2699 7.3033 7.3033 10.3732 10.3732 14.2084 14.2084 15.4936 15.4936 15.6021 15.6021 k = 0.1575-0.2623-0.5041 ( 2271 PWs) bands (ev): -20.0986 -20.0986 -8.5147 -8.5147 -8.3114 -8.3114 -3.8023 -3.8023 -3.5449 -3.5449 -3.3921 -3.3921 -2.9274 -2.9274 -2.7354 -2.7354 -0.8747 -0.8747 -0.8009 -0.8009 -0.5738 -0.5738 3.0415 3.0415 5.9790 5.9790 6.1746 6.1746 6.7823 6.7823 7.2517 7.2517 7.2921 7.2921 10.4277 10.4277 14.2414 14.2414 15.4853 15.4853 15.5824 15.5824 k = 0.1629-0.2713-0.5214 ( 2271 PWs) bands (ev): -20.0943 -20.0943 -8.5013 -8.5013 -8.3107 -8.3107 -3.8171 -3.8171 -3.5536 -3.5536 -3.4008 -3.4008 -2.9237 -2.9237 -2.7271 -2.7271 -0.8674 -0.8674 -0.7979 -0.7979 -0.5621 -0.5621 3.0322 3.0322 5.9455 5.9455 6.1463 6.1463 6.7620 6.7620 7.2335 7.2335 7.2819 7.2819 10.4797 10.4797 14.2712 14.2712 15.4244 15.4244 15.6210 15.6210 k = 0.1683-0.2804-0.5388 ( 2271 PWs) bands (ev): -20.0899 -20.0899 -8.4881 -8.4881 -8.3101 -8.3101 -3.8316 -3.8316 -3.5619 -3.5619 -3.4095 -3.4095 -2.9200 -2.9200 -2.7193 -2.7193 -0.8603 -0.8603 -0.7947 -0.7947 -0.5506 -0.5506 3.0236 3.0236 5.9116 5.9116 6.1191 6.1191 6.7408 6.7408 7.2155 7.2155 7.2728 7.2728 10.5292 10.5292 14.2979 14.2979 15.3600 15.3600 15.6688 15.6688 k = 0.1738-0.2894-0.5562 ( 2277 PWs) bands (ev): -20.0857 -20.0857 -8.4751 -8.4751 -8.3094 -8.3094 -3.8458 -3.8458 -3.5700 -3.5700 -3.4184 -3.4184 -2.9161 -2.9161 -2.7119 -2.7119 -0.8535 -0.8535 -0.7912 -0.7912 -0.5393 -0.5393 3.0158 3.0158 5.8775 5.8775 6.0927 6.0927 6.7187 6.7187 7.1982 7.1982 7.2645 7.2645 10.5764 10.5764 14.3217 14.3217 15.2995 15.2995 15.7184 15.7184 k = 0.1792-0.2985-0.5736 ( 2275 PWs) bands (ev): -20.0814 -20.0814 -8.4623 -8.4623 -8.3086 -8.3086 -3.8595 -3.8595 -3.5777 -3.5777 -3.4272 -3.4272 -2.9121 -2.9121 -2.7049 -2.7049 -0.8469 -0.8469 -0.7875 -0.7875 -0.5283 -0.5283 3.0088 3.0088 5.8434 5.8434 6.0669 6.0669 6.6957 6.6957 7.1818 7.1818 7.2571 7.2571 10.6212 10.6212 14.3429 14.3429 15.2443 15.2443 15.7685 15.7685 k = 0.1846-0.3075-0.5910 ( 2279 PWs) bands (ev): -20.0773 -20.0773 -8.4497 -8.4497 -8.3079 -8.3079 -3.8727 -3.8727 -3.5853 -3.5853 -3.4360 -3.4360 -2.9080 -2.9080 -2.6983 -2.6983 -0.8406 -0.8406 -0.7834 -0.7834 -0.5177 -0.5177 3.0027 3.0027 5.8095 5.8095 6.0414 6.0414 6.6717 6.6717 7.1665 7.1665 7.2506 7.2506 10.6639 10.6639 14.3617 14.3617 15.1947 15.1947 15.8184 15.8184 k = 0.1901-0.3166-0.6083 ( 2283 PWs) bands (ev): -20.0732 -20.0732 -8.4374 -8.4374 -8.3072 -8.3072 -3.8854 -3.8854 -3.5928 -3.5928 -3.4447 -3.4447 -2.9036 -2.9036 -2.6923 -2.6923 -0.8345 -0.8345 -0.7791 -0.7791 -0.5075 -0.5075 2.9975 2.9975 5.7759 5.7759 6.0158 6.0158 6.6468 6.6468 7.1526 7.1526 7.2450 7.2450 10.7044 10.7044 14.3784 14.3784 15.1509 15.1509 15.8680 15.8680 k = 0.1955-0.3256-0.6257 ( 2281 PWs) bands (ev): -20.0692 -20.0692 -8.4254 -8.4254 -8.3064 -8.3064 -3.8975 -3.8975 -3.6002 -3.6002 -3.4534 -3.4534 -2.8991 -2.8991 -2.6866 -2.6866 -0.8287 -0.8287 -0.7744 -0.7744 -0.4979 -0.4979 2.9932 2.9932 5.7429 5.7429 5.9900 5.9900 6.6210 6.6210 7.1402 7.1402 7.2404 7.2404 10.7429 10.7429 14.3932 14.3932 15.1130 15.1130 15.9170 15.9170 k = 0.2009-0.3346-0.6431 ( 2285 PWs) bands (ev): -20.0653 -20.0653 -8.4138 -8.4138 -8.3056 -8.3056 -3.9091 -3.9091 -3.6076 -3.6076 -3.4619 -3.4619 -2.8944 -2.8944 -2.6814 -2.6814 -0.8229 -0.8229 -0.7694 -0.7694 -0.4888 -0.4888 2.9899 2.9899 5.7106 5.7106 5.9639 5.9639 6.5942 6.5942 7.1294 7.1294 7.2367 7.2367 10.7796 10.7796 14.4065 14.4065 15.0809 15.0809 15.9651 15.9651 k = 0.2063-0.3437-0.6605 ( 2279 PWs) bands (ev): -20.0615 -20.0615 -8.4025 -8.4025 -8.3048 -8.3048 -3.9199 -3.9199 -3.6150 -3.6150 -3.4702 -3.4702 -2.8895 -2.8895 -2.6767 -2.6767 -0.8173 -0.8173 -0.7642 -0.7642 -0.4803 -0.4803 2.9874 2.9874 5.6790 5.6790 5.9374 5.9374 6.5664 6.5664 7.1204 7.1204 7.2340 7.2340 10.8147 10.8147 14.4186 14.4186 15.0547 15.0547 16.0120 16.0120 k = 0.2118-0.3527-0.6779 ( 2279 PWs) bands (ev): -20.0578 -20.0578 -8.3916 -8.3916 -8.3039 -8.3039 -3.9302 -3.9302 -3.6225 -3.6225 -3.4784 -3.4784 -2.8843 -2.8843 -2.6724 -2.6724 -0.8118 -0.8118 -0.7588 -0.7588 -0.4725 -0.4725 2.9860 2.9860 5.6482 5.6482 5.9105 5.9105 6.5377 6.5377 7.1132 7.1132 7.2324 7.2324 10.8481 10.8481 14.4297 14.4297 15.0340 15.0340 16.0576 16.0576 k = 0.2172-0.3618-0.6953 ( 2279 PWs) bands (ev): -20.0543 -20.0543 -8.3812 -8.3812 -8.3031 -8.3031 -3.9397 -3.9397 -3.6302 -3.6302 -3.4862 -3.4862 -2.8790 -2.8790 -2.6685 -2.6685 -0.8063 -0.8063 -0.7532 -0.7532 -0.4654 -0.4654 2.9854 2.9854 5.6184 5.6184 5.8832 5.8832 6.5081 6.5081 7.1079 7.1079 7.2317 7.2317 10.8803 10.8803 14.4402 14.4402 15.0189 15.0189 16.1015 16.1015 k = 0.2226-0.3708-0.7126 ( 2279 PWs) bands (ev): -20.0509 -20.0509 -8.3712 -8.3712 -8.3021 -8.3021 -3.9486 -3.9486 -3.6380 -3.6380 -3.4938 -3.4938 -2.8734 -2.8734 -2.6651 -2.6651 -0.8009 -0.8009 -0.7474 -0.7474 -0.4589 -0.4589 2.9857 2.9857 5.5897 5.5897 5.8556 5.8556 6.4775 6.4775 7.1044 7.1044 7.2321 7.2321 10.9111 10.9111 14.4503 14.4503 15.0090 15.0090 16.1435 16.1435 k = 0.2281-0.3799-0.7300 ( 2279 PWs) bands (ev): -20.0476 -20.0476 -8.3617 -8.3617 -8.3012 -8.3012 -3.9567 -3.9567 -3.6460 -3.6460 -3.5011 -3.5011 -2.8676 -2.8676 -2.6622 -2.6622 -0.7954 -0.7954 -0.7415 -0.7415 -0.4532 -0.4532 2.9868 2.9868 5.5619 5.5619 5.8280 5.8280 6.4460 6.4460 7.1027 7.1027 7.2335 7.2335 10.9409 10.9409 14.4604 14.4604 15.0042 15.0042 16.1833 16.1833 k = 0.2335-0.3889-0.7474 ( 2279 PWs) bands (ev): -20.0445 -20.0445 -8.3527 -8.3527 -8.3002 -8.3002 -3.9641 -3.9641 -3.6543 -3.6543 -3.5080 -3.5080 -2.8615 -2.8615 -2.6597 -2.6597 -0.7900 -0.7900 -0.7355 -0.7355 -0.4483 -0.4483 2.9886 2.9886 5.5353 5.5353 5.8004 5.8004 6.4137 6.4137 7.1028 7.1028 7.2358 7.2358 10.9698 10.9698 14.4708 14.4708 15.0043 15.0043 16.2204 16.2204 k = 0.2389-0.3980-0.7648 ( 2281 PWs) bands (ev): -20.0415 -20.0415 -8.3443 -8.3443 -8.2991 -8.2991 -3.9708 -3.9708 -3.6627 -3.6627 -3.5146 -3.5146 -2.8553 -2.8553 -2.6576 -2.6576 -0.7845 -0.7845 -0.7294 -0.7294 -0.4441 -0.4441 2.9912 2.9912 5.5098 5.5098 5.7732 5.7732 6.3805 6.3805 7.1045 7.1045 7.2392 7.2392 10.9978 10.9978 14.4816 14.4816 15.0089 15.0089 16.2547 16.2547 k = 0.2444-0.4070-0.7822 ( 2281 PWs) bands (ev): -20.0387 -20.0387 -8.3364 -8.3364 -8.2980 -8.2980 -3.9767 -3.9767 -3.6714 -3.6714 -3.5208 -3.5208 -2.8488 -2.8488 -2.6560 -2.6560 -0.7791 -0.7791 -0.7232 -0.7232 -0.4407 -0.4407 2.9944 2.9944 5.4855 5.4855 5.7467 5.7467 6.3465 6.3465 7.1077 7.1077 7.2434 7.2434 11.0251 11.0251 14.4932 14.4932 15.0177 15.0177 16.2856 16.2856 k = 0.2498-0.4160-0.7995 ( 2281 PWs) bands (ev): -20.0361 -20.0361 -8.3291 -8.3291 -8.2968 -8.2968 -3.9819 -3.9819 -3.6802 -3.6802 -3.5267 -3.5267 -2.8422 -2.8422 -2.6548 -2.6548 -0.7737 -0.7737 -0.7170 -0.7170 -0.4380 -0.4380 2.9982 2.9982 5.4624 5.4624 5.7210 5.7210 6.3118 6.3118 7.1122 7.1122 7.2486 7.2486 11.0516 11.0516 14.5058 14.5058 15.0306 15.0306 16.3130 16.3130 k = 0.2552-0.4251-0.8169 ( 2279 PWs) bands (ev): -20.0337 -20.0337 -8.3224 -8.3224 -8.2955 -8.2955 -3.9863 -3.9863 -3.6891 -3.6891 -3.5322 -3.5322 -2.8353 -2.8353 -2.6541 -2.6541 -0.7683 -0.7683 -0.7107 -0.7107 -0.4361 -0.4361 3.0025 3.0025 5.4404 5.4404 5.6965 5.6965 6.2764 6.2764 7.1180 7.1180 7.2547 7.2547 11.0776 11.0776 14.5195 14.5195 15.0473 15.0473 16.3362 16.3362 k = 0.2606-0.4341-0.8343 ( 2291 PWs) bands (ev): -20.0314 -20.0314 -8.3164 -8.3164 -8.2941 -8.2941 -3.9901 -3.9901 -3.6982 -3.6982 -3.5374 -3.5374 -2.8283 -2.8283 -2.6538 -2.6538 -0.7631 -0.7631 -0.7043 -0.7043 -0.4349 -0.4349 3.0072 3.0072 5.4197 5.4197 5.6735 5.6735 6.2404 6.2404 7.1248 7.1248 7.2616 7.2616 11.1030 11.1030 14.5344 14.5344 15.0675 15.0675 16.3549 16.3549 k = 0.2661-0.4432-0.8517 ( 2295 PWs) bands (ev): -20.0293 -20.0293 -8.3111 -8.3111 -8.2925 -8.2925 -3.9931 -3.9931 -3.7073 -3.7073 -3.5422 -3.5422 -2.8212 -2.8212 -2.6539 -2.6539 -0.7579 -0.7579 -0.6978 -0.6978 -0.4344 -0.4344 3.0123 3.0123 5.4003 5.4003 5.6523 5.6523 6.2038 6.2038 7.1325 7.1325 7.2692 7.2692 11.1277 11.1277 14.5506 14.5506 15.0910 15.0910 16.3681 16.3681 k = 0.2715-0.4522-0.8691 ( 2293 PWs) bands (ev): -20.0274 -20.0274 -8.3066 -8.3066 -8.2907 -8.2907 -3.9954 -3.9954 -3.7163 -3.7163 -3.5467 -3.5467 -2.8139 -2.8139 -2.6545 -2.6545 -0.7530 -0.7530 -0.6914 -0.6914 -0.4347 -0.4347 3.0176 3.0176 5.3821 5.3821 5.6330 5.6330 6.1667 6.1667 7.1410 7.1410 7.2776 7.2776 11.1519 11.1519 14.5682 14.5682 15.1176 15.1176 16.3720 16.3720 k = 0.2769-0.4613-0.8864 ( 2293 PWs) bands (ev): -20.0257 -20.0257 -8.3028 -8.3028 -8.2887 -8.2887 -3.9971 -3.9971 -3.7253 -3.7253 -3.5509 -3.5509 -2.8065 -2.8065 -2.6556 -2.6556 -0.7482 -0.7482 -0.6849 -0.6849 -0.4355 -0.4355 3.0231 3.0231 5.3653 5.3653 5.6160 5.6160 6.1292 6.1292 7.1501 7.1501 7.2867 7.2867 11.1753 11.1753 14.5872 14.5872 15.1470 15.1470 16.3322 16.3322 k = 0.2824-0.4703-0.9038 ( 2297 PWs) bands (ev): -20.0241 -20.0241 -8.2998 -8.2998 -8.2865 -8.2865 -3.9981 -3.9981 -3.7340 -3.7340 -3.5548 -3.5548 -2.7992 -2.7992 -2.6571 -2.6571 -0.7438 -0.7438 -0.6784 -0.6784 -0.4369 -0.4369 3.0288 3.0288 5.3498 5.3498 5.6015 5.6015 6.0914 6.0914 7.1596 7.1596 7.2963 7.2963 11.1980 11.1980 14.6073 14.6073 15.1790 15.1790 16.2581 16.2581 k = 0.2878-0.4794-0.9212 ( 2297 PWs) bands (ev): -20.0227 -20.0227 -8.2974 -8.2974 -8.2842 -8.2842 -3.9986 -3.9986 -3.7425 -3.7425 -3.5583 -3.5583 -2.7918 -2.7918 -2.6590 -2.6590 -0.7396 -0.7396 -0.6721 -0.6721 -0.4388 -0.4388 3.0344 3.0344 5.3359 5.3359 5.5894 5.5894 6.0534 6.0534 7.1694 7.1694 7.3064 7.3064 11.2198 11.2198 14.6284 14.6284 15.2134 15.2134 16.1826 16.1826 k = 0.2932-0.4884-0.9386 ( 2297 PWs) bands (ev): -20.0215 -20.0215 -8.2954 -8.2954 -8.2820 -8.2820 -3.9986 -3.9986 -3.7506 -3.7506 -3.5616 -3.5616 -2.7845 -2.7845 -2.6613 -2.6613 -0.7357 -0.7357 -0.6659 -0.6659 -0.4410 -0.4410 3.0401 3.0401 5.3235 5.3235 5.5801 5.5801 6.0153 6.0153 7.1794 7.1794 7.3170 7.3170 11.2406 11.2406 14.6503 14.6503 15.2498 15.2498 16.1092 16.1092 k = 0.2987-0.4974-0.9560 ( 2297 PWs) bands (ev): -20.0204 -20.0204 -8.2938 -8.2938 -8.2800 -8.2800 -3.9981 -3.9981 -3.7581 -3.7581 -3.5645 -3.5645 -2.7773 -2.7773 -2.6639 -2.6639 -0.7322 -0.7322 -0.6600 -0.6600 -0.4435 -0.4435 3.0456 3.0456 5.3127 5.3127 5.5734 5.5734 5.9773 5.9773 7.1894 7.1894 7.3280 7.3280 11.2603 11.2603 14.6725 14.6725 15.2878 15.2878 16.0393 16.0393 k = 0.3041-0.5065-0.9734 ( 2297 PWs) bands (ev): -20.0196 -20.0196 -8.2924 -8.2924 -8.2783 -8.2783 -3.9974 -3.9974 -3.7651 -3.7651 -3.5672 -3.5672 -2.7705 -2.7705 -2.6668 -2.6668 -0.7291 -0.7291 -0.6546 -0.6546 -0.4461 -0.4461 3.0510 3.0510 5.3037 5.3037 5.5695 5.5695 5.9394 5.9394 7.1994 7.1994 7.3392 7.3392 11.2787 11.2787 14.6943 14.6943 15.3269 15.3269 15.9740 15.9740 k = 0.3095-0.5155-0.9907 ( 2293 PWs) bands (ev): -20.0189 -20.0189 -8.2913 -8.2913 -8.2770 -8.2770 -3.9963 -3.9963 -3.7713 -3.7713 -3.5695 -3.5695 -2.7639 -2.7639 -2.6699 -2.6699 -0.7264 -0.7264 -0.6497 -0.6497 -0.4486 -0.4486 3.0561 3.0561 5.2965 5.2965 5.5681 5.5681 5.9020 5.9020 7.2092 7.2092 7.3507 7.3507 11.2956 11.2956 14.7149 14.7149 15.3663 15.3663 15.9146 15.9146 k = 0.3149-0.5246-1.0081 ( 2295 PWs) bands (ev): -20.0183 -20.0183 -8.2902 -8.2902 -8.2760 -8.2760 -3.9952 -3.9952 -3.7766 -3.7766 -3.5715 -3.5715 -2.7580 -2.7580 -2.6729 -2.6729 -0.7240 -0.7240 -0.6456 -0.6456 -0.4509 -0.4509 3.0610 3.0610 5.2912 5.2912 5.5692 5.5692 5.8652 5.8652 7.2187 7.2187 7.3622 7.3622 11.3108 11.3108 14.7334 14.7334 15.4049 15.4049 15.8630 15.8630 k = 0.3204-0.5336-1.0255 ( 2293 PWs) bands (ev): -20.0179 -20.0179 -8.2894 -8.2894 -8.2753 -8.2753 -3.9942 -3.9942 -3.7809 -3.7809 -3.5732 -3.5732 -2.7530 -2.7530 -2.6758 -2.6758 -0.7222 -0.7222 -0.6425 -0.6425 -0.4526 -0.4526 3.0656 3.0656 5.2878 5.2878 5.5726 5.5726 5.8296 5.8296 7.2279 7.2279 7.3738 7.3738 11.3242 11.3242 14.7482 14.7482 15.4409 15.4409 15.8215 15.8215 k = 0.3258-0.5427-1.0429 ( 2291 PWs) bands (ev): -20.0176 -20.0176 -8.2888 -8.2888 -8.2749 -8.2749 -3.9934 -3.9934 -3.7840 -3.7840 -3.5745 -3.5745 -2.7491 -2.7491 -2.6780 -2.6780 -0.7209 -0.7209 -0.6404 -0.6404 -0.4536 -0.4536 3.0697 3.0697 5.2862 5.2862 5.5778 5.5778 5.7956 5.7956 7.2367 7.2367 7.3854 7.3854 11.3356 11.3356 14.7579 14.7579 15.4722 15.4722 15.7930 15.7930 k = 0.3312-0.5517-1.0603 ( 2283 PWs) bands (ev): -20.0175 -20.0175 -8.2885 -8.2885 -8.2747 -8.2747 -3.9929 -3.9929 -3.7857 -3.7857 -3.5754 -3.5754 -2.7469 -2.7469 -2.6793 -2.6793 -0.7201 -0.7201 -0.6395 -0.6395 -0.4537 -0.4537 3.0735 3.0735 5.2864 5.2864 5.5842 5.5842 5.7642 5.7642 7.2449 7.2449 7.3968 7.3968 11.3448 11.3448 14.7608 14.7608 15.4962 15.4962 15.7798 15.7798 k = 0.3367-0.5608-1.0776 ( 2283 PWs) bands (ev): -20.0175 -20.0175 -8.2884 -8.2884 -8.2747 -8.2747 -3.9929 -3.9929 -3.7860 -3.7860 -3.5759 -3.5759 -2.7467 -2.7467 -2.6793 -2.6793 -0.7201 -0.7201 -0.6397 -0.6397 -0.4528 -0.4528 3.0769 3.0769 5.2879 5.2879 5.5903 5.5903 5.7371 5.7371 7.2527 7.2527 7.4080 7.4080 11.3517 11.3517 14.7555 14.7555 15.5120 15.5120 15.7812 15.7812 k = 0.3421-0.5698-1.0950 ( 2281 PWs) bands (ev): -20.0176 -20.0176 -8.2888 -8.2888 -8.2746 -8.2746 -3.9934 -3.9934 -3.7848 -3.7848 -3.5760 -3.5760 -2.7486 -2.7486 -2.6778 -2.6778 -0.7208 -0.7208 -0.6411 -0.6411 -0.4508 -0.4508 3.0799 3.0799 5.2904 5.2904 5.5939 5.5939 5.7171 5.7171 7.2598 7.2598 7.4189 7.4189 11.3561 11.3561 14.7411 14.7411 15.5207 15.5207 15.7922 15.7922 k = 0.6579-0.4312-1.0109 ( 2281 PWs) bands (ev): -20.0176 -20.0176 -8.2888 -8.2888 -8.2746 -8.2746 -3.9934 -3.9934 -3.7848 -3.7848 -3.5760 -3.5760 -2.7486 -2.7486 -2.6778 -2.6778 -0.7208 -0.7208 -0.6411 -0.6411 -0.4508 -0.4508 3.0799 3.0799 5.2904 5.2904 5.5939 5.5939 5.7171 5.7171 7.2598 7.2598 7.4189 7.4189 11.3561 11.3561 14.7411 14.7411 15.5207 15.5207 15.7922 15.7922 k = 0.6525-0.4116-1.0109 ( 2287 PWs) bands (ev): -20.0179 -20.0179 -8.2897 -8.2897 -8.2745 -8.2745 -3.9946 -3.9946 -3.7821 -3.7821 -3.5756 -3.5756 -2.7526 -2.7526 -2.6750 -2.6750 -0.7227 -0.7227 -0.6433 -0.6433 -0.4477 -0.4477 3.0823 3.0823 5.2931 5.2931 5.5919 5.5919 5.7079 5.7079 7.2662 7.2662 7.4294 7.4294 11.3579 11.3579 14.7174 14.7174 15.5233 15.5233 15.8051 15.8051 k = 0.6470-0.3919-1.0109 ( 2287 PWs) bands (ev): -20.0183 -20.0183 -8.2911 -8.2911 -8.2743 -8.2743 -3.9965 -3.9965 -3.7779 -3.7779 -3.5748 -3.5748 -2.7583 -2.7583 -2.6711 -2.6711 -0.7257 -0.7257 -0.6460 -0.6460 -0.4436 -0.4436 3.0844 3.0844 5.2952 5.2952 5.5840 5.5840 5.7108 5.7108 7.2720 7.2720 7.4395 7.4395 11.3570 11.3570 14.6851 14.6851 15.5185 15.5185 15.8152 15.8152 k = 0.6416-0.3723-1.0109 ( 2281 PWs) bands (ev): -20.0187 -20.0187 -8.2929 -8.2929 -8.2740 -8.2740 -3.9990 -3.9990 -3.7722 -3.7722 -3.5734 -3.5734 -2.7655 -2.7655 -2.6665 -2.6665 -0.7301 -0.7301 -0.6488 -0.6488 -0.4386 -0.4386 3.0859 3.0859 5.2952 5.2952 5.5740 5.5740 5.7233 5.7233 7.2770 7.2770 7.4490 7.4490 11.3535 11.3535 14.6454 14.6454 15.5027 15.5027 15.8255 15.8255 k = 0.6361-0.3526-1.0109 ( 2283 PWs) bands (ev): -20.0193 -20.0193 -8.2952 -8.2952 -8.2735 -8.2735 -4.0021 -4.0021 -3.7653 -3.7653 -3.5716 -3.5716 -2.7737 -2.7737 -2.6616 -2.6616 -0.7361 -0.7361 -0.6515 -0.6515 -0.4329 -0.4329 3.0870 3.0870 5.2918 5.2918 5.5665 5.5665 5.7421 5.7421 7.2813 7.2813 7.4580 7.4580 11.3472 11.3472 14.5998 14.5998 15.4731 15.4731 15.8421 15.8421 k = 0.6307-0.3330-1.0109 ( 2291 PWs) bands (ev): -20.0199 -20.0199 -8.2979 -8.2979 -8.2730 -8.2730 -4.0057 -4.0057 -3.7572 -3.7572 -3.5691 -3.5691 -2.7828 -2.7828 -2.6564 -2.6564 -0.7438 -0.7438 -0.6537 -0.6537 -0.4266 -0.4266 3.0876 3.0876 5.2836 5.2836 5.5645 5.5645 5.7651 5.7651 7.2847 7.2847 7.4663 7.4663 11.3381 11.3381 14.5496 14.5496 15.4303 15.4303 15.8683 15.8683 k = 0.6252-0.3133-1.0109 ( 2287 PWs) bands (ev): -20.0206 -20.0206 -8.3009 -8.3009 -8.2725 -8.2725 -4.0097 -4.0097 -3.7481 -3.7481 -3.5661 -3.5661 -2.7926 -2.7926 -2.6512 -2.6512 -0.7529 -0.7529 -0.6554 -0.6554 -0.4198 -0.4198 3.0878 3.0878 5.2705 5.2705 5.5696 5.5696 5.7912 5.7912 7.2874 7.2874 7.4739 7.4739 11.3264 11.3264 14.4961 14.4961 15.3774 15.3774 15.9033 15.9033 k = 0.6198-0.2937-1.0109 ( 2289 PWs) bands (ev): -20.0214 -20.0214 -8.3042 -8.3042 -8.2719 -8.2719 -4.0139 -4.0139 -3.7382 -3.7382 -3.5625 -3.5625 -2.8030 -2.8030 -2.6460 -2.6460 -0.7635 -0.7635 -0.6565 -0.6565 -0.4128 -0.4128 3.0876 3.0876 5.2527 5.2527 5.5817 5.5817 5.8196 5.8196 7.2892 7.2892 7.4807 7.4807 11.3121 11.3121 14.4404 14.4404 15.3176 15.3176 15.9445 15.9445 k = 0.6143-0.2740-1.0109 ( 2289 PWs) bands (ev): -20.0222 -20.0222 -8.3077 -8.3077 -8.2713 -8.2713 -4.0185 -4.0185 -3.7278 -3.7278 -3.5583 -3.5583 -2.8139 -2.8139 -2.6409 -2.6409 -0.7751 -0.7751 -0.6570 -0.6570 -0.4056 -0.4056 3.0870 3.0870 5.2314 5.2314 5.5999 5.5999 5.8500 5.8500 7.2901 7.2901 7.4866 7.4866 11.2953 11.2953 14.3833 14.3833 15.2537 15.2537 15.9899 15.9899 k = 0.6089-0.2544-1.0109 ( 2289 PWs) bands (ev): -20.0231 -20.0231 -8.3113 -8.3113 -8.2706 -8.2706 -4.0231 -4.0231 -3.7169 -3.7169 -3.5534 -3.5534 -2.8251 -2.8251 -2.6360 -2.6360 -0.7877 -0.7877 -0.6571 -0.6571 -0.3983 -0.3983 3.0860 3.0860 5.2077 5.2077 5.6231 5.6231 5.8819 5.8819 7.2902 7.2902 7.4918 7.4918 11.2763 11.2763 14.3257 14.3257 15.1873 15.1873 16.0375 16.0375 k = 0.6035-0.2348-1.0109 ( 2287 PWs) bands (ev): -20.0240 -20.0240 -8.3151 -8.3151 -8.2700 -8.2700 -4.0278 -4.0278 -3.7057 -3.7057 -3.5479 -3.5479 -2.8366 -2.8366 -2.6313 -2.6313 -0.8008 -0.8008 -0.6569 -0.6569 -0.3910 -0.3910 3.0847 3.0847 5.1825 5.1825 5.6505 5.6505 5.9150 5.9150 7.2894 7.2894 7.4960 7.4960 11.2552 11.2552 14.2680 14.2680 15.1200 15.1200 16.0860 16.0860 k = 0.5980-0.2151-1.0109 ( 2283 PWs) bands (ev): -20.0249 -20.0249 -8.3189 -8.3189 -8.2695 -8.2695 -4.0326 -4.0326 -3.6944 -3.6944 -3.5418 -3.5418 -2.8484 -2.8484 -2.6269 -2.6269 -0.8145 -0.8145 -0.6564 -0.6564 -0.3837 -0.3837 3.0831 3.0831 5.1566 5.1566 5.6810 5.6810 5.9492 5.9492 7.2878 7.2878 7.4994 7.4994 11.2322 11.2322 14.2109 14.2109 15.0527 15.0527 16.1343 16.1343 k = 0.5926-0.1955-1.0109 ( 2281 PWs) bands (ev): -20.0258 -20.0258 -8.3228 -8.3228 -8.2689 -8.2689 -4.0372 -4.0372 -3.6832 -3.6832 -3.5350 -3.5350 -2.8602 -2.8602 -2.6227 -2.6227 -0.8283 -0.8283 -0.6556 -0.6556 -0.3766 -0.3766 3.0812 3.0812 5.1306 5.1306 5.7142 5.7142 5.9841 5.9841 7.2853 7.2853 7.5018 7.5018 11.2077 11.2077 14.1547 14.1547 14.9863 14.9863 16.1816 16.1816 k = 0.5871-0.1758-1.0109 ( 2279 PWs) bands (ev): -20.0267 -20.0267 -8.3267 -8.3267 -8.2684 -8.2684 -4.0418 -4.0418 -3.6722 -3.6722 -3.5278 -3.5278 -2.8721 -2.8721 -2.6188 -2.6188 -0.8422 -0.8422 -0.6547 -0.6547 -0.3697 -0.3697 3.0792 3.0792 5.1048 5.1048 5.7492 5.7492 6.0195 6.0195 7.2819 7.2819 7.5033 7.5033 11.1819 11.1819 14.0997 14.0997 14.9213 14.9213 16.2273 16.2273 k = 0.5817-0.1562-1.0109 ( 2285 PWs) bands (ev): -20.0276 -20.0276 -8.3306 -8.3306 -8.2679 -8.2679 -4.0463 -4.0463 -3.6615 -3.6615 -3.5200 -3.5200 -2.8840 -2.8840 -2.6151 -2.6151 -0.8560 -0.8560 -0.6537 -0.6537 -0.3631 -0.3631 3.0769 3.0769 5.0796 5.0796 5.7857 5.7857 6.0551 6.0551 7.2778 7.2778 7.5040 7.5040 11.1550 11.1550 14.0465 14.0465 14.8583 14.8583 16.2708 16.2708 k = 0.5762-0.1365-1.0109 ( 2285 PWs) bands (ev): -20.0286 -20.0286 -8.3344 -8.3344 -8.2674 -8.2674 -4.0506 -4.0506 -3.6512 -3.6512 -3.5118 -3.5118 -2.8958 -2.8958 -2.6118 -2.6118 -0.8696 -0.8696 -0.6526 -0.6526 -0.3567 -0.3567 3.0746 3.0746 5.0552 5.0552 5.8231 5.8231 6.0907 6.0907 7.2728 7.2728 7.5038 7.5038 11.1276 11.1276 13.9952 13.9952 14.7977 14.7977 16.3120 16.3120 k = 0.5708-0.1169-1.0109 ( 2285 PWs) bands (ev): -20.0294 -20.0294 -8.3381 -8.3381 -8.2670 -8.2670 -4.0547 -4.0547 -3.6413 -3.6413 -3.5033 -3.5033 -2.9073 -2.9073 -2.6087 -2.6087 -0.8828 -0.8828 -0.6515 -0.6515 -0.3506 -0.3506 3.0721 3.0721 5.0319 5.0319 5.8610 5.8610 6.1259 6.1259 7.2672 7.2672 7.5028 7.5028 11.0998 11.0998 13.9461 13.9461 14.7400 14.7400 16.3504 16.3504 k = 0.5653-0.0972-1.0109 ( 2285 PWs) bands (ev): -20.0303 -20.0303 -8.3416 -8.3416 -8.2666 -8.2666 -4.0586 -4.0586 -3.6319 -3.6319 -3.4946 -3.4946 -2.9185 -2.9185 -2.6060 -2.6060 -0.8955 -0.8955 -0.6503 -0.6503 -0.3448 -0.3448 3.0697 3.0697 5.0099 5.0099 5.8989 5.8989 6.1605 6.1605 7.2608 7.2608 7.5010 7.5010 11.0721 11.0721 13.8996 13.8996 14.6853 14.6853 16.3859 16.3859 k = 0.5599-0.0776-1.0109 ( 2281 PWs) bands (ev): -20.0311 -20.0311 -8.3450 -8.3450 -8.2662 -8.2662 -4.0622 -4.0622 -3.6232 -3.6232 -3.4858 -3.4858 -2.9294 -2.9294 -2.6035 -2.6035 -0.9076 -0.9076 -0.6491 -0.6491 -0.3395 -0.3395 3.0672 3.0672 4.9891 4.9891 5.9364 5.9364 6.1941 6.1941 7.2539 7.2539 7.4986 7.4986 11.0449 11.0449 13.8558 13.8558 14.6341 14.6341 16.4185 16.4185 k = 0.5545-0.0579-1.0109 ( 2283 PWs) bands (ev): -20.0319 -20.0319 -8.3482 -8.3482 -8.2659 -8.2659 -4.0656 -4.0656 -3.6150 -3.6150 -3.4772 -3.4772 -2.9397 -2.9397 -2.6012 -2.6012 -0.9190 -0.9190 -0.6480 -0.6480 -0.3345 -0.3345 3.0648 3.0648 4.9698 4.9698 5.9729 5.9729 6.2265 6.2265 7.2465 7.2465 7.4957 7.4957 11.0184 11.0184 13.8150 13.8150 14.5866 14.5866 16.4479 16.4479 k = 0.5490-0.0383-1.0109 ( 2283 PWs) bands (ev): -20.0326 -20.0326 -8.3512 -8.3512 -8.2656 -8.2656 -4.0687 -4.0687 -3.6074 -3.6074 -3.4688 -3.4688 -2.9495 -2.9495 -2.5993 -2.5993 -0.9296 -0.9296 -0.6469 -0.6469 -0.3299 -0.3299 3.0624 3.0624 4.9521 4.9521 6.0080 6.0080 6.2573 6.2573 7.2388 7.2388 7.4923 7.4923 10.9931 10.9931 13.7774 13.7774 14.5430 14.5430 16.4743 16.4743 k = 0.5436-0.0186-1.0109 ( 2281 PWs) bands (ev): -20.0332 -20.0332 -8.3539 -8.3539 -8.2653 -8.2653 -4.0715 -4.0715 -3.6005 -3.6005 -3.4608 -3.4608 -2.9586 -2.9586 -2.5976 -2.5976 -0.9393 -0.9393 -0.6459 -0.6459 -0.3258 -0.3258 3.0602 3.0602 4.9360 4.9360 6.0413 6.0413 6.2862 6.2862 7.2310 7.2310 7.4887 7.4887 10.9694 10.9694 13.7432 13.7432 14.5035 14.5035 16.4976 16.4976 k = 0.5381 0.0010-1.0109 ( 2283 PWs) bands (ev): -20.0338 -20.0338 -8.3563 -8.3563 -8.2651 -8.2651 -4.0740 -4.0740 -3.5944 -3.5944 -3.4534 -3.4534 -2.9669 -2.9669 -2.5961 -2.5961 -0.9481 -0.9481 -0.6450 -0.6450 -0.3221 -0.3221 3.0582 3.0582 4.9217 4.9217 6.0722 6.0722 6.3128 6.3128 7.2232 7.2232 7.4849 7.4849 10.9475 10.9475 13.7125 13.7125 14.4682 14.4682 16.5180 16.5180 k = 0.5327 0.0207-1.0109 ( 2278 PWs) bands (ev): -20.0344 -20.0344 -8.3585 -8.3585 -8.2649 -8.2649 -4.0762 -4.0762 -3.5889 -3.5889 -3.4466 -3.4466 -2.9744 -2.9744 -2.5949 -2.5949 -0.9558 -0.9558 -0.6442 -0.6442 -0.3189 -0.3189 3.0564 3.0564 4.9091 4.9091 6.1003 6.1003 6.3368 6.3368 7.2156 7.2156 7.4811 7.4811 10.9279 10.9279 13.6856 13.6856 14.4374 14.4374 16.5354 16.5354 k = 0.5272 0.0403-1.0109 ( 2276 PWs) bands (ev): -20.0348 -20.0348 -8.3604 -8.3604 -8.2647 -8.2647 -4.0781 -4.0781 -3.5842 -3.5842 -3.4407 -3.4407 -2.9809 -2.9809 -2.5939 -2.5939 -0.9625 -0.9625 -0.6434 -0.6434 -0.3162 -0.3162 3.0548 3.0548 4.8984 4.8984 6.1250 6.1250 6.3579 6.3579 7.2086 7.2086 7.4776 7.4776 10.9107 10.9107 13.6626 13.6626 14.4111 14.4111 16.5499 16.5499 k = 0.5218 0.0600-1.0109 ( 2276 PWs) bands (ev): -20.0352 -20.0352 -8.3619 -8.3619 -8.2646 -8.2646 -4.0796 -4.0796 -3.5802 -3.5802 -3.4357 -3.4357 -2.9863 -2.9863 -2.5930 -2.5930 -0.9680 -0.9680 -0.6428 -0.6428 -0.3139 -0.3139 3.0534 3.0534 4.8895 4.8895 6.1460 6.1460 6.3756 6.3756 7.2024 7.2024 7.4744 7.4744 10.8963 10.8963 13.6436 13.6436 14.3894 14.3894 16.5616 16.5616 k = 0.5163 0.0796-1.0109 ( 2270 PWs) bands (ev): -20.0355 -20.0355 -8.3631 -8.3631 -8.2644 -8.2644 -4.0808 -4.0808 -3.5771 -3.5771 -3.4317 -3.4317 -2.9906 -2.9906 -2.5924 -2.5924 -0.9723 -0.9723 -0.6423 -0.6423 -0.3122 -0.3122 3.0523 3.0523 4.8826 4.8826 6.1628 6.1628 6.3898 6.3898 7.1972 7.1972 7.4717 7.4717 10.8848 10.8848 13.6287 13.6287 14.3725 14.3725 16.5707 16.5707 k = 0.5109 0.0993-1.0109 ( 2264 PWs) bands (ev): -20.0357 -20.0357 -8.3640 -8.3640 -8.2644 -8.2644 -4.0817 -4.0817 -3.5749 -3.5749 -3.4288 -3.4288 -2.9938 -2.9938 -2.5920 -2.5920 -0.9754 -0.9754 -0.6420 -0.6420 -0.3109 -0.3109 3.0516 3.0516 4.8777 4.8777 6.1750 6.1750 6.4002 6.4002 7.1933 7.1933 7.4697 7.4697 10.8765 10.8765 13.6180 13.6180 14.3604 14.3604 16.5771 16.5771 k = 0.5054 0.1189-1.0109 ( 2264 PWs) bands (ev): -20.0358 -20.0358 -8.3645 -8.3645 -8.2643 -8.2643 -4.0822 -4.0822 -3.5735 -3.5735 -3.4270 -3.4270 -2.9957 -2.9957 -2.5917 -2.5917 -0.9773 -0.9773 -0.6418 -0.6418 -0.3101 -0.3101 3.0511 3.0511 4.8747 4.8747 6.1825 6.1825 6.4065 6.4065 7.1909 7.1909 7.4685 7.4685 10.8714 10.8714 13.6115 13.6115 14.3531 14.3531 16.5809 16.5809 k = 0.5000 0.1386-1.0109 ( 2262 PWs) bands (ev): -20.0358 -20.0358 -8.3647 -8.3647 -8.2643 -8.2643 -4.0824 -4.0824 -3.5731 -3.5731 -3.4264 -3.4264 -2.9963 -2.9963 -2.5916 -2.5916 -0.9779 -0.9779 -0.6417 -0.6417 -0.3099 -0.3099 3.0509 3.0509 4.8737 4.8737 6.1850 6.1850 6.4086 6.4086 7.1901 7.1901 7.4680 7.4680 10.8697 10.8697 13.6094 13.6094 14.3507 14.3507 16.5822 16.5822 k = 0.5000 0.1386-1.0109 ( 2262 PWs) bands (ev): -20.0358 -20.0358 -8.3647 -8.3647 -8.2643 -8.2643 -4.0824 -4.0824 -3.5731 -3.5731 -3.4264 -3.4264 -2.9963 -2.9963 -2.5916 -2.5916 -0.9779 -0.9779 -0.6417 -0.6417 -0.3099 -0.3099 3.0509 3.0509 4.8737 4.8737 6.1850 6.1850 6.4086 6.4086 7.1901 7.1901 7.4680 7.4680 10.8697 10.8697 13.6094 13.6094 14.3507 14.3507 16.5822 16.5822 k = 0.5158 0.1429-1.0025 ( 2267 PWs) bands (ev): -20.0358 -20.0358 -8.3653 -8.3653 -8.2637 -8.2637 -4.0826 -4.0826 -3.5732 -3.5732 -3.4266 -3.4266 -2.9961 -2.9961 -2.5914 -2.5914 -0.9778 -0.9778 -0.6416 -0.6416 -0.3098 -0.3098 3.0515 3.0515 4.8722 4.8722 6.1845 6.1845 6.4077 6.4077 7.1915 7.1915 7.4685 7.4685 10.8703 10.8703 13.6079 13.6079 14.3520 14.3520 16.5826 16.5826 k = 0.5316 0.1473-0.9941 ( 2261 PWs) bands (ev): -20.0359 -20.0359 -8.3669 -8.3669 -8.2621 -8.2621 -4.0831 -4.0831 -3.5735 -3.5735 -3.4271 -3.4271 -2.9955 -2.9955 -2.5907 -2.5907 -0.9776 -0.9776 -0.6412 -0.6412 -0.3096 -0.3096 3.0533 3.0533 4.8677 4.8677 6.1830 6.1830 6.4051 6.4051 7.1956 7.1956 7.4700 7.4700 10.8720 10.8720 13.6034 13.6034 14.3559 14.3559 16.5841 16.5841 k = 0.5474 0.1517-0.9857 ( 2265 PWs) bands (ev): -20.0359 -20.0359 -8.3695 -8.3695 -8.2595 -8.2595 -4.0841 -4.0841 -3.5740 -3.5740 -3.4281 -3.4281 -2.9944 -2.9944 -2.5895 -2.5895 -0.9773 -0.9773 -0.6405 -0.6405 -0.3092 -0.3092 3.0563 3.0563 4.8603 4.8603 6.1806 6.1806 6.4009 6.4009 7.2024 7.2024 7.4724 7.4724 10.8748 10.8748 13.5963 13.5963 14.3623 14.3623 16.5865 16.5865 k = 0.5632 0.1561-0.9773 ( 2267 PWs) bands (ev): -20.0360 -20.0360 -8.3729 -8.3729 -8.2560 -8.2560 -4.0854 -4.0854 -3.5748 -3.5748 -3.4294 -3.4294 -2.9930 -2.9930 -2.5880 -2.5880 -0.9767 -0.9767 -0.6396 -0.6396 -0.3086 -0.3086 3.0604 3.0604 4.8503 4.8503 6.1772 6.1772 6.3951 6.3951 7.2117 7.2117 7.4758 7.4758 10.8786 10.8786 13.5866 13.5866 14.3708 14.3708 16.5901 16.5901 k = 0.5790 0.1604-0.9689 ( 2265 PWs) bands (ev): -20.0361 -20.0361 -8.3769 -8.3769 -8.2519 -8.2519 -4.0871 -4.0871 -3.5757 -3.5757 -3.4309 -3.4309 -2.9912 -2.9912 -2.5860 -2.5860 -0.9761 -0.9761 -0.6384 -0.6384 -0.3079 -0.3079 3.0656 3.0656 4.8377 4.8377 6.1729 6.1729 6.3879 6.3879 7.2233 7.2233 7.4800 7.4800 10.8834 10.8834 13.5748 13.5748 14.3812 14.3812 16.5950 16.5950 k = 0.5947 0.1648-0.9605 ( 2275 PWs) bands (ev): -20.0362 -20.0362 -8.3814 -8.3814 -8.2474 -8.2474 -4.0890 -4.0890 -3.5768 -3.5768 -3.4328 -3.4328 -2.9890 -2.9890 -2.5836 -2.5836 -0.9753 -0.9753 -0.6371 -0.6371 -0.3071 -0.3071 3.0718 3.0718 4.8229 4.8229 6.1677 6.1677 6.3793 6.3793 7.2369 7.2369 7.4850 7.4850 10.8890 10.8890 13.5611 13.5611 14.3931 14.3931 16.6013 16.6013 k = 0.6105 0.1692-0.9521 ( 2278 PWs) bands (ev): -20.0363 -20.0363 -8.3863 -8.3863 -8.2425 -8.2425 -4.0912 -4.0912 -3.5781 -3.5781 -3.4350 -3.4350 -2.9866 -2.9866 -2.5810 -2.5810 -0.9744 -0.9744 -0.6355 -0.6355 -0.3062 -0.3062 3.0790 3.0790 4.8063 4.8063 6.1618 6.1618 6.3696 6.3696 7.2521 7.2521 7.4909 7.4909 10.8953 10.8953 13.5461 13.5461 14.4061 14.4061 16.6093 16.6093 k = 0.6263 0.1736-0.9436 ( 2281 PWs) bands (ev): -20.0365 -20.0365 -8.3913 -8.3913 -8.2374 -8.2374 -4.0936 -4.0936 -3.5796 -3.5796 -3.4373 -3.4373 -2.9838 -2.9838 -2.5781 -2.5781 -0.9734 -0.9734 -0.6338 -0.6338 -0.3053 -0.3053 3.0871 3.0871 4.7880 4.7880 6.1551 6.1551 6.3588 6.3588 7.2687 7.2687 7.4974 7.4974 10.9023 10.9023 13.5300 13.5300 14.4199 14.4199 16.6192 16.6192 k = 0.6421 0.1780-0.9352 ( 2284 PWs) bands (ev): -20.0367 -20.0367 -8.3965 -8.3965 -8.2322 -8.2322 -4.0961 -4.0961 -3.5813 -3.5813 -3.4398 -3.4398 -2.9808 -2.9808 -2.5749 -2.5749 -0.9723 -0.9723 -0.6320 -0.6320 -0.3043 -0.3043 3.0959 3.0959 4.7686 4.7686 6.1478 6.1478 6.3473 6.3473 7.2864 7.2864 7.5045 7.5045 10.9098 10.9098 13.5132 13.5132 14.4341 14.4341 16.6310 16.6310 k = 0.6579 0.1823-0.9268 ( 2284 PWs) bands (ev): -20.0369 -20.0369 -8.4017 -8.4017 -8.2270 -8.2270 -4.0988 -4.0988 -3.5831 -3.5831 -3.4424 -3.4424 -2.9777 -2.9777 -2.5716 -2.5716 -0.9711 -0.9711 -0.6300 -0.6300 -0.3033 -0.3033 3.1054 3.1054 4.7485 4.7485 6.1398 6.1398 6.3350 6.3350 7.3048 7.3048 7.5122 7.5122 10.9176 10.9176 13.4960 13.4960 14.4486 14.4486 16.6448 16.6448 k = 0.6579 0.1823-0.9268 ( 2284 PWs) bands (ev): -20.0369 -20.0369 -8.4017 -8.4017 -8.2270 -8.2270 -4.0988 -4.0988 -3.5831 -3.5831 -3.4424 -3.4424 -2.9777 -2.9777 -2.5716 -2.5716 -0.9711 -0.9711 -0.6300 -0.6300 -0.3033 -0.3033 3.1054 3.1054 4.7485 4.7485 6.1398 6.1398 6.3350 6.3350 7.3048 7.3048 7.5122 7.5122 10.9176 10.9176 13.4960 13.4960 14.4486 14.4486 16.6448 16.6448 k = 0.6548 0.1815-0.9070 ( 2286 PWs) bands (ev): -20.0377 -20.0377 -8.3990 -8.3990 -8.2328 -8.2328 -4.0969 -4.0969 -3.5810 -3.5810 -3.4399 -3.4399 -2.9790 -2.9790 -2.5721 -2.5721 -0.9716 -0.9716 -0.6301 -0.6301 -0.3064 -0.3064 3.1052 3.1052 4.7449 4.7449 6.1492 6.1492 6.3472 6.3472 7.3088 7.3088 7.5086 7.5086 10.9085 10.9085 13.5173 13.5173 14.4548 14.4548 16.6181 16.6181 k = 0.6517 0.1806-0.8872 ( 2286 PWs) bands (ev): -20.0388 -20.0388 -8.3964 -8.3964 -8.2393 -8.2393 -4.0938 -4.0938 -3.5786 -3.5786 -3.4372 -3.4372 -2.9801 -2.9801 -2.5732 -2.5732 -0.9721 -0.9721 -0.6306 -0.6306 -0.3107 -0.3107 3.1039 3.1039 4.7460 4.7460 6.1600 6.1600 6.3606 6.3606 7.3121 7.3121 7.5050 7.5050 10.8980 10.8980 13.5421 13.5421 14.4636 14.4636 16.5850 16.5850 k = 0.6486 0.1798-0.8674 ( 2282 PWs) bands (ev): -20.0401 -20.0401 -8.3939 -8.3939 -8.2465 -8.2465 -4.0897 -4.0897 -3.5760 -3.5760 -3.4343 -3.4343 -2.9812 -2.9812 -2.5748 -2.5748 -0.9725 -0.9725 -0.6313 -0.6313 -0.3164 -0.3164 3.1013 3.1013 4.7520 4.7520 6.1722 6.1722 6.3752 6.3752 7.3145 7.3145 7.5015 7.5015 10.8861 10.8861 13.5704 13.5704 14.4749 14.4749 16.5461 16.5461 k = 0.6455 0.1789-0.8475 ( 2280 PWs) bands (ev): -20.0416 -20.0416 -8.3916 -8.3916 -8.2543 -8.2543 -4.0845 -4.0845 -3.5732 -3.5732 -3.4312 -3.4312 -2.9822 -2.9822 -2.5770 -2.5770 -0.9729 -0.9729 -0.6324 -0.6324 -0.3232 -0.3232 3.0977 3.0977 4.7629 4.7629 6.1857 6.1857 6.3908 6.3908 7.3159 7.3159 7.4980 7.4980 10.8727 10.8727 13.6021 13.6021 14.4888 14.4888 16.5021 16.5021 k = 0.6424 0.1780-0.8277 ( 2277 PWs) bands (ev): -20.0434 -20.0434 -8.3896 -8.3896 -8.2626 -8.2626 -4.0781 -4.0781 -3.5701 -3.5701 -3.4278 -3.4278 -2.9830 -2.9830 -2.5798 -2.5798 -0.9731 -0.9731 -0.6338 -0.6338 -0.3312 -0.3312 3.0930 3.0930 4.7788 4.7788 6.2004 6.2004 6.4074 6.4074 7.3164 7.3164 7.4946 7.4946 10.8577 10.8577 13.6370 13.6370 14.5052 14.5052 16.4534 16.4534 k = 0.6393 0.1772-0.8079 ( 2278 PWs) bands (ev): -20.0455 -20.0455 -8.3881 -8.3881 -8.2710 -8.2710 -4.0706 -4.0706 -3.5667 -3.5667 -3.4243 -3.4243 -2.9837 -2.9837 -2.5832 -2.5832 -0.9733 -0.9733 -0.6356 -0.6356 -0.3404 -0.3404 3.0874 3.0874 4.7997 4.7997 6.2163 6.2163 6.4249 6.4249 7.3157 7.3157 7.4913 7.4913 10.8410 10.8410 13.6749 13.6749 14.5241 14.5241 16.4009 16.4009 k = 0.6362 0.1763-0.7881 ( 2278 PWs) bands (ev): -20.0477 -20.0477 -8.3874 -8.3874 -8.2794 -8.2794 -4.0620 -4.0620 -3.5631 -3.5631 -3.4205 -3.4205 -2.9843 -2.9843 -2.5873 -2.5873 -0.9734 -0.9734 -0.6378 -0.6378 -0.3506 -0.3506 3.0810 3.0810 4.8255 4.8255 6.2334 6.2334 6.4433 6.4433 7.3138 7.3138 7.4881 7.4881 10.8226 10.8226 13.7156 13.7156 14.5456 14.5456 16.3453 16.3453 k = 0.6331 0.1755-0.7682 ( 2280 PWs) bands (ev): -20.0501 -20.0501 -8.3878 -8.3878 -8.2873 -8.2873 -4.0523 -4.0523 -3.5593 -3.5593 -3.4167 -3.4167 -2.9847 -2.9847 -2.5921 -2.5921 -0.9733 -0.9733 -0.6404 -0.6404 -0.3619 -0.3619 3.0741 3.0741 4.8561 4.8561 6.2516 6.2516 6.4623 6.4623 7.3108 7.3108 7.4850 7.4850 10.8025 10.8025 13.7585 13.7585 14.5697 14.5697 16.2871 16.2871 k = 0.6300 0.1746-0.7484 ( 2279 PWs) bands (ev): -20.0528 -20.0528 -8.3899 -8.3899 -8.2942 -8.2942 -4.0415 -4.0415 -3.5553 -3.5553 -3.4127 -3.4127 -2.9850 -2.9850 -2.5975 -2.5975 -0.9732 -0.9732 -0.6434 -0.6434 -0.3742 -0.3742 3.0669 3.0669 4.8914 4.8914 6.2708 6.2708 6.4819 6.4819 7.3065 7.3065 7.4821 7.4821 10.7806 10.7806 13.8032 13.8032 14.5963 14.5963 16.2273 16.2273 k = 0.6269 0.1737-0.7286 ( 2273 PWs) bands (ev): -20.0556 -20.0556 -8.3942 -8.3942 -8.2995 -8.2995 -4.0295 -4.0295 -3.5511 -3.5511 -3.4085 -3.4085 -2.9852 -2.9852 -2.6036 -2.6036 -0.9730 -0.9730 -0.6468 -0.6468 -0.3874 -0.3874 3.0595 3.0595 4.9311 4.9311 6.2909 6.2909 6.5020 6.5020 7.3009 7.3009 7.4794 7.4794 10.7568 10.7568 13.8490 13.8490 14.6255 14.6255 16.1666 16.1666 k = 0.6239 0.1729-0.7088 ( 2277 PWs) bands (ev): -20.0586 -20.0586 -8.4010 -8.4010 -8.3028 -8.3028 -4.0166 -4.0166 -3.5466 -3.5466 -3.4043 -3.4043 -2.9853 -2.9853 -2.6104 -2.6104 -0.9726 -0.9726 -0.6506 -0.6506 -0.4014 -0.4014 3.0521 3.0521 4.9751 4.9751 6.3117 6.3117 6.5225 6.5225 7.2941 7.2941 7.4769 7.4769 10.7313 10.7313 13.8950 13.8950 14.6572 14.6572 16.1059 16.1059 k = 0.6208 0.1720-0.6890 ( 2279 PWs) bands (ev): -20.0618 -20.0618 -8.4104 -8.4104 -8.3040 -8.3040 -4.0027 -4.0027 -3.5420 -3.5420 -3.4000 -3.4000 -2.9853 -2.9853 -2.6178 -2.6178 -0.9721 -0.9721 -0.6548 -0.6548 -0.4161 -0.4161 3.0451 3.0451 5.0231 5.0231 6.3333 6.3333 6.5432 6.5432 7.2861 7.2861 7.4747 7.4747 10.7040 10.7040 13.9404 13.9404 14.6914 14.6914 16.0461 16.0461 k = 0.6177 0.1712-0.6691 ( 2284 PWs) bands (ev): -20.0652 -20.0652 -8.4221 -8.4221 -8.3034 -8.3034 -3.9878 -3.9878 -3.5372 -3.5372 -3.3956 -3.3956 -2.9851 -2.9851 -2.6258 -2.6258 -0.9716 -0.9716 -0.6595 -0.6595 -0.4314 -0.4314 3.0385 3.0385 5.0750 5.0750 6.3555 6.3555 6.5640 6.5640 7.2768 7.2768 7.4728 7.4728 10.6751 10.6751 13.9839 13.9839 14.7280 14.7280 15.9883 15.9883 k = 0.6146 0.1703-0.6493 ( 2281 PWs) bands (ev): -20.0687 -20.0687 -8.4358 -8.4358 -8.3012 -8.3012 -3.9720 -3.9720 -3.5322 -3.5322 -3.3912 -3.3912 -2.9849 -2.9849 -2.6345 -2.6345 -0.9709 -0.9709 -0.6646 -0.6646 -0.4472 -0.4472 3.0325 3.0325 5.1305 5.1305 6.3782 6.3782 6.5848 6.5848 7.2664 7.2664 7.4713 7.4713 10.6445 10.6445 14.0241 14.0241 14.7667 14.7667 15.9337 15.9337 k = 0.6115 0.1695-0.6295 ( 2283 PWs) bands (ev): -20.0723 -20.0723 -8.4510 -8.4510 -8.2978 -8.2978 -3.9555 -3.9555 -3.5270 -3.5270 -3.3867 -3.3867 -2.9845 -2.9845 -2.6437 -2.6437 -0.9701 -0.9701 -0.6702 -0.6702 -0.4634 -0.4634 3.0274 3.0274 5.1894 5.1894 6.4013 6.4013 6.6054 6.6054 7.2549 7.2549 7.4702 7.4702 10.6124 10.6124 14.0596 14.0596 14.8072 14.8072 15.8837 15.8837 k = 0.6084 0.1686-0.6097 ( 2282 PWs) bands (ev): -20.0761 -20.0761 -8.4675 -8.4675 -8.2935 -8.2935 -3.9381 -3.9381 -3.5216 -3.5216 -3.3822 -3.3822 -2.9841 -2.9841 -2.6535 -2.6535 -0.9692 -0.9692 -0.6762 -0.6762 -0.4798 -0.4798 3.0233 3.0233 5.2514 5.2514 6.4246 6.4246 6.6257 6.6257 7.2424 7.2424 7.4696 7.4696 10.5789 10.5789 14.0888 14.0888 14.8490 14.8490 15.8398 15.8398 k = 0.6053 0.1677-0.5898 ( 2286 PWs) bands (ev): -20.0799 -20.0799 -8.4849 -8.4849 -8.2885 -8.2885 -3.9202 -3.9202 -3.5161 -3.5161 -3.3776 -3.3776 -2.9837 -2.9837 -2.6638 -2.6638 -0.9683 -0.9683 -0.6827 -0.6827 -0.4964 -0.4964 3.0203 3.0203 5.3162 5.3162 6.4481 6.4481 6.6455 6.6455 7.2290 7.2290 7.4694 7.4694 10.5442 10.5442 14.1101 14.1101 14.8913 14.8913 15.8034 15.8034 k = 0.6022 0.1669-0.5700 ( 2284 PWs) bands (ev): -20.0839 -20.0839 -8.5030 -8.5030 -8.2829 -8.2829 -3.9016 -3.9016 -3.5104 -3.5104 -3.3730 -3.3730 -2.9832 -2.9832 -2.6746 -2.6746 -0.9673 -0.9673 -0.6896 -0.6896 -0.5129 -0.5129 3.0185 3.0185 5.3837 5.3837 6.4716 6.4716 6.6647 6.6647 7.2148 7.2148 7.4699 7.4699 10.5084 10.5084 14.1220 14.1220 14.9330 14.9330 15.7760 15.7760 k = 0.5991 0.1660-0.5502 ( 2288 PWs) bands (ev): -20.0879 -20.0879 -8.5218 -8.5218 -8.2769 -8.2769 -3.8827 -3.8827 -3.5045 -3.5045 -3.3685 -3.3685 -2.9827 -2.9827 -2.6858 -2.6858 -0.9664 -0.9664 -0.6971 -0.6971 -0.5292 -0.5292 3.0179 3.0179 5.4535 5.4535 6.4949 6.4949 6.6830 6.6830 7.2001 7.2001 7.4709 7.4709 10.4716 10.4716 14.1235 14.1235 14.9730 14.9730 15.7587 15.7587 k = 0.5960 0.1652-0.5304 ( 2288 PWs) bands (ev): -20.0920 -20.0920 -8.5410 -8.5410 -8.2705 -8.2705 -3.8633 -3.8633 -3.4985 -3.4985 -3.3639 -3.3639 -2.9822 -2.9822 -2.6973 -2.6973 -0.9655 -0.9655 -0.7049 -0.7049 -0.5453 -0.5453 3.0187 3.0187 5.5254 5.5254 6.5180 6.5180 6.7003 6.7003 7.1850 7.1850 7.4726 7.4726 10.4341 10.4341 14.1138 14.1138 15.0096 15.0096 15.7522 15.7522 k = 0.5929 0.1643-0.5106 ( 2284 PWs) bands (ev): -20.0962 -20.0962 -8.5606 -8.5606 -8.2638 -8.2638 -3.8438 -3.8438 -3.4922 -3.4922 -3.3593 -3.3593 -2.9817 -2.9817 -2.7091 -2.7091 -0.9648 -0.9648 -0.7132 -0.7132 -0.5608 -0.5608 3.0209 3.0209 5.5991 5.5991 6.5406 6.5406 6.7165 6.7165 7.1697 7.1697 7.4750 7.4750 10.3960 10.3960 14.0927 14.0927 15.0417 15.0417 15.7566 15.7566 k = 0.5898 0.1634-0.4907 ( 2282 PWs) bands (ev): -20.1004 -20.1004 -8.5804 -8.5804 -8.2569 -8.2569 -3.8242 -3.8242 -3.4858 -3.4858 -3.3546 -3.3546 -2.9813 -2.9813 -2.7210 -2.7210 -0.9642 -0.9642 -0.7219 -0.7219 -0.5758 -0.5758 3.0246 3.0246 5.6742 5.6742 6.5627 6.5627 6.7312 6.7312 7.1547 7.1547 7.4781 7.4781 10.3575 10.3575 14.0605 14.0605 15.0678 15.0678 15.7712 15.7712 k = 0.5867 0.1626-0.4709 ( 2286 PWs) bands (ev): -20.1046 -20.1046 -8.6004 -8.6004 -8.2498 -8.2498 -3.8046 -3.8046 -3.4792 -3.4792 -3.3500 -3.3500 -2.9810 -2.9810 -2.7331 -2.7331 -0.9638 -0.9638 -0.7309 -0.7309 -0.5902 -0.5902 3.0296 3.0296 5.7505 5.7505 6.5842 6.5842 6.7442 6.7442 7.1401 7.1401 7.4821 7.4821 10.3187 10.3187 14.0180 14.0180 15.0869 15.0869 15.7947 15.7947 k = 0.5836 0.1617-0.4511 ( 2278 PWs) bands (ev): -20.1089 -20.1089 -8.6204 -8.6204 -8.2425 -8.2425 -3.7852 -3.7852 -3.4722 -3.4722 -3.3453 -3.3453 -2.9809 -2.9809 -2.7452 -2.7452 -0.9638 -0.9638 -0.7400 -0.7400 -0.6037 -0.6037 3.0361 3.0361 5.8277 5.8277 6.6048 6.6048 6.7553 6.7553 7.1264 7.1264 7.4868 7.4868 10.2800 10.2800 13.9663 13.9663 15.0984 15.0984 15.8257 15.8257 k = 0.5805 0.1609-0.4313 ( 2278 PWs) bands (ev): -20.1131 -20.1131 -8.6404 -8.6404 -8.2351 -8.2351 -3.7662 -3.7662 -3.4651 -3.4651 -3.3406 -3.3406 -2.9809 -2.9809 -2.7573 -2.7573 -0.9642 -0.9642 -0.7493 -0.7493 -0.6165 -0.6165 3.0439 3.0439 5.9052 5.9052 6.6243 6.6243 6.7644 6.7644 7.1141 7.1141 7.4924 7.4924 10.2414 10.2414 13.9066 13.9066 15.1017 15.1017 15.8628 15.8628 k = 0.5774 0.1600-0.4115 ( 2270 PWs) bands (ev): -20.1173 -20.1173 -8.6602 -8.6602 -8.2276 -8.2276 -3.7477 -3.7477 -3.4577 -3.4577 -3.3359 -3.3359 -2.9811 -2.9811 -2.7691 -2.7691 -0.9652 -0.9652 -0.7585 -0.7585 -0.6283 -0.6283 3.0531 3.0531 5.9827 5.9827 6.6427 6.6427 6.7712 6.7712 7.1036 7.1036 7.4989 7.4989 10.2032 10.2032 13.8402 13.8402 15.0970 15.0970 15.9051 15.9051 k = 0.5743 0.1592-0.3916 ( 2274 PWs) bands (ev): -20.1215 -20.1215 -8.6799 -8.6799 -8.2201 -8.2201 -3.7299 -3.7299 -3.4499 -3.4499 -3.3311 -3.3311 -2.9816 -2.9816 -2.7807 -2.7807 -0.9667 -0.9667 -0.7675 -0.7675 -0.6394 -0.6394 3.0635 3.0635 6.0596 6.0596 6.6597 6.6597 6.7757 6.7757 7.0956 7.0956 7.5062 7.5062 10.1655 10.1655 13.7682 13.7682 15.0844 15.0844 15.9518 15.9518 k = 0.5712 0.1583-0.3718 ( 2278 PWs) bands (ev): -20.1256 -20.1256 -8.6994 -8.6994 -8.2125 -8.2125 -3.7129 -3.7129 -3.4419 -3.4419 -3.3263 -3.3263 -2.9824 -2.9824 -2.7918 -2.7918 -0.9690 -0.9690 -0.7760 -0.7760 -0.6495 -0.6495 3.0752 3.0752 6.1353 6.1353 6.6748 6.6748 6.7783 6.7783 7.0903 7.0903 7.5143 7.5143 10.1285 10.1285 13.6919 13.6919 15.0646 15.0646 16.0025 16.0025 k = 0.5681 0.1574-0.3520 ( 2277 PWs) bands (ev): -20.1297 -20.1297 -8.7185 -8.7185 -8.2050 -8.2050 -3.6969 -3.6969 -3.4336 -3.4336 -3.3214 -3.3214 -2.9835 -2.9835 -2.8025 -2.8025 -0.9720 -0.9720 -0.7840 -0.7840 -0.6588 -0.6588 3.0880 3.0880 6.2091 6.2091 6.6876 6.6876 6.7795 6.7795 7.0884 7.0884 7.5233 7.5233 10.0924 10.0924 13.6121 13.6121 15.0386 15.0386 16.0569 16.0569 k = 0.5650 0.1566-0.3322 ( 2275 PWs) bands (ev): -20.1337 -20.1337 -8.7372 -8.7372 -8.1975 -8.1975 -3.6819 -3.6819 -3.4250 -3.4250 -3.3164 -3.3164 -2.9850 -2.9850 -2.8125 -2.8125 -0.9758 -0.9758 -0.7914 -0.7914 -0.6674 -0.6674 3.1017 3.1017 6.2800 6.2800 6.6971 6.6971 6.7806 6.7806 7.0901 7.0901 7.5329 7.5329 10.0574 10.0574 13.5299 13.5299 15.0075 15.0075 16.1148 16.1148 k = 0.5619 0.1557-0.3123 ( 2276 PWs) bands (ev): -20.1376 -20.1376 -8.7555 -8.7555 -8.1901 -8.1901 -3.6680 -3.6680 -3.4161 -3.4161 -3.3113 -3.3113 -2.9869 -2.9869 -2.8218 -2.8218 -0.9805 -0.9805 -0.7979 -0.7979 -0.6751 -0.6751 3.1164 3.1164 6.3467 6.3467 6.7028 6.7028 6.7830 6.7830 7.0959 7.0959 7.5433 7.5433 10.0236 10.0236 13.4460 13.4460 14.9724 14.9724 16.1758 16.1758 k = 0.5588 0.1549-0.2925 ( 2269 PWs) bands (ev): -20.1414 -20.1414 -8.7733 -8.7733 -8.1829 -8.1829 -3.6554 -3.6554 -3.4071 -3.4071 -3.3060 -3.3060 -2.9893 -2.9893 -2.8303 -2.8303 -0.9859 -0.9859 -0.8036 -0.8036 -0.6821 -0.6821 3.1318 3.1318 6.4076 6.4076 6.7044 6.7044 6.7879 6.7879 7.1061 7.1061 7.5542 7.5542 9.9912 9.9912 13.3610 13.3610 14.9345 14.9345 16.2395 16.2395 k = 0.5557 0.1540-0.2727 ( 2267 PWs) bands (ev): -20.1451 -20.1451 -8.7905 -8.7905 -8.1757 -8.1757 -3.6440 -3.6440 -3.3981 -3.3981 -3.3006 -3.3006 -2.9920 -2.9920 -2.8380 -2.8380 -0.9919 -0.9919 -0.8085 -0.8085 -0.6884 -0.6884 3.1479 3.1479 6.4607 6.4607 6.7034 6.7034 6.7953 6.7953 7.1212 7.1212 7.5656 7.5656 9.9601 9.9601 13.2758 13.2758 14.8947 14.8947 16.3056 16.3056 k = 0.5526 0.1532-0.2529 ( 2265 PWs) bands (ev): -20.1486 -20.1486 -8.8070 -8.8070 -8.1688 -8.1688 -3.6338 -3.6338 -3.3891 -3.3891 -3.2950 -3.2950 -2.9951 -2.9951 -2.8448 -2.8448 -0.9985 -0.9985 -0.8127 -0.8127 -0.6940 -0.6940 3.1645 3.1645 6.5032 6.5032 6.7026 6.7026 6.8045 6.8045 7.1418 7.1418 7.5774 7.5774 9.9306 9.9306 13.1908 13.1908 14.8540 14.8540 16.3736 16.3736 k = 0.5495 0.1523-0.2331 ( 2271 PWs) bands (ev): -20.1521 -20.1521 -8.8229 -8.8229 -8.1621 -8.1621 -3.6248 -3.6248 -3.3804 -3.3804 -3.2893 -3.2893 -2.9985 -2.9985 -2.8507 -2.8507 -1.0055 -1.0055 -0.8163 -0.8163 -0.6990 -0.6990 3.1814 3.1814 6.5326 6.5326 6.7049 6.7049 6.8147 6.8147 7.1683 7.1683 7.5894 7.5894 9.9028 9.9028 13.1067 13.1067 14.8129 14.8129 16.4429 16.4429 k = 0.5464 0.1514-0.2132 ( 2267 PWs) bands (ev): -20.1553 -20.1553 -8.8381 -8.8381 -8.1556 -8.1556 -3.6170 -3.6170 -3.3720 -3.3720 -3.2835 -3.2835 -3.0022 -3.0022 -2.8557 -2.8557 -1.0127 -1.0127 -0.8193 -0.8193 -0.7033 -0.7033 3.1985 3.1985 6.5477 6.5477 6.7120 6.7120 6.8251 6.8251 7.2008 7.2008 7.6016 7.6016 9.8767 9.8767 13.0239 13.0239 14.7723 14.7723 16.5132 16.5132 k = 0.5433 0.1506-0.1934 ( 2264 PWs) bands (ev): -20.1585 -20.1585 -8.8525 -8.8525 -8.1493 -8.1493 -3.6101 -3.6101 -3.3641 -3.3641 -3.2775 -3.2775 -3.0059 -3.0059 -2.8600 -2.8600 -1.0200 -1.0200 -0.8219 -0.8219 -0.7071 -0.7071 3.2157 3.2157 6.5506 6.5506 6.7227 6.7227 6.8350 6.8350 7.2389 7.2389 7.6138 7.6138 9.8523 9.8523 12.9430 12.9430 14.7327 14.7327 16.5838 16.5838 k = 0.5403 0.1497-0.1736 ( 2264 PWs) bands (ev): -20.1614 -20.1614 -8.8661 -8.8661 -8.1434 -8.1434 -3.6043 -3.6043 -3.3568 -3.3568 -3.2715 -3.2715 -3.0097 -3.0097 -2.8635 -2.8635 -1.0273 -1.0273 -0.8242 -0.8242 -0.7102 -0.7102 3.2326 3.2326 6.5454 6.5454 6.7345 6.7345 6.8440 6.8440 7.2815 7.2815 7.6259 7.6259 9.8297 9.8297 12.8645 12.8645 14.6944 14.6944 16.6542 16.6542 k = 0.5372 0.1489-0.1538 ( 2268 PWs) bands (ev): -20.1642 -20.1642 -8.8789 -8.8789 -8.1378 -8.1378 -3.5993 -3.5993 -3.3502 -3.3502 -3.2655 -3.2655 -3.0133 -3.0133 -2.8664 -2.8664 -1.0343 -1.0343 -0.8261 -0.8261 -0.7129 -0.7129 3.2493 3.2493 6.5356 6.5356 6.7454 6.7454 6.8516 6.8516 7.3274 7.3274 7.6378 7.6378 9.8090 9.8090 12.7890 12.7890 14.6579 14.6579 16.7238 16.7238 k = 0.5341 0.1480-0.1339 ( 2260 PWs) bands (ev): -20.1668 -20.1668 -8.8907 -8.8907 -8.1325 -8.1325 -3.5951 -3.5951 -3.3442 -3.3442 -3.2596 -3.2596 -3.0167 -3.0167 -2.8688 -2.8688 -1.0411 -1.0411 -0.8279 -0.8279 -0.7151 -0.7151 3.2654 3.2654 6.5234 6.5234 6.7547 6.7547 6.8577 6.8577 7.3751 7.3751 7.6494 7.6494 9.7901 9.7901 12.7168 12.7168 14.6235 14.6235 16.7919 16.7919 k = 0.5310 0.1471-0.1141 ( 2260 PWs) bands (ev): -20.1692 -20.1692 -8.9017 -8.9017 -8.1276 -8.1276 -3.5916 -3.5916 -3.3389 -3.3389 -3.2541 -3.2541 -3.0198 -3.0198 -2.8706 -2.8706 -1.0476 -1.0476 -0.8295 -0.8295 -0.7168 -0.7168 3.2809 3.2809 6.5103 6.5103 6.7623 6.7623 6.8625 6.8625 7.4230 7.4230 7.6605 7.6605 9.7729 9.7729 12.6486 12.6486 14.5913 14.5913 16.8578 16.8578 k = 0.5279 0.1463-0.0943 ( 2260 PWs) bands (ev): -20.1713 -20.1713 -8.9117 -8.9117 -8.1231 -8.1231 -3.5887 -3.5887 -3.3342 -3.3342 -3.2489 -3.2489 -3.0225 -3.0225 -2.8721 -2.8721 -1.0535 -1.0535 -0.8309 -0.8309 -0.7182 -0.7182 3.2955 3.2955 6.4969 6.4969 6.7684 6.7684 6.8660 6.8660 7.4698 7.4698 7.6712 7.6712 9.7576 9.7576 12.5849 12.5849 14.5618 14.5618 16.9207 16.9207 k = 0.5248 0.1454-0.0745 ( 2265 PWs) bands (ev): -20.1733 -20.1733 -8.9207 -8.9207 -8.1190 -8.1190 -3.5863 -3.5863 -3.3302 -3.3302 -3.2442 -3.2442 -3.0249 -3.0249 -2.8732 -2.8732 -1.0590 -1.0590 -0.8322 -0.8322 -0.7193 -0.7193 3.3091 3.3091 6.4840 6.4840 6.7732 6.7732 6.8684 6.8684 7.5142 7.5142 7.6813 7.6813 9.7441 9.7441 12.5261 12.5261 14.5349 14.5349 16.9796 16.9796 k = 0.5217 0.1446-0.0547 ( 2259 PWs) bands (ev): -20.1751 -20.1751 -8.9287 -8.9287 -8.1154 -8.1154 -3.5844 -3.5844 -3.3267 -3.3267 -3.2399 -3.2399 -3.0268 -3.0268 -2.8740 -2.8740 -1.0639 -1.0639 -0.8334 -0.8334 -0.7201 -0.7201 3.3215 3.3215 6.4719 6.4719 6.7769 6.7769 6.8701 6.8701 7.5552 7.5552 7.6910 7.6910 9.7323 9.7323 12.4728 12.4728 14.5109 14.5109 17.0336 17.0336 k = 0.5186 0.1437-0.0348 ( 2261 PWs) bands (ev): -20.1766 -20.1766 -8.9357 -8.9357 -8.1122 -8.1122 -3.5828 -3.5828 -3.3238 -3.3238 -3.2363 -3.2363 -3.0283 -3.0283 -2.8747 -2.8747 -1.0682 -1.0682 -0.8344 -0.8344 -0.7207 -0.7207 3.3326 3.3326 6.4610 6.4610 6.7798 6.7798 6.8712 6.8712 7.5918 7.5918 7.7002 7.7002 9.7221 9.7221 12.4254 12.4254 14.4899 14.4899 17.0815 17.0815 k = 0.5155 0.1429-0.0150 ( 2265 PWs) bands (ev): -20.1779 -20.1779 -8.9417 -8.9417 -8.1094 -8.1094 -3.5816 -3.5816 -3.3214 -3.3214 -3.2333 -3.2333 -3.0295 -3.0295 -2.8752 -2.8752 -1.0719 -1.0719 -0.8354 -0.8354 -0.7211 -0.7211 3.3423 3.3423 6.4513 6.4513 6.7820 6.7820 6.8718 6.8718 7.6228 7.6228 7.7093 7.7093 9.7136 9.7136 12.3844 12.3844 14.4719 14.4719 17.1219 17.1219 k = 0.5124 0.1420 0.0048 ( 2271 PWs) bands (ev): -20.1790 -20.1790 -8.9466 -8.9466 -8.1072 -8.1072 -3.5807 -3.5807 -3.3195 -3.3195 -3.2308 -3.2308 -3.0304 -3.0304 -2.8755 -2.8755 -1.0750 -1.0750 -0.8361 -0.8361 -0.7213 -0.7213 3.3503 3.3503 6.4432 6.4432 6.7835 6.7835 6.8722 6.8722 7.6475 7.6475 7.7183 7.7183 9.7068 9.7068 12.3502 12.3502 14.4571 14.4571 17.1534 17.1534 k = 0.5093 0.1411 0.0246 ( 2272 PWs) bands (ev): -20.1799 -20.1799 -8.9504 -8.9504 -8.1054 -8.1054 -3.5800 -3.5800 -3.3181 -3.3181 -3.2289 -3.2289 -3.0310 -3.0310 -2.8757 -2.8757 -1.0774 -1.0774 -0.8367 -0.8367 -0.7215 -0.7215 3.3567 3.3567 6.4368 6.4368 6.7847 6.7847 6.8723 6.8723 7.6655 7.6655 7.7272 7.7272 9.7015 9.7015 12.3232 12.3232 14.4456 14.4456 17.1751 17.1751 k = 0.5062 0.1403 0.0445 ( 2276 PWs) bands (ev): -20.1805 -20.1805 -8.9531 -8.9531 -8.1041 -8.1041 -3.5795 -3.5795 -3.3170 -3.3170 -3.2276 -3.2276 -3.0314 -3.0314 -2.8759 -2.8759 -1.0791 -1.0791 -0.8372 -0.8372 -0.7216 -0.7216 3.3613 3.3613 6.4321 6.4321 6.7854 6.7854 6.8724 6.8724 7.6772 7.6772 7.7350 7.7350 9.6977 9.6977 12.3037 12.3037 14.4373 14.4373 17.1875 17.1875 k = 0.5031 0.1394 0.0643 ( 2282 PWs) bands (ev): -20.1808 -20.1808 -8.9548 -8.9548 -8.1034 -8.1034 -3.5793 -3.5793 -3.3164 -3.3164 -3.2269 -3.2269 -3.0316 -3.0316 -2.8759 -2.8759 -1.0801 -1.0801 -0.8374 -0.8374 -0.7217 -0.7217 3.3641 3.3641 6.4293 6.4293 6.7858 6.7858 6.8724 6.8724 7.6835 7.6835 7.7404 7.7404 9.6955 9.6955 12.2919 12.2919 14.4323 14.4323 17.1932 17.1932 k = 0.5000 0.1386 0.0841 ( 2276 PWs) bands (ev): -20.1810 -20.1810 -8.9553 -8.9553 -8.1031 -8.1031 -3.5792 -3.5792 -3.3162 -3.3162 -3.2266 -3.2266 -3.0316 -3.0316 -2.8760 -2.8760 -1.0805 -1.0805 -0.8375 -0.8375 -0.7217 -0.7217 3.3651 3.3651 6.4283 6.4283 6.7860 6.7860 6.8724 6.8724 7.6855 7.6855 7.7424 7.7424 9.6947 9.6947 12.2880 12.2880 14.4306 14.4306 17.1948 17.1948 k = 0.5000-0.8328-0.5055 ( 2304 PWs) bands (ev): -20.0359 -20.0359 -8.4803 -8.4803 -8.1302 -8.1302 -4.1456 -4.1456 -3.6391 -3.6391 -3.4883 -3.4883 -2.9183 -2.9183 -2.5206 -2.5206 -0.9442 -0.9442 -0.5999 -0.5999 -0.2735 -0.2735 3.2801 3.2801 4.4992 4.4992 5.8997 5.8997 6.0956 6.0956 7.5373 7.5373 7.6685 7.6685 11.1296 11.1296 13.1258 13.1258 14.5555 14.5555 17.2003 17.2003 k = 0.5175-0.8251-0.5008 ( 2304 PWs) bands (ev): -20.0359 -20.0359 -8.4800 -8.4800 -8.1306 -8.1306 -4.1454 -4.1454 -3.6388 -3.6388 -3.4882 -3.4882 -2.9185 -2.9185 -2.5208 -2.5208 -0.9443 -0.9443 -0.6000 -0.6000 -0.2736 -0.2736 3.2792 3.2792 4.5002 4.5002 5.9010 5.9010 6.0965 6.0965 7.5364 7.5364 7.6678 7.6678 11.1286 11.1286 13.1274 13.1274 14.5553 14.5553 17.1969 17.1969 k = 0.5351-0.8174-0.4961 ( 2300 PWs) bands (ev): -20.0359 -20.0359 -8.4791 -8.4791 -8.1317 -8.1317 -4.1448 -4.1448 -3.6380 -3.6380 -3.4877 -3.4877 -2.9193 -2.9193 -2.5215 -2.5215 -0.9447 -0.9447 -0.6004 -0.6004 -0.2740 -0.2740 3.2765 3.2765 4.5034 4.5034 5.9048 5.9048 6.0990 6.0990 7.5337 7.5337 7.6657 7.6657 11.1255 11.1255 13.1319 13.1319 14.5548 14.5548 17.1870 17.1870 k = 0.5526-0.8097-0.4914 ( 2296 PWs) bands (ev): -20.0359 -20.0359 -8.4777 -8.4777 -8.1335 -8.1335 -4.1438 -4.1438 -3.6366 -3.6366 -3.4870 -3.4870 -2.9205 -2.9205 -2.5225 -2.5225 -0.9453 -0.9453 -0.6011 -0.6011 -0.2746 -0.2746 3.2722 3.2722 4.5086 4.5086 5.9111 5.9111 6.1031 6.1031 7.5292 7.5292 7.6624 7.6624 11.1205 11.1205 13.1395 13.1395 14.5538 14.5538 17.1708 17.1708 k = 0.5702-0.8020-0.4868 ( 2292 PWs) bands (ev): -20.0359 -20.0359 -8.4758 -8.4758 -8.1360 -8.1360 -4.1425 -4.1425 -3.6346 -3.6346 -3.4859 -3.4859 -2.9221 -2.9221 -2.5240 -2.5240 -0.9462 -0.9462 -0.6019 -0.6019 -0.2755 -0.2755 3.2662 3.2662 4.5157 4.5157 5.9197 5.9197 6.1089 6.1089 7.5230 7.5230 7.6577 7.6577 11.1136 11.1136 13.1499 13.1499 14.5524 14.5524 17.1489 17.1489 k = 0.5877-0.7943-0.4821 ( 2292 PWs) bands (ev): -20.0359 -20.0359 -8.4733 -8.4733 -8.1392 -8.1392 -4.1408 -4.1408 -3.6322 -3.6322 -3.4846 -3.4846 -2.9243 -2.9243 -2.5258 -2.5258 -0.9473 -0.9473 -0.6031 -0.6031 -0.2765 -0.2765 3.2587 3.2587 4.5248 4.5248 5.9305 5.9305 6.1164 6.1164 7.5150 7.5150 7.6518 7.6518 11.1048 11.1048 13.1631 13.1631 14.5505 14.5505 17.1219 17.1219 k = 0.6053-0.7866-0.4774 ( 2290 PWs) bands (ev): -20.0359 -20.0359 -8.4703 -8.4703 -8.1430 -8.1430 -4.1387 -4.1387 -3.6293 -3.6293 -3.4829 -3.4829 -2.9268 -2.9268 -2.5281 -2.5281 -0.9486 -0.9486 -0.6044 -0.6044 -0.2778 -0.2778 3.2499 3.2499 4.5356 4.5356 5.9432 5.9432 6.1255 6.1255 7.5054 7.5054 7.6447 7.6447 11.0945 11.0945 13.1790 13.1790 14.5481 14.5481 17.0905 17.0905 k = 0.6228-0.7789-0.4728 ( 2292 PWs) bands (ev): -20.0360 -20.0360 -8.4668 -8.4668 -8.1475 -8.1475 -4.1364 -4.1364 -3.6260 -3.6260 -3.4810 -3.4810 -2.9298 -2.9298 -2.5306 -2.5306 -0.9500 -0.9500 -0.6059 -0.6059 -0.2794 -0.2794 3.2399 3.2399 4.5480 4.5480 5.9576 5.9576 6.1362 6.1362 7.4943 7.4943 7.6365 7.6365 11.0827 11.0827 13.1974 13.1974 14.5450 14.5450 17.0556 17.0556 k = 0.6404-0.7712-0.4681 ( 2294 PWs) bands (ev): -20.0360 -20.0360 -8.4628 -8.4628 -8.1526 -8.1526 -4.1337 -4.1337 -3.6224 -3.6224 -3.4787 -3.4787 -2.9331 -2.9331 -2.5335 -2.5335 -0.9517 -0.9517 -0.6077 -0.6077 -0.2810 -0.2810 3.2289 3.2289 4.5620 4.5620 5.9734 5.9734 6.1486 6.1486 7.4816 7.4816 7.6273 7.6273 11.0696 11.0696 13.2180 13.2180 14.5411 14.5411 17.0179 17.0179 k = 0.6579-0.7635-0.4634 ( 2284 PWs) bands (ev): -20.0361 -20.0361 -8.4583 -8.4583 -8.1583 -8.1583 -4.1308 -4.1308 -3.6185 -3.6185 -3.4761 -3.4761 -2.9368 -2.9368 -2.5367 -2.5367 -0.9535 -0.9535 -0.6096 -0.6096 -0.2829 -0.2829 3.2172 3.2172 4.5773 4.5773 5.9902 5.9902 6.1626 6.1626 7.4676 7.4676 7.6173 7.6173 11.0554 11.0554 13.2408 13.2408 14.5365 14.5365 16.9783 16.9783 k = 0.6755-0.7558-0.4587 ( 2283 PWs) bands (ev): -20.0361 -20.0361 -8.4534 -8.4534 -8.1645 -8.1645 -4.1277 -4.1277 -3.6144 -3.6144 -3.4732 -3.4732 -2.9409 -2.9409 -2.5401 -2.5401 -0.9554 -0.9554 -0.6116 -0.6116 -0.2849 -0.2849 3.2048 3.2048 4.5938 4.5938 6.0077 6.0077 6.1782 6.1782 7.4523 7.4523 7.6065 7.6065 11.0404 11.0404 13.2654 13.2654 14.5309 14.5309 16.9376 16.9376 k = 0.6930-0.7481-0.4541 ( 2283 PWs) bands (ev): -20.0362 -20.0362 -8.4480 -8.4480 -8.1712 -8.1712 -4.1243 -4.1243 -3.6102 -3.6102 -3.4700 -3.4700 -2.9451 -2.9451 -2.5438 -2.5438 -0.9574 -0.9574 -0.6138 -0.6138 -0.2870 -0.2870 3.1920 3.1920 4.6113 4.6113 6.0256 6.0256 6.1951 6.1951 7.4359 7.4359 7.5951 7.5951 11.0247 11.0247 13.2917 13.2917 14.5243 14.5243 16.8965 16.8965 k = 0.7105-0.7404-0.4494 ( 2279 PWs) bands (ev): -20.0363 -20.0363 -8.4422 -8.4422 -8.1783 -8.1783 -4.1209 -4.1209 -3.6059 -3.6059 -3.4665 -3.4665 -2.9496 -2.9496 -2.5476 -2.5476 -0.9594 -0.9594 -0.6160 -0.6160 -0.2892 -0.2892 3.1790 3.1790 4.6296 4.6296 6.0436 6.0436 6.2134 6.2134 7.4186 7.4186 7.5833 7.5833 11.0087 11.0087 13.3193 13.3193 14.5167 14.5167 16.8556 16.8556 k = 0.7281-0.7327-0.4447 ( 2281 PWs) bands (ev): -20.0364 -20.0364 -8.4361 -8.4361 -8.1858 -8.1858 -4.1173 -4.1173 -3.6017 -3.6017 -3.4628 -3.4628 -2.9543 -2.9543 -2.5516 -2.5516 -0.9615 -0.9615 -0.6184 -0.6184 -0.2915 -0.2915 3.1660 3.1660 4.6487 4.6487 6.0613 6.0613 6.2328 6.2328 7.4004 7.4004 7.5711 7.5711 10.9925 10.9925 13.3480 13.3480 14.5079 14.5079 16.8156 16.8156 k = 0.7456-0.7250-0.4401 ( 2283 PWs) bands (ev): -20.0364 -20.0364 -8.4296 -8.4296 -8.1937 -8.1937 -4.1136 -4.1136 -3.5975 -3.5975 -3.4588 -3.4588 -2.9591 -2.9591 -2.5556 -2.5556 -0.9635 -0.9635 -0.6207 -0.6207 -0.2938 -0.2938 3.1531 3.1531 4.6682 4.6682 6.0787 6.0787 6.2530 6.2530 7.3817 7.3817 7.5588 7.5588 10.9764 10.9764 13.3775 13.3775 14.4980 14.4980 16.7770 16.7770 k = 0.7632-0.7173-0.4354 ( 2282 PWs) bands (ev): -20.0365 -20.0365 -8.4229 -8.4229 -8.2018 -8.2018 -4.1098 -4.1098 -3.5935 -3.5935 -3.4548 -3.4548 -2.9639 -2.9639 -2.5597 -2.5597 -0.9656 -0.9656 -0.6231 -0.6231 -0.2962 -0.2962 3.1404 3.1404 4.6882 4.6882 6.0953 6.0953 6.2738 6.2738 7.3625 7.3625 7.5466 7.5466 10.9606 10.9606 13.4074 13.4074 14.4870 14.4870 16.7403 16.7403 k = 0.7807-0.7096-0.4307 ( 2282 PWs) bands (ev): -20.0366 -20.0366 -8.4159 -8.4159 -8.2102 -8.2102 -4.1061 -4.1061 -3.5898 -3.5898 -3.4506 -3.4506 -2.9686 -2.9686 -2.5638 -2.5638 -0.9675 -0.9675 -0.6254 -0.6254 -0.2986 -0.2986 3.1282 3.1282 4.7083 4.7083 6.1112 6.1112 6.2946 6.2946 7.3431 7.3431 7.5346 7.5346 10.9454 10.9454 13.4374 13.4374 14.4750 14.4750 16.7058 16.7058 k = 0.7983-0.7019-0.4260 ( 2284 PWs) bands (ev): -20.0367 -20.0367 -8.4089 -8.4089 -8.2186 -8.2186 -4.1024 -4.1024 -3.5863 -3.5863 -3.4464 -3.4464 -2.9733 -2.9733 -2.5678 -2.5678 -0.9694 -0.9694 -0.6278 -0.6278 -0.3009 -0.3009 3.1165 3.1165 4.7284 4.7284 6.1261 6.1261 6.3152 6.3152 7.3238 7.3238 7.5231 7.5231 10.9310 10.9310 13.4671 13.4671 14.4621 14.4621 16.6739 16.6739 k = 0.8158-0.6943-0.4214 ( 2284 PWs) bands (ev): -20.0369 -20.0369 -8.4017 -8.4017 -8.2270 -8.2270 -4.0988 -4.0988 -3.5831 -3.5831 -3.4424 -3.4424 -2.9777 -2.9777 -2.5716 -2.5716 -0.9711 -0.9711 -0.6300 -0.6300 -0.3033 -0.3033 3.1054 3.1054 4.7485 4.7485 6.1398 6.1398 6.3350 6.3350 7.3048 7.3048 7.5122 7.5122 10.9176 10.9176 13.4960 13.4960 14.4486 14.4486 16.6448 16.6448 Writing output data file KTlO2.save init_run : 0.33s CPU 0.49s WALL ( 1 calls) electrons : 156.94s CPU 159.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 156.94s CPU 159.17s 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 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 352 calls) cegterg : 144.20s CPU 146.07s WALL ( 462 calls) Called by sum_band: Called by *egterg: h_psi : 99.08s CPU 100.55s WALL ( 8537 calls) s_psi : 3.48s CPU 3.39s WALL ( 8537 calls) g_psi : 0.09s CPU 0.11s WALL ( 7723 calls) cdiaghg : 45.05s CPU 45.95s WALL ( 8075 calls) cegterg:over : 3.06s CPU 2.99s WALL ( 7723 calls) cegterg:upda : 2.28s CPU 2.12s WALL ( 7723 calls) cegterg:last : 1.23s CPU 1.15s WALL ( 1166 calls) cdiaghg:chol : 2.22s CPU 2.39s WALL ( 8075 calls) cdiaghg:inve : 1.39s CPU 1.48s WALL ( 8075 calls) cdiaghg:para : 2.63s CPU 2.58s WALL ( 16150 calls) Called by h_psi: h_psi:vloc : 94.05s CPU 95.39s WALL ( 8537 calls) h_psi:vnl : 4.96s CPU 5.07s WALL ( 8537 calls) add_vuspsi : 2.71s CPU 2.71s WALL ( 8537 calls) General routines calbec : 2.20s CPU 2.34s WALL ( 8537 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 87.83s CPU 89.20s WALL ( 670740 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.13s WALL ( 704 calls) Parallel routines fft_scatter : 21.98s CPU 22.46s WALL ( 670763 calls) PWSCF : 2m49.20s CPU 3m15.49s WALL This run was terminated on: 19:48:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=