Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:12:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaO2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 26 8 903 389 65 Max 47 27 9 906 406 68 Sum 1681 969 291 32541 14379 2391 bravais-lattice index = 14 lattice parameter (alat) = 8.1748 a.u. unit-cell volume = 330.5517 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.174771 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.613856 celldm(5)= -0.613856 celldm(6)= 0.227712 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.227712 0.973729 0.000000 ) a(3) = ( -0.613856 -0.486864 0.621405 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.233856 0.804628 ) b(2) = ( 0.000000 1.026980 0.804628 ) b(3) = ( 0.000000 0.000000 1.609257 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 413 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 2) = ( 0.0000000 0.0000000 0.0136378), wk = 0.0024213 k( 3) = ( 0.0000000 0.0000000 0.0272755), wk = 0.0024213 k( 4) = ( 0.0000000 0.0000000 0.0409133), wk = 0.0024213 k( 5) = ( 0.0000000 0.0000000 0.0545511), wk = 0.0024213 k( 6) = ( 0.0000000 0.0000000 0.0681888), wk = 0.0024213 k( 7) = ( 0.0000000 0.0000000 0.0818266), wk = 0.0024213 k( 8) = ( 0.0000000 0.0000000 0.0954644), wk = 0.0024213 k( 9) = ( 0.0000000 0.0000000 0.1091022), wk = 0.0024213 k( 10) = ( 0.0000000 0.0000000 0.1227399), wk = 0.0024213 k( 11) = ( 0.0000000 0.0000000 0.1363777), wk = 0.0024213 k( 12) = ( 0.0000000 0.0000000 0.1500155), wk = 0.0024213 k( 13) = ( 0.0000000 0.0000000 0.1636532), wk = 0.0024213 k( 14) = ( 0.0000000 0.0000000 0.1772910), wk = 0.0024213 k( 15) = ( 0.0000000 0.0000000 0.1909288), wk = 0.0024213 k( 16) = ( 0.0000000 0.0000000 0.2045665), wk = 0.0024213 k( 17) = ( 0.0000000 0.0000000 0.2182043), wk = 0.0024213 k( 18) = ( 0.0000000 0.0000000 0.2318421), wk = 0.0024213 k( 19) = ( 0.0000000 0.0000000 0.2454798), wk = 0.0024213 k( 20) = ( 0.0000000 0.0000000 0.2591176), wk = 0.0024213 k( 21) = ( 0.0000000 0.0000000 0.2727554), wk = 0.0024213 k( 22) = ( 0.0000000 0.0000000 0.2863932), wk = 0.0024213 k( 23) = ( 0.0000000 0.0000000 0.3000309), wk = 0.0024213 k( 24) = ( 0.0000000 0.0000000 0.3136687), wk = 0.0024213 k( 25) = ( 0.0000000 0.0000000 0.3273065), wk = 0.0024213 k( 26) = ( 0.0000000 0.0000000 0.3409442), wk = 0.0024213 k( 27) = ( 0.0000000 0.0000000 0.3545820), wk = 0.0024213 k( 28) = ( 0.0000000 0.0000000 0.3682198), wk = 0.0024213 k( 29) = ( 0.0000000 0.0000000 0.3818575), wk = 0.0024213 k( 30) = ( 0.0000000 0.0000000 0.3954953), wk = 0.0024213 k( 31) = ( 0.0000000 0.0000000 0.4091331), wk = 0.0024213 k( 32) = ( 0.0000000 0.0000000 0.4227708), wk = 0.0024213 k( 33) = ( 0.0000000 0.0000000 0.4364086), wk = 0.0024213 k( 34) = ( 0.0000000 0.0000000 0.4500464), wk = 0.0024213 k( 35) = ( 0.0000000 0.0000000 0.4636841), wk = 0.0024213 k( 36) = ( 0.0000000 0.0000000 0.4773219), wk = 0.0024213 k( 37) = ( 0.0000000 0.0000000 0.4909597), wk = 0.0024213 k( 38) = ( 0.0000000 0.0000000 0.5045975), wk = 0.0024213 k( 39) = ( 0.0000000 0.0000000 0.5182352), wk = 0.0024213 k( 40) = ( 0.0000000 0.0000000 0.5318730), wk = 0.0024213 k( 41) = ( 0.0000000 0.0000000 0.5455108), wk = 0.0024213 k( 42) = ( 0.0000000 0.0000000 0.5591485), wk = 0.0024213 k( 43) = ( 0.0000000 0.0000000 0.5727863), wk = 0.0024213 k( 44) = ( 0.0000000 0.0000000 0.5864241), wk = 0.0024213 k( 45) = ( 0.0000000 0.0000000 0.6000619), wk = 0.0024213 k( 46) = ( 0.0000000 0.0000000 0.6136996), wk = 0.0024213 k( 47) = ( 0.0000000 0.0000000 0.6273374), wk = 0.0024213 k( 48) = ( 0.0000000 0.0000000 0.6409751), wk = 0.0024213 k( 49) = ( 0.0000000 0.0000000 0.6546129), wk = 0.0024213 k( 50) = ( 0.0000000 0.0000000 0.6682507), wk = 0.0024213 k( 51) = ( 0.0000000 0.0000000 0.6818885), wk = 0.0024213 k( 52) = ( 0.0000000 0.0000000 0.6955262), wk = 0.0024213 k( 53) = ( 0.0000000 0.0000000 0.7091640), wk = 0.0024213 k( 54) = ( 0.0000000 0.0000000 0.7228018), wk = 0.0024213 k( 55) = ( 0.0000000 0.0000000 0.7364395), wk = 0.0024213 k( 56) = ( 0.0000000 0.0000000 0.7500773), wk = 0.0024213 k( 57) = ( 0.0000000 0.0000000 0.7637151), wk = 0.0024213 k( 58) = ( 0.0000000 0.0000000 0.7773528), wk = 0.0024213 k( 59) = ( 0.0000000 0.0000000 0.7909906), wk = 0.0024213 k( 60) = ( 0.0000000 0.0000000 0.8046284), wk = 0.0024213 k( 61) = ( 0.0000000 0.0000000 0.8046284), wk = 0.0024213 k( 62) = ( -0.0082769 0.0104359 0.8046284), wk = 0.0024213 k( 63) = ( -0.0165539 0.0208717 0.8046284), wk = 0.0024213 k( 64) = ( -0.0248308 0.0313076 0.8046284), wk = 0.0024213 k( 65) = ( -0.0331077 0.0417434 0.8046284), wk = 0.0024213 k( 66) = ( -0.0413846 0.0521792 0.8046284), wk = 0.0024213 k( 67) = ( -0.0496616 0.0626151 0.8046284), wk = 0.0024213 k( 68) = ( -0.0579385 0.0730509 0.8046284), wk = 0.0024213 k( 69) = ( -0.0662154 0.0834868 0.8046284), wk = 0.0024213 k( 70) = ( -0.0744924 0.0939226 0.8046284), wk = 0.0024213 k( 71) = ( -0.0827693 0.1043585 0.8046284), wk = 0.0024213 k( 72) = ( -0.0910462 0.1147943 0.8046284), wk = 0.0024213 k( 73) = ( -0.0993231 0.1252302 0.8046284), wk = 0.0024213 k( 74) = ( -0.1076001 0.1356661 0.8046284), wk = 0.0024213 k( 75) = ( -0.1158770 0.1461019 0.8046284), wk = 0.0024213 k( 76) = ( -0.1241539 0.1565377 0.8046284), wk = 0.0024213 k( 77) = ( -0.1324309 0.1669736 0.8046284), wk = 0.0024213 k( 78) = ( -0.1407078 0.1774094 0.8046284), wk = 0.0024213 k( 79) = ( -0.1489847 0.1878453 0.8046284), wk = 0.0024213 k( 80) = ( -0.1572617 0.1982811 0.8046284), wk = 0.0024213 k( 81) = ( -0.1572617 0.1982811 0.8046284), wk = 0.0024213 k( 82) = ( -0.1631709 0.2057318 0.7951188), wk = 0.0024213 k( 83) = ( -0.1690802 0.2131824 0.7856093), wk = 0.0024213 k( 84) = ( -0.1749895 0.2206331 0.7760997), wk = 0.0024213 k( 85) = ( -0.1808988 0.2280837 0.7665902), wk = 0.0024213 k( 86) = ( -0.1868081 0.2355343 0.7570806), wk = 0.0024213 k( 87) = ( -0.1927173 0.2429850 0.7475711), wk = 0.0024213 k( 88) = ( -0.1986266 0.2504356 0.7380615), wk = 0.0024213 k( 89) = ( -0.2045359 0.2578862 0.7285520), wk = 0.0024213 k( 90) = ( -0.2104452 0.2653369 0.7190424), wk = 0.0024213 k( 91) = ( -0.2163545 0.2727875 0.7095329), wk = 0.0024213 k( 92) = ( -0.2222638 0.2802381 0.7000233), wk = 0.0024213 k( 93) = ( -0.2281730 0.2876888 0.6905138), wk = 0.0024213 k( 94) = ( -0.2340823 0.2951394 0.6810042), wk = 0.0024213 k( 95) = ( -0.2399916 0.3025900 0.6714947), wk = 0.0024213 k( 96) = ( -0.2459009 0.3100407 0.6619851), wk = 0.0024213 k( 97) = ( -0.2518102 0.3174913 0.6524756), wk = 0.0024213 k( 98) = ( -0.2577194 0.3249419 0.6429660), wk = 0.0024213 k( 99) = ( -0.2636287 0.3323926 0.6334565), wk = 0.0024213 k( 100) = ( -0.2695380 0.3398432 0.6239469), wk = 0.0024213 k( 101) = ( -0.2754473 0.3472939 0.6144373), wk = 0.0024213 k( 102) = ( -0.2813566 0.3547445 0.6049278), wk = 0.0024213 k( 103) = ( -0.2872658 0.3621951 0.5954182), wk = 0.0024213 k( 104) = ( -0.2931751 0.3696457 0.5859087), wk = 0.0024213 k( 105) = ( -0.2990844 0.3770964 0.5763991), wk = 0.0024213 k( 106) = ( -0.3049937 0.3845470 0.5668896), wk = 0.0024213 k( 107) = ( -0.3109030 0.3919977 0.5573800), wk = 0.0024213 k( 108) = ( -0.3168123 0.3994483 0.5478705), wk = 0.0024213 k( 109) = ( -0.3227215 0.4068989 0.5383609), wk = 0.0024213 k( 110) = ( -0.3286308 0.4143496 0.5288514), wk = 0.0024213 k( 111) = ( -0.3286308 0.4143496 0.5288514), wk = 0.0024213 k( 112) = ( -0.3226557 0.4068159 0.5192359), wk = 0.0024213 k( 113) = ( -0.3166806 0.3992823 0.5096204), wk = 0.0024213 k( 114) = ( -0.3107055 0.3917487 0.5000049), wk = 0.0024213 k( 115) = ( -0.3047304 0.3842150 0.4903895), wk = 0.0024213 k( 116) = ( -0.2987553 0.3766814 0.4807740), wk = 0.0024213 k( 117) = ( -0.2927802 0.3691478 0.4711585), wk = 0.0024213 k( 118) = ( -0.2868051 0.3616142 0.4615430), wk = 0.0024213 k( 119) = ( -0.2808300 0.3540805 0.4519275), wk = 0.0024213 k( 120) = ( -0.2748549 0.3465469 0.4423121), wk = 0.0024213 k( 121) = ( -0.2688798 0.3390133 0.4326966), wk = 0.0024213 k( 122) = ( -0.2629047 0.3314797 0.4230811), wk = 0.0024213 k( 123) = ( -0.2569296 0.3239460 0.4134656), wk = 0.0024213 k( 124) = ( -0.2509544 0.3164124 0.4038501), wk = 0.0024213 k( 125) = ( -0.2449793 0.3088788 0.3942347), wk = 0.0024213 k( 126) = ( -0.2390042 0.3013451 0.3846192), wk = 0.0024213 k( 127) = ( -0.2330291 0.2938115 0.3750037), wk = 0.0024213 k( 128) = ( -0.2270540 0.2862779 0.3653882), wk = 0.0024213 k( 129) = ( -0.2210789 0.2787443 0.3557727), wk = 0.0024213 k( 130) = ( -0.2151038 0.2712106 0.3461573), wk = 0.0024213 k( 131) = ( -0.2091287 0.2636770 0.3365418), wk = 0.0024213 k( 132) = ( -0.2031536 0.2561434 0.3269263), wk = 0.0024213 k( 133) = ( -0.1971785 0.2486097 0.3173108), wk = 0.0024213 k( 134) = ( -0.1912034 0.2410761 0.3076953), wk = 0.0024213 k( 135) = ( -0.1852283 0.2335425 0.2980799), wk = 0.0024213 k( 136) = ( -0.1792532 0.2260089 0.2884644), wk = 0.0024213 k( 137) = ( -0.1732781 0.2184752 0.2788489), wk = 0.0024213 k( 138) = ( -0.1673030 0.2109416 0.2692334), wk = 0.0024213 k( 139) = ( -0.1613279 0.2034080 0.2596180), wk = 0.0024213 k( 140) = ( -0.1553528 0.1958743 0.2500025), wk = 0.0024213 k( 141) = ( -0.1493777 0.1883407 0.2403870), wk = 0.0024213 k( 142) = ( -0.1434025 0.1808071 0.2307715), wk = 0.0024213 k( 143) = ( -0.1374274 0.1732735 0.2211560), wk = 0.0024213 k( 144) = ( -0.1314523 0.1657398 0.2115406), wk = 0.0024213 k( 145) = ( -0.1254772 0.1582062 0.2019251), wk = 0.0024213 k( 146) = ( -0.1195021 0.1506726 0.1923096), wk = 0.0024213 k( 147) = ( -0.1135270 0.1431389 0.1826941), wk = 0.0024213 k( 148) = ( -0.1075519 0.1356053 0.1730786), wk = 0.0024213 k( 149) = ( -0.1015768 0.1280717 0.1634632), wk = 0.0024213 k( 150) = ( -0.0956017 0.1205380 0.1538477), wk = 0.0024213 k( 151) = ( -0.0896266 0.1130044 0.1442322), wk = 0.0024213 k( 152) = ( -0.0836515 0.1054708 0.1346167), wk = 0.0024213 k( 153) = ( -0.0776764 0.0979372 0.1250012), wk = 0.0024213 k( 154) = ( -0.0717013 0.0904035 0.1153858), wk = 0.0024213 k( 155) = ( -0.0657262 0.0828699 0.1057703), wk = 0.0024213 k( 156) = ( -0.0597511 0.0753363 0.0961548), wk = 0.0024213 k( 157) = ( -0.0537760 0.0678027 0.0865393), wk = 0.0024213 k( 158) = ( -0.0478008 0.0602690 0.0769238), wk = 0.0024213 k( 159) = ( -0.0418257 0.0527354 0.0673084), wk = 0.0024213 k( 160) = ( -0.0358506 0.0452018 0.0576929), wk = 0.0024213 k( 161) = ( -0.0298755 0.0376681 0.0480774), wk = 0.0024213 k( 162) = ( -0.0239004 0.0301345 0.0384619), wk = 0.0024213 k( 163) = ( -0.0179253 0.0226009 0.0288464), wk = 0.0024213 k( 164) = ( -0.0119502 0.0150673 0.0192310), wk = 0.0024213 k( 165) = ( -0.0059751 0.0075336 0.0096155), wk = 0.0024213 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 168) = ( 0.0106383 0.0084375 -0.0000000), wk = 0.0024213 k( 169) = ( 0.0212766 0.0168750 -0.0000000), wk = 0.0024213 k( 170) = ( 0.0319149 0.0253125 -0.0000000), wk = 0.0024213 k( 171) = ( 0.0425532 0.0337500 -0.0000000), wk = 0.0024213 k( 172) = ( 0.0531915 0.0421875 -0.0000000), wk = 0.0024213 k( 173) = ( 0.0638298 0.0506250 -0.0000000), wk = 0.0024213 k( 174) = ( 0.0744681 0.0590625 -0.0000000), wk = 0.0024213 k( 175) = ( 0.0851064 0.0675000 -0.0000000), wk = 0.0024213 k( 176) = ( 0.0957447 0.0759375 -0.0000000), wk = 0.0024213 k( 177) = ( 0.1063830 0.0843750 -0.0000000), wk = 0.0024213 k( 178) = ( 0.1170213 0.0928125 -0.0000000), wk = 0.0024213 k( 179) = ( 0.1276596 0.1012499 -0.0000000), wk = 0.0024213 k( 180) = ( 0.1382979 0.1096874 -0.0000000), wk = 0.0024213 k( 181) = ( 0.1489362 0.1181249 -0.0000000), wk = 0.0024213 k( 182) = ( 0.1595745 0.1265624 -0.0000000), wk = 0.0024213 k( 183) = ( 0.1702128 0.1349999 -0.0000000), wk = 0.0024213 k( 184) = ( 0.1808511 0.1434374 -0.0000000), wk = 0.0024213 k( 185) = ( 0.1914894 0.1518749 -0.0000000), wk = 0.0024213 k( 186) = ( 0.2021277 0.1603124 -0.0000000), wk = 0.0024213 k( 187) = ( 0.2127660 0.1687499 -0.0000000), wk = 0.0024213 k( 188) = ( 0.2234043 0.1771874 -0.0000000), wk = 0.0024213 k( 189) = ( 0.2340425 0.1856249 -0.0000000), wk = 0.0024213 k( 190) = ( 0.2446809 0.1940624 -0.0000000), wk = 0.0024213 k( 191) = ( 0.2553191 0.2024999 -0.0000000), wk = 0.0024213 k( 192) = ( 0.2659574 0.2109374 -0.0000000), wk = 0.0024213 k( 193) = ( 0.2765957 0.2193749 -0.0000000), wk = 0.0024213 k( 194) = ( 0.2872340 0.2278124 -0.0000000), wk = 0.0024213 k( 195) = ( 0.2978723 0.2362499 -0.0000000), wk = 0.0024213 k( 196) = ( 0.3085106 0.2446874 -0.0000000), wk = 0.0024213 k( 197) = ( 0.3191489 0.2531249 -0.0000000), wk = 0.0024213 k( 198) = ( 0.3297872 0.2615624 -0.0000000), wk = 0.0024213 k( 199) = ( 0.3404255 0.2699999 -0.0000000), wk = 0.0024213 k( 200) = ( 0.3510638 0.2784374 -0.0000000), wk = 0.0024213 k( 201) = ( 0.3617021 0.2868748 -0.0000000), wk = 0.0024213 k( 202) = ( 0.3723404 0.2953123 -0.0000000), wk = 0.0024213 k( 203) = ( 0.3829787 0.3037498 -0.0000000), wk = 0.0024213 k( 204) = ( 0.3936170 0.3121873 -0.0000000), wk = 0.0024213 k( 205) = ( 0.4042553 0.3206248 -0.0000000), wk = 0.0024213 k( 206) = ( 0.4148936 0.3290623 -0.0000000), wk = 0.0024213 k( 207) = ( 0.4255319 0.3374998 -0.0000000), wk = 0.0024213 k( 208) = ( 0.4361702 0.3459373 -0.0000000), wk = 0.0024213 k( 209) = ( 0.4468085 0.3543748 -0.0000000), wk = 0.0024213 k( 210) = ( 0.4574468 0.3628123 -0.0000000), wk = 0.0024213 k( 211) = ( 0.4680851 0.3712498 -0.0000000), wk = 0.0024213 k( 212) = ( 0.4787234 0.3796873 -0.0000000), wk = 0.0024213 k( 213) = ( 0.4893617 0.3881248 -0.0000000), wk = 0.0024213 k( 214) = ( 0.5000000 0.3965623 -0.0000000), wk = 0.0024213 k( 215) = ( 0.5000000 0.3965623 -0.0000000), wk = 0.0024213 k( 216) = ( 0.4940907 0.4040129 0.0095095), wk = 0.0024213 k( 217) = ( 0.4881814 0.4114636 0.0190191), wk = 0.0024213 k( 218) = ( 0.4822722 0.4189142 0.0285287), wk = 0.0024213 k( 219) = ( 0.4763629 0.4263648 0.0380382), wk = 0.0024213 k( 220) = ( 0.4704536 0.4338155 0.0475478), wk = 0.0024213 k( 221) = ( 0.4645443 0.4412661 0.0570573), wk = 0.0024213 k( 222) = ( 0.4586350 0.4487167 0.0665669), wk = 0.0024213 k( 223) = ( 0.4527257 0.4561674 0.0760764), wk = 0.0024213 k( 224) = ( 0.4468165 0.4636180 0.0855860), wk = 0.0024213 k( 225) = ( 0.4409072 0.4710686 0.0950955), wk = 0.0024213 k( 226) = ( 0.4349979 0.4785193 0.1046051), wk = 0.0024213 k( 227) = ( 0.4290886 0.4859699 0.1141146), wk = 0.0024213 k( 228) = ( 0.4231793 0.4934205 0.1236242), wk = 0.0024213 k( 229) = ( 0.4172701 0.5008712 0.1331337), wk = 0.0024213 k( 230) = ( 0.4113608 0.5083218 0.1426433), wk = 0.0024213 k( 231) = ( 0.4054515 0.5157725 0.1521528), wk = 0.0024213 k( 232) = ( 0.3995422 0.5232231 0.1616624), wk = 0.0024213 k( 233) = ( 0.3936329 0.5306737 0.1711719), wk = 0.0024213 k( 234) = ( 0.3877236 0.5381244 0.1806815), wk = 0.0024213 k( 235) = ( 0.3818144 0.5455750 0.1901910), wk = 0.0024213 k( 236) = ( 0.3759051 0.5530256 0.1997006), wk = 0.0024213 k( 237) = ( 0.3699958 0.5604763 0.2092101), wk = 0.0024213 k( 238) = ( 0.3640865 0.5679269 0.2187197), wk = 0.0024213 k( 239) = ( 0.3581772 0.5753775 0.2282293), wk = 0.0024213 k( 240) = ( 0.3522679 0.5828282 0.2377388), wk = 0.0024213 k( 241) = ( 0.3463587 0.5902788 0.2472484), wk = 0.0024213 k( 242) = ( 0.3404494 0.5977294 0.2567579), wk = 0.0024213 k( 243) = ( 0.3345401 0.6051801 0.2662674), wk = 0.0024213 k( 244) = ( 0.3286308 0.6126307 0.2757770), wk = 0.0024213 k( 245) = ( 0.3286308 0.6126307 0.2757770), wk = 0.0024213 k( 246) = ( 0.3164593 0.6089588 0.2804636), wk = 0.0024213 k( 247) = ( 0.3042878 0.6052870 0.2851501), wk = 0.0024213 k( 248) = ( 0.2921163 0.6016151 0.2898367), wk = 0.0024213 k( 249) = ( 0.2799448 0.5979432 0.2945233), wk = 0.0024213 k( 250) = ( 0.2677733 0.5942713 0.2992098), wk = 0.0024213 k( 251) = ( 0.2556018 0.5905995 0.3038964), wk = 0.0024213 k( 252) = ( 0.2434302 0.5869276 0.3085829), wk = 0.0024213 k( 253) = ( 0.2312587 0.5832557 0.3132695), wk = 0.0024213 k( 254) = ( 0.2190872 0.5795839 0.3179561), wk = 0.0024213 k( 255) = ( 0.2069157 0.5759120 0.3226426), wk = 0.0024213 k( 256) = ( 0.1947442 0.5722401 0.3273292), wk = 0.0024213 k( 257) = ( 0.1825727 0.5685682 0.3320158), wk = 0.0024213 k( 258) = ( 0.1704012 0.5648964 0.3367023), wk = 0.0024213 k( 259) = ( 0.1582297 0.5612245 0.3413889), wk = 0.0024213 k( 260) = ( 0.1460581 0.5575526 0.3460754), wk = 0.0024213 k( 261) = ( 0.1338866 0.5538807 0.3507620), wk = 0.0024213 k( 262) = ( 0.1217151 0.5502089 0.3554486), wk = 0.0024213 k( 263) = ( 0.1095436 0.5465370 0.3601351), wk = 0.0024213 k( 264) = ( 0.0973721 0.5428651 0.3648217), wk = 0.0024213 k( 265) = ( 0.0852006 0.5391933 0.3695083), wk = 0.0024213 k( 266) = ( 0.0730291 0.5355214 0.3741948), wk = 0.0024213 k( 267) = ( 0.0608576 0.5318495 0.3788814), wk = 0.0024213 k( 268) = ( 0.0486861 0.5281776 0.3835679), wk = 0.0024213 k( 269) = ( 0.0365145 0.5245058 0.3882545), wk = 0.0024213 k( 270) = ( 0.0243430 0.5208339 0.3929411), wk = 0.0024213 k( 271) = ( 0.0121715 0.5171620 0.3976276), wk = 0.0024213 k( 272) = ( 0.0000000 0.5134901 0.4023142), wk = 0.0024213 k( 273) = ( 0.0000000 0.5134901 0.4023142), wk = 0.0024213 k( 274) = ( 0.0059524 0.5059852 0.4118931), wk = 0.0024213 k( 275) = ( 0.0119048 0.4984802 0.4214720), wk = 0.0024213 k( 276) = ( 0.0178571 0.4909752 0.4310509), wk = 0.0024213 k( 277) = ( 0.0238095 0.4834702 0.4406298), wk = 0.0024213 k( 278) = ( 0.0297619 0.4759653 0.4502087), wk = 0.0024213 k( 279) = ( 0.0357143 0.4684603 0.4597877), wk = 0.0024213 k( 280) = ( 0.0416667 0.4609553 0.4693666), wk = 0.0024213 k( 281) = ( 0.0476191 0.4534503 0.4789455), wk = 0.0024213 k( 282) = ( 0.0535714 0.4459454 0.4885244), wk = 0.0024213 k( 283) = ( 0.0595238 0.4384404 0.4981033), wk = 0.0024213 k( 284) = ( 0.0654762 0.4309354 0.5076822), wk = 0.0024213 k( 285) = ( 0.0714286 0.4234304 0.5172611), wk = 0.0024213 k( 286) = ( 0.0773810 0.4159255 0.5268400), wk = 0.0024213 k( 287) = ( 0.0833333 0.4084205 0.5364189), wk = 0.0024213 k( 288) = ( 0.0892857 0.4009155 0.5459978), wk = 0.0024213 k( 289) = ( 0.0952381 0.3934105 0.5555767), wk = 0.0024213 k( 290) = ( 0.1011905 0.3859055 0.5651557), wk = 0.0024213 k( 291) = ( 0.1071429 0.3784006 0.5747346), wk = 0.0024213 k( 292) = ( 0.1130952 0.3708956 0.5843135), wk = 0.0024213 k( 293) = ( 0.1190476 0.3633906 0.5938924), wk = 0.0024213 k( 294) = ( 0.1250000 0.3558856 0.6034713), wk = 0.0024213 k( 295) = ( 0.1309524 0.3483807 0.6130502), wk = 0.0024213 k( 296) = ( 0.1369048 0.3408757 0.6226291), wk = 0.0024213 k( 297) = ( 0.1428571 0.3333707 0.6322080), wk = 0.0024213 k( 298) = ( 0.1488095 0.3258657 0.6417869), wk = 0.0024213 k( 299) = ( 0.1547619 0.3183608 0.6513658), wk = 0.0024213 k( 300) = ( 0.1607143 0.3108558 0.6609448), wk = 0.0024213 k( 301) = ( 0.1666667 0.3033508 0.6705237), wk = 0.0024213 k( 302) = ( 0.1726190 0.2958458 0.6801026), wk = 0.0024213 k( 303) = ( 0.1785714 0.2883409 0.6896815), wk = 0.0024213 k( 304) = ( 0.1845238 0.2808359 0.6992604), wk = 0.0024213 k( 305) = ( 0.1904762 0.2733309 0.7088393), wk = 0.0024213 k( 306) = ( 0.1964286 0.2658259 0.7184182), wk = 0.0024213 k( 307) = ( 0.2023810 0.2583210 0.7279971), wk = 0.0024213 k( 308) = ( 0.2083333 0.2508160 0.7375760), wk = 0.0024213 k( 309) = ( 0.2142857 0.2433110 0.7471549), wk = 0.0024213 k( 310) = ( 0.2202381 0.2358060 0.7567338), wk = 0.0024213 k( 311) = ( 0.2261905 0.2283010 0.7663128), wk = 0.0024213 k( 312) = ( 0.2321429 0.2207961 0.7758917), wk = 0.0024213 k( 313) = ( 0.2380952 0.2132911 0.7854706), wk = 0.0024213 k( 314) = ( 0.2440476 0.2057861 0.7950495), wk = 0.0024213 k( 315) = ( 0.2500000 0.1982811 0.8046284), wk = 0.0024213 k( 316) = ( 0.2500000 0.1982811 0.8046284), wk = 0.0024213 k( 317) = ( 0.2583333 0.2048905 0.7961926), wk = 0.0024213 k( 318) = ( 0.2666667 0.2114999 0.7877568), wk = 0.0024213 k( 319) = ( 0.2750000 0.2181093 0.7793210), wk = 0.0024213 k( 320) = ( 0.2833333 0.2247186 0.7708851), wk = 0.0024213 k( 321) = ( 0.2916667 0.2313280 0.7624493), wk = 0.0024213 k( 322) = ( 0.3000000 0.2379374 0.7540135), wk = 0.0024213 k( 323) = ( 0.3083333 0.2445467 0.7455777), wk = 0.0024213 k( 324) = ( 0.3166667 0.2511561 0.7371419), wk = 0.0024213 k( 325) = ( 0.3250000 0.2577655 0.7287061), wk = 0.0024213 k( 326) = ( 0.3333333 0.2643749 0.7202703), wk = 0.0024213 k( 327) = ( 0.3416667 0.2709842 0.7118345), wk = 0.0024213 k( 328) = ( 0.3500000 0.2775936 0.7033986), wk = 0.0024213 k( 329) = ( 0.3583333 0.2842030 0.6949628), wk = 0.0024213 k( 330) = ( 0.3666667 0.2908123 0.6865270), wk = 0.0024213 k( 331) = ( 0.3750000 0.2974217 0.6780912), wk = 0.0024213 k( 332) = ( 0.3833333 0.3040311 0.6696554), wk = 0.0024213 k( 333) = ( 0.3916667 0.3106405 0.6612196), wk = 0.0024213 k( 334) = ( 0.4000000 0.3172498 0.6527838), wk = 0.0024213 k( 335) = ( 0.4083333 0.3238592 0.6443479), wk = 0.0024213 k( 336) = ( 0.4166667 0.3304686 0.6359121), wk = 0.0024213 k( 337) = ( 0.4250000 0.3370779 0.6274763), wk = 0.0024213 k( 338) = ( 0.4333333 0.3436873 0.6190405), wk = 0.0024213 k( 339) = ( 0.4416667 0.3502967 0.6106047), wk = 0.0024213 k( 340) = ( 0.4500000 0.3569061 0.6021689), wk = 0.0024213 k( 341) = ( 0.4583333 0.3635154 0.5937331), wk = 0.0024213 k( 342) = ( 0.4666667 0.3701248 0.5852973), wk = 0.0024213 k( 343) = ( 0.4750000 0.3767342 0.5768615), wk = 0.0024213 k( 344) = ( 0.4833333 0.3833435 0.5684256), wk = 0.0024213 k( 345) = ( 0.4916667 0.3899529 0.5599898), wk = 0.0024213 k( 346) = ( 0.5000000 0.3965623 0.5515540), wk = 0.0024213 k( 347) = ( 0.5000000 0.3965623 0.5515540), wk = 0.0024213 k( 348) = ( 0.5000000 0.3965623 0.5381015), wk = 0.0024213 k( 349) = ( 0.5000000 0.3965623 0.5246489), wk = 0.0024213 k( 350) = ( 0.5000000 0.3965623 0.5111964), wk = 0.0024213 k( 351) = ( 0.5000000 0.3965623 0.4977439), wk = 0.0024213 k( 352) = ( 0.5000000 0.3965623 0.4842913), wk = 0.0024213 k( 353) = ( 0.5000000 0.3965623 0.4708388), wk = 0.0024213 k( 354) = ( 0.5000000 0.3965623 0.4573863), wk = 0.0024213 k( 355) = ( 0.5000000 0.3965623 0.4439337), wk = 0.0024213 k( 356) = ( 0.5000000 0.3965623 0.4304812), wk = 0.0024213 k( 357) = ( 0.5000000 0.3965623 0.4170286), wk = 0.0024213 k( 358) = ( 0.5000000 0.3965623 0.4035761), wk = 0.0024213 k( 359) = ( 0.5000000 0.3965623 0.3901236), wk = 0.0024213 k( 360) = ( 0.5000000 0.3965623 0.3766710), wk = 0.0024213 k( 361) = ( 0.5000000 0.3965623 0.3632185), wk = 0.0024213 k( 362) = ( 0.5000000 0.3965623 0.3497660), wk = 0.0024213 k( 363) = ( 0.5000000 0.3965623 0.3363134), wk = 0.0024213 k( 364) = ( 0.5000000 0.3965623 0.3228609), wk = 0.0024213 k( 365) = ( 0.5000000 0.3965623 0.3094083), wk = 0.0024213 k( 366) = ( 0.5000000 0.3965623 0.2959558), wk = 0.0024213 k( 367) = ( 0.5000000 0.3965623 0.2825033), wk = 0.0024213 k( 368) = ( 0.5000000 0.3965623 0.2690507), wk = 0.0024213 k( 369) = ( 0.5000000 0.3965623 0.2555982), wk = 0.0024213 k( 370) = ( 0.5000000 0.3965623 0.2421457), wk = 0.0024213 k( 371) = ( 0.5000000 0.3965623 0.2286931), wk = 0.0024213 k( 372) = ( 0.5000000 0.3965623 0.2152406), wk = 0.0024213 k( 373) = ( 0.5000000 0.3965623 0.2017881), wk = 0.0024213 k( 374) = ( 0.5000000 0.3965623 0.1883355), wk = 0.0024213 k( 375) = ( 0.5000000 0.3965623 0.1748830), wk = 0.0024213 k( 376) = ( 0.5000000 0.3965623 0.1614304), wk = 0.0024213 k( 377) = ( 0.5000000 0.3965623 0.1479779), wk = 0.0024213 k( 378) = ( 0.5000000 0.3965623 0.1345254), wk = 0.0024213 k( 379) = ( 0.5000000 0.3965623 0.1210728), wk = 0.0024213 k( 380) = ( 0.5000000 0.3965623 0.1076203), wk = 0.0024213 k( 381) = ( 0.5000000 0.3965623 0.0941678), wk = 0.0024213 k( 382) = ( 0.5000000 0.3965623 0.0807152), wk = 0.0024213 k( 383) = ( 0.5000000 0.3965623 0.0672627), wk = 0.0024213 k( 384) = ( 0.5000000 0.3965623 0.0538102), wk = 0.0024213 k( 385) = ( 0.5000000 0.3965623 0.0403576), wk = 0.0024213 k( 386) = ( 0.5000000 0.3965623 0.0269051), wk = 0.0024213 k( 387) = ( 0.5000000 0.3965623 0.0134525), wk = 0.0024213 k( 388) = ( 0.5000000 0.3965623 -0.0000000), wk = 0.0024213 k( 389) = ( 0.0000000 0.0000000 0.8046284), wk = 0.0024213 k( 390) = ( 0.0104167 0.0082617 0.8046284), wk = 0.0024213 k( 391) = ( 0.0208333 0.0165234 0.8046284), wk = 0.0024213 k( 392) = ( 0.0312500 0.0247851 0.8046284), wk = 0.0024213 k( 393) = ( 0.0416667 0.0330469 0.8046284), wk = 0.0024213 k( 394) = ( 0.0520833 0.0413086 0.8046284), wk = 0.0024213 k( 395) = ( 0.0625000 0.0495703 0.8046284), wk = 0.0024213 k( 396) = ( 0.0729167 0.0578320 0.8046284), wk = 0.0024213 k( 397) = ( 0.0833333 0.0660937 0.8046284), wk = 0.0024213 k( 398) = ( 0.0937500 0.0743554 0.8046284), wk = 0.0024213 k( 399) = ( 0.1041667 0.0826171 0.8046284), wk = 0.0024213 k( 400) = ( 0.1145833 0.0908789 0.8046284), wk = 0.0024213 k( 401) = ( 0.1250000 0.0991406 0.8046284), wk = 0.0024213 k( 402) = ( 0.1354167 0.1074023 0.8046284), wk = 0.0024213 k( 403) = ( 0.1458333 0.1156640 0.8046284), wk = 0.0024213 k( 404) = ( 0.1562500 0.1239257 0.8046284), wk = 0.0024213 k( 405) = ( 0.1666667 0.1321874 0.8046284), wk = 0.0024213 k( 406) = ( 0.1770833 0.1404491 0.8046284), wk = 0.0024213 k( 407) = ( 0.1875000 0.1487109 0.8046284), wk = 0.0024213 k( 408) = ( 0.1979167 0.1569726 0.8046284), wk = 0.0024213 k( 409) = ( 0.2083333 0.1652343 0.8046284), wk = 0.0024213 k( 410) = ( 0.2187500 0.1734960 0.8046284), wk = 0.0024213 k( 411) = ( 0.2291667 0.1817577 0.8046284), wk = 0.0024213 k( 412) = ( 0.2395833 0.1900194 0.8046284), wk = 0.0024213 k( 413) = ( 0.2500000 0.1982811 0.8046284), wk = 0.0024213 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 2) = ( 0.0000000 0.0000000 0.0084746), wk = 0.0024213 k( 3) = ( 0.0000000 0.0000000 0.0169491), wk = 0.0024213 k( 4) = ( 0.0000000 0.0000000 0.0254237), wk = 0.0024213 k( 5) = ( 0.0000000 0.0000000 0.0338983), wk = 0.0024213 k( 6) = ( 0.0000000 0.0000000 0.0423729), wk = 0.0024213 k( 7) = ( 0.0000000 0.0000000 0.0508475), wk = 0.0024213 k( 8) = ( 0.0000000 0.0000000 0.0593220), wk = 0.0024213 k( 9) = ( 0.0000000 0.0000000 0.0677966), wk = 0.0024213 k( 10) = ( 0.0000000 0.0000000 0.0762712), wk = 0.0024213 k( 11) = ( 0.0000000 0.0000000 0.0847458), wk = 0.0024213 k( 12) = ( 0.0000000 0.0000000 0.0932203), wk = 0.0024213 k( 13) = ( 0.0000000 0.0000000 0.1016949), wk = 0.0024213 k( 14) = ( 0.0000000 0.0000000 0.1101695), wk = 0.0024213 k( 15) = ( 0.0000000 0.0000000 0.1186441), wk = 0.0024213 k( 16) = ( 0.0000000 0.0000000 0.1271186), wk = 0.0024213 k( 17) = ( 0.0000000 0.0000000 0.1355932), wk = 0.0024213 k( 18) = ( 0.0000000 0.0000000 0.1440678), wk = 0.0024213 k( 19) = ( 0.0000000 0.0000000 0.1525424), wk = 0.0024213 k( 20) = ( 0.0000000 0.0000000 0.1610169), wk = 0.0024213 k( 21) = ( 0.0000000 0.0000000 0.1694915), wk = 0.0024213 k( 22) = ( 0.0000000 0.0000000 0.1779661), wk = 0.0024213 k( 23) = ( 0.0000000 0.0000000 0.1864407), wk = 0.0024213 k( 24) = ( 0.0000000 0.0000000 0.1949153), wk = 0.0024213 k( 25) = ( 0.0000000 0.0000000 0.2033898), wk = 0.0024213 k( 26) = ( 0.0000000 0.0000000 0.2118644), wk = 0.0024213 k( 27) = ( 0.0000000 0.0000000 0.2203390), wk = 0.0024213 k( 28) = ( 0.0000000 0.0000000 0.2288136), wk = 0.0024213 k( 29) = ( 0.0000000 0.0000000 0.2372881), wk = 0.0024213 k( 30) = ( 0.0000000 0.0000000 0.2457627), wk = 0.0024213 k( 31) = ( 0.0000000 0.0000000 0.2542373), wk = 0.0024213 k( 32) = ( 0.0000000 0.0000000 0.2627119), wk = 0.0024213 k( 33) = ( 0.0000000 0.0000000 0.2711864), wk = 0.0024213 k( 34) = ( 0.0000000 0.0000000 0.2796610), wk = 0.0024213 k( 35) = ( 0.0000000 0.0000000 0.2881356), wk = 0.0024213 k( 36) = ( 0.0000000 0.0000000 0.2966102), wk = 0.0024213 k( 37) = ( 0.0000000 0.0000000 0.3050848), wk = 0.0024213 k( 38) = ( 0.0000000 0.0000000 0.3135593), wk = 0.0024213 k( 39) = ( 0.0000000 0.0000000 0.3220339), wk = 0.0024213 k( 40) = ( 0.0000000 0.0000000 0.3305085), wk = 0.0024213 k( 41) = ( 0.0000000 0.0000000 0.3389831), wk = 0.0024213 k( 42) = ( 0.0000000 0.0000000 0.3474576), wk = 0.0024213 k( 43) = ( 0.0000000 0.0000000 0.3559322), wk = 0.0024213 k( 44) = ( 0.0000000 0.0000000 0.3644068), wk = 0.0024213 k( 45) = ( 0.0000000 0.0000000 0.3728814), wk = 0.0024213 k( 46) = ( 0.0000000 0.0000000 0.3813559), wk = 0.0024213 k( 47) = ( 0.0000000 0.0000000 0.3898305), wk = 0.0024213 k( 48) = ( 0.0000000 0.0000000 0.3983051), wk = 0.0024213 k( 49) = ( 0.0000000 0.0000000 0.4067797), wk = 0.0024213 k( 50) = ( 0.0000000 0.0000000 0.4152542), wk = 0.0024213 k( 51) = ( 0.0000000 0.0000000 0.4237288), wk = 0.0024213 k( 52) = ( 0.0000000 0.0000000 0.4322034), wk = 0.0024213 k( 53) = ( 0.0000000 0.0000000 0.4406780), wk = 0.0024213 k( 54) = ( 0.0000000 0.0000000 0.4491525), wk = 0.0024213 k( 55) = ( 0.0000000 0.0000000 0.4576271), wk = 0.0024213 k( 56) = ( 0.0000000 0.0000000 0.4661017), wk = 0.0024213 k( 57) = ( 0.0000000 0.0000000 0.4745763), wk = 0.0024213 k( 58) = ( 0.0000000 0.0000000 0.4830508), wk = 0.0024213 k( 59) = ( 0.0000000 0.0000000 0.4915254), wk = 0.0024213 k( 60) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024213 k( 61) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024213 k( 62) = ( -0.0082769 0.0082769 0.5000000), wk = 0.0024213 k( 63) = ( -0.0165539 0.0165539 0.5000000), wk = 0.0024213 k( 64) = ( -0.0248308 0.0248308 0.5000000), wk = 0.0024213 k( 65) = ( -0.0331077 0.0331077 0.5000000), wk = 0.0024213 k( 66) = ( -0.0413846 0.0413846 0.5000000), wk = 0.0024213 k( 67) = ( -0.0496616 0.0496616 0.5000000), wk = 0.0024213 k( 68) = ( -0.0579385 0.0579385 0.5000000), wk = 0.0024213 k( 69) = ( -0.0662154 0.0662154 0.5000000), wk = 0.0024213 k( 70) = ( -0.0744924 0.0744924 0.5000000), wk = 0.0024213 k( 71) = ( -0.0827693 0.0827693 0.5000000), wk = 0.0024213 k( 72) = ( -0.0910462 0.0910462 0.5000000), wk = 0.0024213 k( 73) = ( -0.0993231 0.0993232 0.5000000), wk = 0.0024213 k( 74) = ( -0.1076001 0.1076001 0.5000000), wk = 0.0024213 k( 75) = ( -0.1158770 0.1158770 0.5000000), wk = 0.0024213 k( 76) = ( -0.1241539 0.1241539 0.5000000), wk = 0.0024213 k( 77) = ( -0.1324309 0.1324309 0.5000000), wk = 0.0024213 k( 78) = ( -0.1407078 0.1407078 0.5000000), wk = 0.0024213 k( 79) = ( -0.1489847 0.1489847 0.5000000), wk = 0.0024213 k( 80) = ( -0.1572617 0.1572617 0.5000000), wk = 0.0024213 k( 81) = ( -0.1572617 0.1572617 0.5000000), wk = 0.0024213 k( 82) = ( -0.1631709 0.1631709 0.4940907), wk = 0.0024213 k( 83) = ( -0.1690802 0.1690802 0.4881814), wk = 0.0024213 k( 84) = ( -0.1749895 0.1749895 0.4822722), wk = 0.0024213 k( 85) = ( -0.1808988 0.1808988 0.4763629), wk = 0.0024213 k( 86) = ( -0.1868081 0.1868081 0.4704536), wk = 0.0024213 k( 87) = ( -0.1927173 0.1927173 0.4645443), wk = 0.0024213 k( 88) = ( -0.1986266 0.1986266 0.4586350), wk = 0.0024213 k( 89) = ( -0.2045359 0.2045359 0.4527257), wk = 0.0024213 k( 90) = ( -0.2104452 0.2104452 0.4468165), wk = 0.0024213 k( 91) = ( -0.2163545 0.2163545 0.4409072), wk = 0.0024213 k( 92) = ( -0.2222638 0.2222638 0.4349979), wk = 0.0024213 k( 93) = ( -0.2281730 0.2281730 0.4290886), wk = 0.0024213 k( 94) = ( -0.2340823 0.2340823 0.4231793), wk = 0.0024213 k( 95) = ( -0.2399916 0.2399916 0.4172700), wk = 0.0024213 k( 96) = ( -0.2459009 0.2459009 0.4113608), wk = 0.0024213 k( 97) = ( -0.2518102 0.2518102 0.4054515), wk = 0.0024213 k( 98) = ( -0.2577194 0.2577194 0.3995422), wk = 0.0024213 k( 99) = ( -0.2636287 0.2636287 0.3936329), wk = 0.0024213 k( 100) = ( -0.2695380 0.2695380 0.3877236), wk = 0.0024213 k( 101) = ( -0.2754473 0.2754473 0.3818144), wk = 0.0024213 k( 102) = ( -0.2813566 0.2813566 0.3759051), wk = 0.0024213 k( 103) = ( -0.2872658 0.2872659 0.3699958), wk = 0.0024213 k( 104) = ( -0.2931751 0.2931751 0.3640865), wk = 0.0024213 k( 105) = ( -0.2990844 0.2990844 0.3581772), wk = 0.0024213 k( 106) = ( -0.3049937 0.3049937 0.3522679), wk = 0.0024213 k( 107) = ( -0.3109030 0.3109030 0.3463587), wk = 0.0024213 k( 108) = ( -0.3168123 0.3168123 0.3404494), wk = 0.0024213 k( 109) = ( -0.3227215 0.3227215 0.3345401), wk = 0.0024213 k( 110) = ( -0.3286308 0.3286308 0.3286308), wk = 0.0024213 k( 111) = ( -0.3286308 0.3286308 0.3286308), wk = 0.0024213 k( 112) = ( -0.3226557 0.3226557 0.3226557), wk = 0.0024213 k( 113) = ( -0.3166806 0.3166806 0.3166806), wk = 0.0024213 k( 114) = ( -0.3107055 0.3107055 0.3107055), wk = 0.0024213 k( 115) = ( -0.3047304 0.3047304 0.3047304), wk = 0.0024213 k( 116) = ( -0.2987553 0.2987553 0.2987553), wk = 0.0024213 k( 117) = ( -0.2927802 0.2927802 0.2927802), wk = 0.0024213 k( 118) = ( -0.2868051 0.2868051 0.2868051), wk = 0.0024213 k( 119) = ( -0.2808300 0.2808300 0.2808300), wk = 0.0024213 k( 120) = ( -0.2748549 0.2748549 0.2748549), wk = 0.0024213 k( 121) = ( -0.2688798 0.2688798 0.2688798), wk = 0.0024213 k( 122) = ( -0.2629047 0.2629047 0.2629047), wk = 0.0024213 k( 123) = ( -0.2569296 0.2569296 0.2569296), wk = 0.0024213 k( 124) = ( -0.2509544 0.2509545 0.2509544), wk = 0.0024213 k( 125) = ( -0.2449793 0.2449793 0.2449793), wk = 0.0024213 k( 126) = ( -0.2390042 0.2390042 0.2390042), wk = 0.0024213 k( 127) = ( -0.2330291 0.2330291 0.2330291), wk = 0.0024213 k( 128) = ( -0.2270540 0.2270540 0.2270540), wk = 0.0024213 k( 129) = ( -0.2210789 0.2210789 0.2210789), wk = 0.0024213 k( 130) = ( -0.2151038 0.2151038 0.2151038), wk = 0.0024213 k( 131) = ( -0.2091287 0.2091287 0.2091287), wk = 0.0024213 k( 132) = ( -0.2031536 0.2031536 0.2031536), wk = 0.0024213 k( 133) = ( -0.1971785 0.1971785 0.1971785), wk = 0.0024213 k( 134) = ( -0.1912034 0.1912034 0.1912034), wk = 0.0024213 k( 135) = ( -0.1852283 0.1852283 0.1852283), wk = 0.0024213 k( 136) = ( -0.1792532 0.1792532 0.1792532), wk = 0.0024213 k( 137) = ( -0.1732781 0.1732781 0.1732781), wk = 0.0024213 k( 138) = ( -0.1673030 0.1673030 0.1673030), wk = 0.0024213 k( 139) = ( -0.1613279 0.1613279 0.1613279), wk = 0.0024213 k( 140) = ( -0.1553528 0.1553528 0.1553528), wk = 0.0024213 k( 141) = ( -0.1493777 0.1493777 0.1493777), wk = 0.0024213 k( 142) = ( -0.1434025 0.1434025 0.1434025), wk = 0.0024213 k( 143) = ( -0.1374274 0.1374274 0.1374274), wk = 0.0024213 k( 144) = ( -0.1314523 0.1314523 0.1314523), wk = 0.0024213 k( 145) = ( -0.1254772 0.1254772 0.1254772), wk = 0.0024213 k( 146) = ( -0.1195021 0.1195021 0.1195021), wk = 0.0024213 k( 147) = ( -0.1135270 0.1135270 0.1135270), wk = 0.0024213 k( 148) = ( -0.1075519 0.1075519 0.1075519), wk = 0.0024213 k( 149) = ( -0.1015768 0.1015768 0.1015768), wk = 0.0024213 k( 150) = ( -0.0956017 0.0956017 0.0956017), wk = 0.0024213 k( 151) = ( -0.0896266 0.0896266 0.0896266), wk = 0.0024213 k( 152) = ( -0.0836515 0.0836515 0.0836515), wk = 0.0024213 k( 153) = ( -0.0776764 0.0776764 0.0776764), wk = 0.0024213 k( 154) = ( -0.0717013 0.0717013 0.0717013), wk = 0.0024213 k( 155) = ( -0.0657262 0.0657262 0.0657262), wk = 0.0024213 k( 156) = ( -0.0597511 0.0597511 0.0597511), wk = 0.0024213 k( 157) = ( -0.0537760 0.0537760 0.0537760), wk = 0.0024213 k( 158) = ( -0.0478008 0.0478009 0.0478008), wk = 0.0024213 k( 159) = ( -0.0418257 0.0418257 0.0418257), wk = 0.0024213 k( 160) = ( -0.0358506 0.0358506 0.0358506), wk = 0.0024213 k( 161) = ( -0.0298755 0.0298755 0.0298755), wk = 0.0024213 k( 162) = ( -0.0239004 0.0239004 0.0239004), wk = 0.0024213 k( 163) = ( -0.0179253 0.0179253 0.0179253), wk = 0.0024213 k( 164) = ( -0.0119502 0.0119502 0.0119502), wk = 0.0024213 k( 165) = ( -0.0059751 0.0059751 0.0059751), wk = 0.0024213 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 168) = ( 0.0106383 0.0106383 -0.0106383), wk = 0.0024213 k( 169) = ( 0.0212766 0.0212766 -0.0212766), wk = 0.0024213 k( 170) = ( 0.0319149 0.0319149 -0.0319149), wk = 0.0024213 k( 171) = ( 0.0425532 0.0425532 -0.0425532), wk = 0.0024213 k( 172) = ( 0.0531915 0.0531915 -0.0531915), wk = 0.0024213 k( 173) = ( 0.0638298 0.0638298 -0.0638298), wk = 0.0024213 k( 174) = ( 0.0744681 0.0744681 -0.0744681), wk = 0.0024213 k( 175) = ( 0.0851064 0.0851064 -0.0851064), wk = 0.0024213 k( 176) = ( 0.0957447 0.0957447 -0.0957447), wk = 0.0024213 k( 177) = ( 0.1063830 0.1063830 -0.1063830), wk = 0.0024213 k( 178) = ( 0.1170213 0.1170213 -0.1170213), wk = 0.0024213 k( 179) = ( 0.1276596 0.1276596 -0.1276596), wk = 0.0024213 k( 180) = ( 0.1382979 0.1382979 -0.1382979), wk = 0.0024213 k( 181) = ( 0.1489362 0.1489362 -0.1489362), wk = 0.0024213 k( 182) = ( 0.1595745 0.1595745 -0.1595745), wk = 0.0024213 k( 183) = ( 0.1702128 0.1702128 -0.1702128), wk = 0.0024213 k( 184) = ( 0.1808511 0.1808511 -0.1808511), wk = 0.0024213 k( 185) = ( 0.1914894 0.1914894 -0.1914894), wk = 0.0024213 k( 186) = ( 0.2021277 0.2021277 -0.2021277), wk = 0.0024213 k( 187) = ( 0.2127660 0.2127660 -0.2127660), wk = 0.0024213 k( 188) = ( 0.2234043 0.2234043 -0.2234043), wk = 0.0024213 k( 189) = ( 0.2340425 0.2340426 -0.2340425), wk = 0.0024213 k( 190) = ( 0.2446809 0.2446809 -0.2446809), wk = 0.0024213 k( 191) = ( 0.2553191 0.2553192 -0.2553191), wk = 0.0024213 k( 192) = ( 0.2659574 0.2659575 -0.2659574), wk = 0.0024213 k( 193) = ( 0.2765957 0.2765957 -0.2765957), wk = 0.0024213 k( 194) = ( 0.2872340 0.2872340 -0.2872340), wk = 0.0024213 k( 195) = ( 0.2978723 0.2978723 -0.2978723), wk = 0.0024213 k( 196) = ( 0.3085106 0.3085106 -0.3085106), wk = 0.0024213 k( 197) = ( 0.3191489 0.3191489 -0.3191489), wk = 0.0024213 k( 198) = ( 0.3297872 0.3297872 -0.3297872), wk = 0.0024213 k( 199) = ( 0.3404255 0.3404255 -0.3404255), wk = 0.0024213 k( 200) = ( 0.3510638 0.3510638 -0.3510638), wk = 0.0024213 k( 201) = ( 0.3617021 0.3617021 -0.3617021), wk = 0.0024213 k( 202) = ( 0.3723404 0.3723404 -0.3723404), wk = 0.0024213 k( 203) = ( 0.3829787 0.3829787 -0.3829787), wk = 0.0024213 k( 204) = ( 0.3936170 0.3936170 -0.3936170), wk = 0.0024213 k( 205) = ( 0.4042553 0.4042553 -0.4042553), wk = 0.0024213 k( 206) = ( 0.4148936 0.4148936 -0.4148936), wk = 0.0024213 k( 207) = ( 0.4255319 0.4255319 -0.4255319), wk = 0.0024213 k( 208) = ( 0.4361702 0.4361702 -0.4361702), wk = 0.0024213 k( 209) = ( 0.4468085 0.4468085 -0.4468085), wk = 0.0024213 k( 210) = ( 0.4574468 0.4574468 -0.4574468), wk = 0.0024213 k( 211) = ( 0.4680851 0.4680851 -0.4680851), wk = 0.0024213 k( 212) = ( 0.4787234 0.4787234 -0.4787234), wk = 0.0024213 k( 213) = ( 0.4893617 0.4893617 -0.4893617), wk = 0.0024213 k( 214) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024213 k( 215) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024213 k( 216) = ( 0.4940907 0.5059093 -0.4940907), wk = 0.0024213 k( 217) = ( 0.4881814 0.5118186 -0.4881814), wk = 0.0024213 k( 218) = ( 0.4822722 0.5177279 -0.4822721), wk = 0.0024213 k( 219) = ( 0.4763629 0.5236371 -0.4763629), wk = 0.0024213 k( 220) = ( 0.4704536 0.5295464 -0.4704536), wk = 0.0024213 k( 221) = ( 0.4645443 0.5354557 -0.4645443), wk = 0.0024213 k( 222) = ( 0.4586350 0.5413650 -0.4586350), wk = 0.0024213 k( 223) = ( 0.4527257 0.5472743 -0.4527257), wk = 0.0024213 k( 224) = ( 0.4468165 0.5531835 -0.4468165), wk = 0.0024213 k( 225) = ( 0.4409072 0.5590928 -0.4409072), wk = 0.0024213 k( 226) = ( 0.4349979 0.5650021 -0.4349979), wk = 0.0024213 k( 227) = ( 0.4290886 0.5709114 -0.4290886), wk = 0.0024213 k( 228) = ( 0.4231793 0.5768207 -0.4231793), wk = 0.0024213 k( 229) = ( 0.4172701 0.5827300 -0.4172701), wk = 0.0024213 k( 230) = ( 0.4113608 0.5886392 -0.4113608), wk = 0.0024213 k( 231) = ( 0.4054515 0.5945485 -0.4054515), wk = 0.0024213 k( 232) = ( 0.3995422 0.6004578 -0.3995422), wk = 0.0024213 k( 233) = ( 0.3936329 0.6063671 -0.3936329), wk = 0.0024213 k( 234) = ( 0.3877236 0.6122764 -0.3877236), wk = 0.0024213 k( 235) = ( 0.3818144 0.6181856 -0.3818144), wk = 0.0024213 k( 236) = ( 0.3759051 0.6240949 -0.3759051), wk = 0.0024213 k( 237) = ( 0.3699958 0.6300042 -0.3699958), wk = 0.0024213 k( 238) = ( 0.3640865 0.6359135 -0.3640865), wk = 0.0024213 k( 239) = ( 0.3581772 0.6418228 -0.3581772), wk = 0.0024213 k( 240) = ( 0.3522679 0.6477321 -0.3522679), wk = 0.0024213 k( 241) = ( 0.3463587 0.6536413 -0.3463587), wk = 0.0024213 k( 242) = ( 0.3404494 0.6595506 -0.3404494), wk = 0.0024213 k( 243) = ( 0.3345401 0.6654599 -0.3345401), wk = 0.0024213 k( 244) = ( 0.3286308 0.6713692 -0.3286308), wk = 0.0024213 k( 245) = ( 0.3286308 0.6713692 -0.3286308), wk = 0.0024213 k( 246) = ( 0.3164593 0.6650222 -0.3164593), wk = 0.0024213 k( 247) = ( 0.3042878 0.6586752 -0.3042878), wk = 0.0024213 k( 248) = ( 0.2921163 0.6523282 -0.2921163), wk = 0.0024213 k( 249) = ( 0.2799448 0.6459812 -0.2799448), wk = 0.0024213 k( 250) = ( 0.2677733 0.6396341 -0.2677733), wk = 0.0024213 k( 251) = ( 0.2556018 0.6332871 -0.2556017), wk = 0.0024213 k( 252) = ( 0.2434302 0.6269401 -0.2434302), wk = 0.0024213 k( 253) = ( 0.2312587 0.6205931 -0.2312587), wk = 0.0024213 k( 254) = ( 0.2190872 0.6142461 -0.2190872), wk = 0.0024213 k( 255) = ( 0.2069157 0.6078991 -0.2069157), wk = 0.0024213 k( 256) = ( 0.1947442 0.6015521 -0.1947442), wk = 0.0024213 k( 257) = ( 0.1825727 0.5952051 -0.1825727), wk = 0.0024213 k( 258) = ( 0.1704012 0.5888581 -0.1704012), wk = 0.0024213 k( 259) = ( 0.1582297 0.5825111 -0.1582297), wk = 0.0024213 k( 260) = ( 0.1460581 0.5761641 -0.1460581), wk = 0.0024213 k( 261) = ( 0.1338866 0.5698171 -0.1338866), wk = 0.0024213 k( 262) = ( 0.1217151 0.5634701 -0.1217151), wk = 0.0024213 k( 263) = ( 0.1095436 0.5571231 -0.1095436), wk = 0.0024213 k( 264) = ( 0.0973721 0.5507761 -0.0973721), wk = 0.0024213 k( 265) = ( 0.0852006 0.5444291 -0.0852006), wk = 0.0024213 k( 266) = ( 0.0730291 0.5380820 -0.0730291), wk = 0.0024213 k( 267) = ( 0.0608576 0.5317350 -0.0608576), wk = 0.0024213 k( 268) = ( 0.0486861 0.5253880 -0.0486860), wk = 0.0024213 k( 269) = ( 0.0365145 0.5190410 -0.0365145), wk = 0.0024213 k( 270) = ( 0.0243430 0.5126940 -0.0243430), wk = 0.0024213 k( 271) = ( 0.0121715 0.5063470 -0.0121715), wk = 0.0024213 k( 272) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024213 k( 273) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024213 k( 274) = ( 0.0059524 0.4940476 0.0059524), wk = 0.0024213 k( 275) = ( 0.0119048 0.4880952 0.0119048), wk = 0.0024213 k( 276) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0024213 k( 277) = ( 0.0238095 0.4761905 0.0238095), wk = 0.0024213 k( 278) = ( 0.0297619 0.4702381 0.0297619), wk = 0.0024213 k( 279) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0024213 k( 280) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0024213 k( 281) = ( 0.0476191 0.4523810 0.0476191), wk = 0.0024213 k( 282) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0024213 k( 283) = ( 0.0595238 0.4404762 0.0595238), wk = 0.0024213 k( 284) = ( 0.0654762 0.4345238 0.0654762), wk = 0.0024213 k( 285) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0024213 k( 286) = ( 0.0773810 0.4226190 0.0773810), wk = 0.0024213 k( 287) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0024213 k( 288) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0024213 k( 289) = ( 0.0952381 0.4047619 0.0952381), wk = 0.0024213 k( 290) = ( 0.1011905 0.3988095 0.1011905), wk = 0.0024213 k( 291) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0024213 k( 292) = ( 0.1130952 0.3869048 0.1130952), wk = 0.0024213 k( 293) = ( 0.1190476 0.3809524 0.1190476), wk = 0.0024213 k( 294) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024213 k( 295) = ( 0.1309524 0.3690476 0.1309524), wk = 0.0024213 k( 296) = ( 0.1369048 0.3630952 0.1369048), wk = 0.0024213 k( 297) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0024213 k( 298) = ( 0.1488095 0.3511905 0.1488095), wk = 0.0024213 k( 299) = ( 0.1547619 0.3452381 0.1547619), wk = 0.0024213 k( 300) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0024213 k( 301) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0024213 k( 302) = ( 0.1726190 0.3273810 0.1726190), wk = 0.0024213 k( 303) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0024213 k( 304) = ( 0.1845238 0.3154762 0.1845238), wk = 0.0024213 k( 305) = ( 0.1904762 0.3095238 0.1904762), wk = 0.0024213 k( 306) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0024213 k( 307) = ( 0.2023810 0.2976191 0.2023810), wk = 0.0024213 k( 308) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0024213 k( 309) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0024213 k( 310) = ( 0.2202381 0.2797619 0.2202381), wk = 0.0024213 k( 311) = ( 0.2261905 0.2738095 0.2261905), wk = 0.0024213 k( 312) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0024213 k( 313) = ( 0.2380952 0.2619048 0.2380952), wk = 0.0024213 k( 314) = ( 0.2440476 0.2559524 0.2440476), wk = 0.0024213 k( 315) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024213 k( 316) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024213 k( 317) = ( 0.2583333 0.2583333 0.2364246), wk = 0.0024213 k( 318) = ( 0.2666667 0.2666667 0.2228492), wk = 0.0024213 k( 319) = ( 0.2750000 0.2750000 0.2092738), wk = 0.0024213 k( 320) = ( 0.2833333 0.2833333 0.1956985), wk = 0.0024213 k( 321) = ( 0.2916667 0.2916667 0.1821231), wk = 0.0024213 k( 322) = ( 0.3000000 0.3000000 0.1685477), wk = 0.0024213 k( 323) = ( 0.3083333 0.3083333 0.1549723), wk = 0.0024213 k( 324) = ( 0.3166667 0.3166667 0.1413969), wk = 0.0024213 k( 325) = ( 0.3250000 0.3250000 0.1278215), wk = 0.0024213 k( 326) = ( 0.3333333 0.3333333 0.1142461), wk = 0.0024213 k( 327) = ( 0.3416667 0.3416667 0.1006707), wk = 0.0024213 k( 328) = ( 0.3500000 0.3500000 0.0870953), wk = 0.0024213 k( 329) = ( 0.3583333 0.3583333 0.0735199), wk = 0.0024213 k( 330) = ( 0.3666667 0.3666667 0.0599446), wk = 0.0024213 k( 331) = ( 0.3750000 0.3750000 0.0463692), wk = 0.0024213 k( 332) = ( 0.3833333 0.3833333 0.0327938), wk = 0.0024213 k( 333) = ( 0.3916667 0.3916667 0.0192184), wk = 0.0024213 k( 334) = ( 0.4000000 0.4000000 0.0056430), wk = 0.0024213 k( 335) = ( 0.4083333 0.4083333 -0.0079324), wk = 0.0024213 k( 336) = ( 0.4166667 0.4166667 -0.0215078), wk = 0.0024213 k( 337) = ( 0.4250000 0.4250000 -0.0350831), wk = 0.0024213 k( 338) = ( 0.4333333 0.4333333 -0.0486585), wk = 0.0024213 k( 339) = ( 0.4416667 0.4416667 -0.0622339), wk = 0.0024213 k( 340) = ( 0.4500000 0.4500000 -0.0758093), wk = 0.0024213 k( 341) = ( 0.4583333 0.4583333 -0.0893847), wk = 0.0024213 k( 342) = ( 0.4666667 0.4666667 -0.1029601), wk = 0.0024213 k( 343) = ( 0.4750000 0.4750000 -0.1165355), wk = 0.0024213 k( 344) = ( 0.4833333 0.4833333 -0.1301109), wk = 0.0024213 k( 345) = ( 0.4916667 0.4916667 -0.1436863), wk = 0.0024213 k( 346) = ( 0.5000000 0.5000000 -0.1572616), wk = 0.0024213 k( 347) = ( 0.5000000 0.5000000 -0.1572616), wk = 0.0024213 k( 348) = ( 0.5000000 0.5000000 -0.1656211), wk = 0.0024213 k( 349) = ( 0.5000000 0.5000000 -0.1739806), wk = 0.0024213 k( 350) = ( 0.5000000 0.5000000 -0.1823401), wk = 0.0024213 k( 351) = ( 0.5000000 0.5000000 -0.1906995), wk = 0.0024213 k( 352) = ( 0.5000000 0.5000000 -0.1990590), wk = 0.0024213 k( 353) = ( 0.5000000 0.5000000 -0.2074185), wk = 0.0024213 k( 354) = ( 0.5000000 0.5000000 -0.2157779), wk = 0.0024213 k( 355) = ( 0.5000000 0.5000000 -0.2241374), wk = 0.0024213 k( 356) = ( 0.5000000 0.5000000 -0.2324969), wk = 0.0024213 k( 357) = ( 0.5000000 0.5000000 -0.2408564), wk = 0.0024213 k( 358) = ( 0.5000000 0.5000000 -0.2492158), wk = 0.0024213 k( 359) = ( 0.5000000 0.5000000 -0.2575753), wk = 0.0024213 k( 360) = ( 0.5000000 0.5000000 -0.2659348), wk = 0.0024213 k( 361) = ( 0.5000000 0.5000000 -0.2742943), wk = 0.0024213 k( 362) = ( 0.5000000 0.5000000 -0.2826537), wk = 0.0024213 k( 363) = ( 0.5000000 0.5000000 -0.2910132), wk = 0.0024213 k( 364) = ( 0.5000000 0.5000000 -0.2993727), wk = 0.0024213 k( 365) = ( 0.5000000 0.5000000 -0.3077321), wk = 0.0024213 k( 366) = ( 0.5000000 0.5000000 -0.3160916), wk = 0.0024213 k( 367) = ( 0.5000000 0.5000000 -0.3244511), wk = 0.0024213 k( 368) = ( 0.5000000 0.5000000 -0.3328106), wk = 0.0024213 k( 369) = ( 0.5000000 0.5000000 -0.3411700), wk = 0.0024213 k( 370) = ( 0.5000000 0.5000000 -0.3495295), wk = 0.0024213 k( 371) = ( 0.5000000 0.5000000 -0.3578890), wk = 0.0024213 k( 372) = ( 0.5000000 0.5000000 -0.3662484), wk = 0.0024213 k( 373) = ( 0.5000000 0.5000000 -0.3746079), wk = 0.0024213 k( 374) = ( 0.5000000 0.5000000 -0.3829674), wk = 0.0024213 k( 375) = ( 0.5000000 0.5000000 -0.3913269), wk = 0.0024213 k( 376) = ( 0.5000000 0.5000000 -0.3996863), wk = 0.0024213 k( 377) = ( 0.5000000 0.5000000 -0.4080458), wk = 0.0024213 k( 378) = ( 0.5000000 0.5000000 -0.4164053), wk = 0.0024213 k( 379) = ( 0.5000000 0.5000000 -0.4247647), wk = 0.0024213 k( 380) = ( 0.5000000 0.5000000 -0.4331242), wk = 0.0024213 k( 381) = ( 0.5000000 0.5000000 -0.4414837), wk = 0.0024213 k( 382) = ( 0.5000000 0.5000000 -0.4498432), wk = 0.0024213 k( 383) = ( 0.5000000 0.5000000 -0.4582026), wk = 0.0024213 k( 384) = ( 0.5000000 0.5000000 -0.4665621), wk = 0.0024213 k( 385) = ( 0.5000000 0.5000000 -0.4749216), wk = 0.0024213 k( 386) = ( 0.5000000 0.5000000 -0.4832811), wk = 0.0024213 k( 387) = ( 0.5000000 0.5000000 -0.4916405), wk = 0.0024213 k( 388) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024213 k( 389) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024213 k( 390) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0024213 k( 391) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0024213 k( 392) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0024213 k( 393) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0024213 k( 394) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0024213 k( 395) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0024213 k( 396) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0024213 k( 397) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0024213 k( 398) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0024213 k( 399) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0024213 k( 400) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0024213 k( 401) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024213 k( 402) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0024213 k( 403) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0024213 k( 404) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0024213 k( 405) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0024213 k( 406) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0024213 k( 407) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0024213 k( 408) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0024213 k( 409) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0024213 k( 410) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0024213 k( 411) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0024213 k( 412) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0024213 k( 413) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024213 Dense grid: 32541 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 14379 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 100, 30) NL pseudopotentials 0.05 Mb ( 50, 63) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 904) G-vector shells 0.00 Mb ( 405) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 100, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 63, 2, 30) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./BaO2.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.3 secs Computing kpt #: 7 total cpu time spent up to now is 3.4 secs Computing kpt #: 8 total cpu time spent up to now is 3.6 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.0 secs Computing kpt #: 12 total cpu time spent up to now is 4.2 secs Computing kpt #: 13 total cpu time spent up to now is 4.3 secs Computing kpt #: 14 total cpu time spent up to now is 4.5 secs Computing kpt #: 15 total cpu time spent up to now is 4.8 secs Computing kpt #: 16 total cpu time spent up to now is 5.0 secs Computing kpt #: 17 total cpu time spent up to now is 5.1 secs Computing kpt #: 18 total cpu time spent up to now is 5.3 secs Computing kpt #: 19 total cpu time spent up to now is 5.4 secs Computing kpt #: 20 total cpu time spent up to now is 5.6 secs Computing kpt #: 21 total cpu time spent up to now is 5.7 secs Computing kpt #: 22 total cpu time spent up to now is 5.9 secs Computing kpt #: 23 total cpu time spent up to now is 6.0 secs Computing kpt #: 24 total cpu time spent up to now is 6.1 secs Computing kpt #: 25 total cpu time spent up to now is 6.3 secs Computing kpt #: 26 total cpu time spent up to now is 6.4 secs Computing kpt #: 27 total cpu time spent up to now is 6.6 secs Computing kpt #: 28 total cpu time spent up to now is 6.7 secs Computing kpt #: 29 total cpu time spent up to now is 6.9 secs Computing kpt #: 30 total cpu time spent up to now is 7.0 secs Computing kpt #: 31 total cpu time spent up to now is 7.2 secs Computing kpt #: 32 total cpu time spent up to now is 7.3 secs Computing kpt #: 33 total cpu time spent up to now is 7.4 secs Computing kpt #: 34 total cpu time spent up to now is 7.6 secs Computing kpt #: 35 total cpu time spent up to now is 7.7 secs Computing kpt #: 36 total cpu time spent up to now is 7.9 secs Computing kpt #: 37 total cpu time spent up to now is 8.0 secs Computing kpt #: 38 total cpu time spent up to now is 8.2 secs Computing kpt #: 39 total cpu time spent up to now is 8.4 secs Computing kpt #: 40 total cpu time spent up to now is 8.6 secs Computing kpt #: 41 total cpu time spent up to now is 8.7 secs Computing kpt #: 42 total cpu time spent up to now is 8.9 secs Computing kpt #: 43 total cpu time spent up to now is 9.0 secs Computing kpt #: 44 total cpu time spent up to now is 9.2 secs Computing kpt #: 45 total cpu time spent up to now is 9.3 secs Computing kpt #: 46 total cpu time spent up to now is 9.5 secs Computing kpt #: 47 total cpu time spent up to now is 9.6 secs Computing kpt #: 48 total cpu time spent up to now is 9.8 secs Computing kpt #: 49 total cpu time spent up to now is 9.9 secs Computing kpt #: 50 total cpu time spent up to now is 10.1 secs Computing kpt #: 51 total cpu time spent up to now is 10.2 secs Computing kpt #: 52 total cpu time spent up to now is 10.4 secs Computing kpt #: 53 total cpu time spent up to now is 10.5 secs Computing kpt #: 54 total cpu time spent up to now is 10.7 secs Computing kpt #: 55 total cpu time spent up to now is 10.8 secs Computing kpt #: 56 total cpu time spent up to now is 11.0 secs Computing kpt #: 57 total cpu time spent up to now is 11.1 secs Computing kpt #: 58 total cpu time spent up to now is 11.3 secs Computing kpt #: 59 total cpu time spent up to now is 11.4 secs Computing kpt #: 60 total cpu time spent up to now is 11.6 secs Computing kpt #: 61 total cpu time spent up to now is 11.7 secs Computing kpt #: 62 total cpu time spent up to now is 11.8 secs Computing kpt #: 63 total cpu time spent up to now is 12.0 secs Computing kpt #: 64 total cpu time spent up to now is 12.1 secs Computing kpt #: 65 total cpu time spent up to now is 12.3 secs Computing kpt #: 66 total cpu time spent up to now is 12.4 secs Computing kpt #: 67 total cpu time spent up to now is 12.6 secs Computing kpt #: 68 total cpu time spent up to now is 12.7 secs Computing kpt #: 69 total cpu time spent up to now is 12.9 secs Computing kpt #: 70 total cpu time spent up to now is 13.0 secs Computing kpt #: 71 total cpu time spent up to now is 13.2 secs Computing kpt #: 72 total cpu time spent up to now is 13.4 secs Computing kpt #: 73 total cpu time spent up to now is 13.5 secs Computing kpt #: 74 total cpu time spent up to now is 13.7 secs Computing kpt #: 75 total cpu time spent up to now is 13.9 secs Computing kpt #: 76 total cpu time spent up to now is 14.0 secs Computing kpt #: 77 total cpu time spent up to now is 14.2 secs Computing kpt #: 78 total cpu time spent up to now is 14.3 secs Computing kpt #: 79 total cpu time spent up to now is 14.5 secs Computing kpt #: 80 total cpu time spent up to now is 14.6 secs Computing kpt #: 81 total cpu time spent up to now is 15.0 secs Computing kpt #: 82 total cpu time spent up to now is 15.1 secs Computing kpt #: 83 total cpu time spent up to now is 15.3 secs Computing kpt #: 84 total cpu time spent up to now is 15.4 secs Computing kpt #: 85 total cpu time spent up to now is 15.6 secs Computing kpt #: 86 total cpu time spent up to now is 15.7 secs Computing kpt #: 87 total cpu time spent up to now is 15.9 secs Computing kpt #: 88 total cpu time spent up to now is 16.1 secs Computing kpt #: 89 total cpu time spent up to now is 16.2 secs Computing kpt #: 90 total cpu time spent up to now is 16.4 secs Computing kpt #: 91 total cpu time spent up to now is 16.5 secs Computing kpt #: 92 total cpu time spent up to now is 16.7 secs Computing kpt #: 93 total cpu time spent up to now is 16.8 secs Computing kpt #: 94 total cpu time spent up to now is 17.0 secs Computing kpt #: 95 total cpu time spent up to now is 17.1 secs Computing kpt #: 96 total cpu time spent up to now is 17.3 secs Computing kpt #: 97 total cpu time spent up to now is 17.4 secs Computing kpt #: 98 total cpu time spent up to now is 17.6 secs Computing kpt #: 99 total cpu time spent up to now is 17.8 secs Computing kpt #: 100 total cpu time spent up to now is 17.9 secs Computing kpt #: 101 total cpu time spent up to now is 18.1 secs Computing kpt #: 102 total cpu time spent up to now is 18.2 secs Computing kpt #: 103 total cpu time spent up to now is 18.4 secs Computing kpt #: 104 total cpu time spent up to now is 18.6 secs Computing kpt #: 105 total cpu time spent up to now is 18.7 secs Computing kpt #: 106 total cpu time spent up to now is 18.9 secs Computing kpt #: 107 total cpu time spent up to now is 19.1 secs Computing kpt #: 108 total cpu time spent up to now is 19.2 secs Computing kpt #: 109 total cpu time spent up to now is 19.4 secs Computing kpt #: 110 total cpu time spent up to now is 19.6 secs Computing kpt #: 111 total cpu time spent up to now is 19.7 secs Computing kpt #: 112 total cpu time spent up to now is 19.9 secs Computing kpt #: 113 total cpu time spent up to now is 20.1 secs Computing kpt #: 114 total cpu time spent up to now is 20.2 secs Computing kpt #: 115 total cpu time spent up to now is 20.4 secs Computing kpt #: 116 total cpu time spent up to now is 20.6 secs Computing kpt #: 117 total cpu time spent up to now is 20.7 secs Computing kpt #: 118 total cpu time spent up to now is 20.9 secs Computing kpt #: 119 total cpu time spent up to now is 21.0 secs Computing kpt #: 120 total cpu time spent up to now is 21.2 secs Computing kpt #: 121 total cpu time spent up to now is 21.4 secs Computing kpt #: 122 total cpu time spent up to now is 21.5 secs Computing kpt #: 123 total cpu time spent up to now is 21.7 secs Computing kpt #: 124 total cpu time spent up to now is 21.8 secs Computing kpt #: 125 total cpu time spent up to now is 22.0 secs Computing kpt #: 126 total cpu time spent up to now is 22.2 secs Computing kpt #: 127 total cpu time spent up to now is 22.3 secs Computing kpt #: 128 total cpu time spent up to now is 22.5 secs Computing kpt #: 129 total cpu time spent up to now is 22.6 secs Computing kpt #: 130 total cpu time spent up to now is 22.8 secs Computing kpt #: 131 total cpu time spent up to now is 23.0 secs Computing kpt #: 132 total cpu time spent up to now is 23.1 secs Computing kpt #: 133 total cpu time spent up to now is 23.3 secs Computing kpt #: 134 total cpu time spent up to now is 23.4 secs Computing kpt #: 135 total cpu time spent up to now is 23.6 secs Computing kpt #: 136 total cpu time spent up to now is 23.7 secs Computing kpt #: 137 total cpu time spent up to now is 23.9 secs Computing kpt #: 138 total cpu time spent up to now is 24.0 secs Computing kpt #: 139 total cpu time spent up to now is 24.2 secs Computing kpt #: 140 total cpu time spent up to now is 24.3 secs Computing kpt #: 141 total cpu time spent up to now is 24.5 secs Computing kpt #: 142 total cpu time spent up to now is 24.6 secs Computing kpt #: 143 total cpu time spent up to now is 24.7 secs Computing kpt #: 144 total cpu time spent up to now is 24.9 secs Computing kpt #: 145 total cpu time spent up to now is 25.0 secs Computing kpt #: 146 total cpu time spent up to now is 25.2 secs Computing kpt #: 147 total cpu time spent up to now is 25.3 secs Computing kpt #: 148 total cpu time spent up to now is 25.4 secs Computing kpt #: 149 total cpu time spent up to now is 25.6 secs Computing kpt #: 150 total cpu time spent up to now is 25.7 secs Computing kpt #: 151 total cpu time spent up to now is 25.9 secs Computing kpt #: 152 total cpu time spent up to now is 26.0 secs Computing kpt #: 153 total cpu time spent up to now is 26.1 secs Computing kpt #: 154 total cpu time spent up to now is 26.3 secs Computing kpt #: 155 total cpu time spent up to now is 26.4 secs Computing kpt #: 156 total cpu time spent up to now is 26.6 secs Computing kpt #: 157 total cpu time spent up to now is 26.8 secs Computing kpt #: 158 total cpu time spent up to now is 26.9 secs Computing kpt #: 159 total cpu time spent up to now is 27.0 secs Computing kpt #: 160 total cpu time spent up to now is 27.2 secs Computing kpt #: 161 total cpu time spent up to now is 27.3 secs Computing kpt #: 162 total cpu time spent up to now is 27.5 secs Computing kpt #: 163 total cpu time spent up to now is 27.6 secs Computing kpt #: 164 total cpu time spent up to now is 27.8 secs Computing kpt #: 165 total cpu time spent up to now is 28.0 secs Computing kpt #: 166 total cpu time spent up to now is 28.1 secs Computing kpt #: 167 total cpu time spent up to now is 28.3 secs Computing kpt #: 168 total cpu time spent up to now is 28.5 secs Computing kpt #: 169 total cpu time spent up to now is 28.6 secs Computing kpt #: 170 total cpu time spent up to now is 28.8 secs Computing kpt #: 171 total cpu time spent up to now is 29.0 secs Computing kpt #: 172 total cpu time spent up to now is 29.1 secs Computing kpt #: 173 total cpu time spent up to now is 29.3 secs Computing kpt #: 174 total cpu time spent up to now is 29.5 secs Computing kpt #: 175 total cpu time spent up to now is 29.6 secs Computing kpt #: 176 total cpu time spent up to now is 29.8 secs Computing kpt #: 177 total cpu time spent up to now is 30.0 secs Computing kpt #: 178 total cpu time spent up to now is 30.1 secs Computing kpt #: 179 total cpu time spent up to now is 30.3 secs Computing kpt #: 180 total cpu time spent up to now is 30.5 secs Computing kpt #: 181 total cpu time spent up to now is 30.6 secs Computing kpt #: 182 total cpu time spent up to now is 30.8 secs Computing kpt #: 183 total cpu time spent up to now is 31.0 secs Computing kpt #: 184 total cpu time spent up to now is 31.1 secs Computing kpt #: 185 total cpu time spent up to now is 31.3 secs Computing kpt #: 186 total cpu time spent up to now is 31.5 secs Computing kpt #: 187 total cpu time spent up to now is 31.6 secs Computing kpt #: 188 total cpu time spent up to now is 31.8 secs Computing kpt #: 189 total cpu time spent up to now is 31.9 secs Computing kpt #: 190 total cpu time spent up to now is 32.1 secs Computing kpt #: 191 total cpu time spent up to now is 32.3 secs Computing kpt #: 192 total cpu time spent up to now is 32.4 secs Computing kpt #: 193 total cpu time spent up to now is 32.6 secs Computing kpt #: 194 total cpu time spent up to now is 32.8 secs Computing kpt #: 195 total cpu time spent up to now is 32.9 secs Computing kpt #: 196 total cpu time spent up to now is 33.1 secs Computing kpt #: 197 total cpu time spent up to now is 33.2 secs Computing kpt #: 198 total cpu time spent up to now is 33.4 secs Computing kpt #: 199 total cpu time spent up to now is 33.6 secs Computing kpt #: 200 total cpu time spent up to now is 33.7 secs Computing kpt #: 201 total cpu time spent up to now is 33.9 secs Computing kpt #: 202 total cpu time spent up to now is 34.0 secs Computing kpt #: 203 total cpu time spent up to now is 34.2 secs Computing kpt #: 204 total cpu time spent up to now is 34.4 secs Computing kpt #: 205 total cpu time spent up to now is 34.5 secs Computing kpt #: 206 total cpu time spent up to now is 34.7 secs Computing kpt #: 207 total cpu time spent up to now is 34.9 secs Computing kpt #: 208 total cpu time spent up to now is 35.1 secs Computing kpt #: 209 total cpu time spent up to now is 35.2 secs Computing kpt #: 210 total cpu time spent up to now is 35.4 secs Computing kpt #: 211 total cpu time spent up to now is 35.6 secs Computing kpt #: 212 total cpu time spent up to now is 35.8 secs Computing kpt #: 213 total cpu time spent up to now is 35.9 secs Computing kpt #: 214 total cpu time spent up to now is 36.1 secs Computing kpt #: 215 total cpu time spent up to now is 36.3 secs Computing kpt #: 216 total cpu time spent up to now is 36.5 secs Computing kpt #: 217 total cpu time spent up to now is 36.6 secs Computing kpt #: 218 total cpu time spent up to now is 36.8 secs Computing kpt #: 219 total cpu time spent up to now is 37.0 secs Computing kpt #: 220 total cpu time spent up to now is 37.1 secs Computing kpt #: 221 total cpu time spent up to now is 37.3 secs Computing kpt #: 222 total cpu time spent up to now is 37.4 secs Computing kpt #: 223 total cpu time spent up to now is 37.6 secs Computing kpt #: 224 total cpu time spent up to now is 37.7 secs Computing kpt #: 225 total cpu time spent up to now is 37.9 secs Computing kpt #: 226 total cpu time spent up to now is 38.0 secs Computing kpt #: 227 total cpu time spent up to now is 38.2 secs Computing kpt #: 228 total cpu time spent up to now is 38.3 secs Computing kpt #: 229 total cpu time spent up to now is 38.5 secs Computing kpt #: 230 total cpu time spent up to now is 38.6 secs Computing kpt #: 231 total cpu time spent up to now is 38.8 secs Computing kpt #: 232 total cpu time spent up to now is 38.9 secs Computing kpt #: 233 total cpu time spent up to now is 39.0 secs Computing kpt #: 234 total cpu time spent up to now is 39.2 secs Computing kpt #: 235 total cpu time spent up to now is 39.3 secs Computing kpt #: 236 total cpu time spent up to now is 39.5 secs Computing kpt #: 237 total cpu time spent up to now is 39.6 secs Computing kpt #: 238 total cpu time spent up to now is 39.8 secs Computing kpt #: 239 total cpu time spent up to now is 39.9 secs Computing kpt #: 240 total cpu time spent up to now is 40.1 secs Computing kpt #: 241 total cpu time spent up to now is 40.2 secs Computing kpt #: 242 total cpu time spent up to now is 40.4 secs Computing kpt #: 243 total cpu time spent up to now is 40.6 secs Computing kpt #: 244 total cpu time spent up to now is 40.7 secs Computing kpt #: 245 total cpu time spent up to now is 40.9 secs Computing kpt #: 246 total cpu time spent up to now is 41.1 secs Computing kpt #: 247 total cpu time spent up to now is 41.2 secs Computing kpt #: 248 total cpu time spent up to now is 41.4 secs Computing kpt #: 249 total cpu time spent up to now is 41.6 secs Computing kpt #: 250 total cpu time spent up to now is 41.8 secs Computing kpt #: 251 total cpu time spent up to now is 41.9 secs Computing kpt #: 252 total cpu time spent up to now is 42.1 secs Computing kpt #: 253 total cpu time spent up to now is 42.3 secs Computing kpt #: 254 total cpu time spent up to now is 42.4 secs Computing kpt #: 255 total cpu time spent up to now is 42.6 secs Computing kpt #: 256 total cpu time spent up to now is 42.8 secs Computing kpt #: 257 total cpu time spent up to now is 42.9 secs Computing kpt #: 258 total cpu time spent up to now is 43.1 secs Computing kpt #: 259 total cpu time spent up to now is 43.2 secs Computing kpt #: 260 total cpu time spent up to now is 43.4 secs Computing kpt #: 261 total cpu time spent up to now is 43.6 secs Computing kpt #: 262 total cpu time spent up to now is 43.7 secs Computing kpt #: 263 total cpu time spent up to now is 43.9 secs Computing kpt #: 264 total cpu time spent up to now is 44.0 secs Computing kpt #: 265 total cpu time spent up to now is 44.2 secs Computing kpt #: 266 total cpu time spent up to now is 44.3 secs Computing kpt #: 267 total cpu time spent up to now is 44.5 secs Computing kpt #: 268 total cpu time spent up to now is 44.7 secs Computing kpt #: 269 total cpu time spent up to now is 44.9 secs Computing kpt #: 270 total cpu time spent up to now is 45.1 secs Computing kpt #: 271 total cpu time spent up to now is 45.2 secs Computing kpt #: 272 total cpu time spent up to now is 45.4 secs Computing kpt #: 273 total cpu time spent up to now is 45.5 secs Computing kpt #: 274 total cpu time spent up to now is 45.7 secs Computing kpt #: 275 total cpu time spent up to now is 45.8 secs Computing kpt #: 276 total cpu time spent up to now is 46.0 secs Computing kpt #: 277 total cpu time spent up to now is 46.2 secs Computing kpt #: 278 total cpu time spent up to now is 46.3 secs Computing kpt #: 279 total cpu time spent up to now is 46.5 secs Computing kpt #: 280 total cpu time spent up to now is 46.6 secs Computing kpt #: 281 total cpu time spent up to now is 46.8 secs Computing kpt #: 282 total cpu time spent up to now is 46.9 secs Computing kpt #: 283 total cpu time spent up to now is 47.1 secs Computing kpt #: 284 total cpu time spent up to now is 47.2 secs Computing kpt #: 285 total cpu time spent up to now is 47.4 secs Computing kpt #: 286 total cpu time spent up to now is 47.5 secs Computing kpt #: 287 total cpu time spent up to now is 47.7 secs Computing kpt #: 288 total cpu time spent up to now is 47.8 secs Computing kpt #: 289 total cpu time spent up to now is 48.0 secs Computing kpt #: 290 total cpu time spent up to now is 48.1 secs Computing kpt #: 291 total cpu time spent up to now is 48.3 secs Computing kpt #: 292 total cpu time spent up to now is 48.4 secs Computing kpt #: 293 total cpu time spent up to now is 48.6 secs Computing kpt #: 294 total cpu time spent up to now is 48.7 secs Computing kpt #: 295 total cpu time spent up to now is 48.9 secs Computing kpt #: 296 total cpu time spent up to now is 49.1 secs Computing kpt #: 297 total cpu time spent up to now is 49.2 secs Computing kpt #: 298 total cpu time spent up to now is 49.4 secs Computing kpt #: 299 total cpu time spent up to now is 49.5 secs Computing kpt #: 300 total cpu time spent up to now is 49.7 secs Computing kpt #: 301 total cpu time spent up to now is 49.9 secs Computing kpt #: 302 total cpu time spent up to now is 50.0 secs Computing kpt #: 303 total cpu time spent up to now is 50.2 secs Computing kpt #: 304 total cpu time spent up to now is 50.3 secs Computing kpt #: 305 total cpu time spent up to now is 50.4 secs Computing kpt #: 306 total cpu time spent up to now is 50.6 secs Computing kpt #: 307 total cpu time spent up to now is 50.7 secs Computing kpt #: 308 total cpu time spent up to now is 50.9 secs Computing kpt #: 309 total cpu time spent up to now is 51.0 secs Computing kpt #: 310 total cpu time spent up to now is 51.2 secs Computing kpt #: 311 total cpu time spent up to now is 51.3 secs Computing kpt #: 312 total cpu time spent up to now is 51.4 secs Computing kpt #: 313 total cpu time spent up to now is 51.6 secs Computing kpt #: 314 total cpu time spent up to now is 51.7 secs Computing kpt #: 315 total cpu time spent up to now is 51.8 secs Computing kpt #: 316 total cpu time spent up to now is 52.0 secs Computing kpt #: 317 total cpu time spent up to now is 52.1 secs Computing kpt #: 318 total cpu time spent up to now is 52.2 secs Computing kpt #: 319 total cpu time spent up to now is 52.4 secs Computing kpt #: 320 total cpu time spent up to now is 52.5 secs Computing kpt #: 321 total cpu time spent up to now is 52.6 secs Computing kpt #: 322 total cpu time spent up to now is 52.8 secs Computing kpt #: 323 total cpu time spent up to now is 52.9 secs Computing kpt #: 324 total cpu time spent up to now is 53.1 secs Computing kpt #: 325 total cpu time spent up to now is 53.2 secs Computing kpt #: 326 total cpu time spent up to now is 53.3 secs Computing kpt #: 327 total cpu time spent up to now is 53.5 secs Computing kpt #: 328 total cpu time spent up to now is 53.6 secs Computing kpt #: 329 total cpu time spent up to now is 53.8 secs Computing kpt #: 330 total cpu time spent up to now is 53.9 secs Computing kpt #: 331 total cpu time spent up to now is 54.1 secs Computing kpt #: 332 total cpu time spent up to now is 54.2 secs Computing kpt #: 333 total cpu time spent up to now is 54.3 secs Computing kpt #: 334 total cpu time spent up to now is 54.5 secs Computing kpt #: 335 total cpu time spent up to now is 54.7 secs Computing kpt #: 336 total cpu time spent up to now is 54.8 secs Computing kpt #: 337 total cpu time spent up to now is 55.0 secs Computing kpt #: 338 total cpu time spent up to now is 55.1 secs Computing kpt #: 339 total cpu time spent up to now is 55.3 secs Computing kpt #: 340 total cpu time spent up to now is 55.4 secs Computing kpt #: 341 total cpu time spent up to now is 55.6 secs Computing kpt #: 342 total cpu time spent up to now is 55.7 secs Computing kpt #: 343 total cpu time spent up to now is 55.9 secs Computing kpt #: 344 total cpu time spent up to now is 56.0 secs Computing kpt #: 345 total cpu time spent up to now is 56.2 secs Computing kpt #: 346 total cpu time spent up to now is 56.3 secs Computing kpt #: 347 total cpu time spent up to now is 56.5 secs Computing kpt #: 348 total cpu time spent up to now is 56.6 secs Computing kpt #: 349 total cpu time spent up to now is 56.8 secs Computing kpt #: 350 total cpu time spent up to now is 56.9 secs Computing kpt #: 351 total cpu time spent up to now is 57.1 secs Computing kpt #: 352 total cpu time spent up to now is 57.2 secs Computing kpt #: 353 total cpu time spent up to now is 57.4 secs Computing kpt #: 354 total cpu time spent up to now is 57.6 secs Computing kpt #: 355 total cpu time spent up to now is 57.7 secs Computing kpt #: 356 total cpu time spent up to now is 57.9 secs Computing kpt #: 357 total cpu time spent up to now is 58.0 secs Computing kpt #: 358 total cpu time spent up to now is 58.2 secs Computing kpt #: 359 total cpu time spent up to now is 58.3 secs Computing kpt #: 360 total cpu time spent up to now is 58.5 secs Computing kpt #: 361 total cpu time spent up to now is 58.6 secs Computing kpt #: 362 total cpu time spent up to now is 58.8 secs Computing kpt #: 363 total cpu time spent up to now is 58.9 secs Computing kpt #: 364 total cpu time spent up to now is 59.1 secs Computing kpt #: 365 total cpu time spent up to now is 59.2 secs Computing kpt #: 366 total cpu time spent up to now is 59.4 secs Computing kpt #: 367 total cpu time spent up to now is 59.5 secs Computing kpt #: 368 total cpu time spent up to now is 59.6 secs Computing kpt #: 369 total cpu time spent up to now is 59.8 secs Computing kpt #: 370 total cpu time spent up to now is 59.9 secs Computing kpt #: 371 total cpu time spent up to now is 60.1 secs Computing kpt #: 372 total cpu time spent up to now is 60.2 secs Computing kpt #: 373 total cpu time spent up to now is 60.4 secs Computing kpt #: 374 total cpu time spent up to now is 60.5 secs Computing kpt #: 375 total cpu time spent up to now is 60.7 secs Computing kpt #: 376 total cpu time spent up to now is 60.8 secs Computing kpt #: 377 total cpu time spent up to now is 61.0 secs Computing kpt #: 378 total cpu time spent up to now is 61.1 secs Computing kpt #: 379 total cpu time spent up to now is 61.3 secs Computing kpt #: 380 total cpu time spent up to now is 61.4 secs Computing kpt #: 381 total cpu time spent up to now is 61.6 secs Computing kpt #: 382 total cpu time spent up to now is 61.7 secs Computing kpt #: 383 total cpu time spent up to now is 61.9 secs Computing kpt #: 384 total cpu time spent up to now is 62.1 secs Computing kpt #: 385 total cpu time spent up to now is 62.2 secs Computing kpt #: 386 total cpu time spent up to now is 62.4 secs Computing kpt #: 387 total cpu time spent up to now is 62.6 secs Computing kpt #: 388 total cpu time spent up to now is 62.7 secs Computing kpt #: 389 total cpu time spent up to now is 62.9 secs Computing kpt #: 390 total cpu time spent up to now is 63.0 secs Computing kpt #: 391 total cpu time spent up to now is 63.2 secs Computing kpt #: 392 total cpu time spent up to now is 63.3 secs Computing kpt #: 393 total cpu time spent up to now is 63.5 secs Computing kpt #: 394 total cpu time spent up to now is 63.6 secs Computing kpt #: 395 total cpu time spent up to now is 63.8 secs Computing kpt #: 396 total cpu time spent up to now is 63.9 secs Computing kpt #: 397 total cpu time spent up to now is 64.0 secs Computing kpt #: 398 total cpu time spent up to now is 64.2 secs Computing kpt #: 399 total cpu time spent up to now is 64.3 secs Computing kpt #: 400 total cpu time spent up to now is 64.5 secs Computing kpt #: 401 total cpu time spent up to now is 64.6 secs Computing kpt #: 402 total cpu time spent up to now is 64.7 secs Computing kpt #: 403 total cpu time spent up to now is 64.9 secs Computing kpt #: 404 total cpu time spent up to now is 65.0 secs Computing kpt #: 405 total cpu time spent up to now is 65.1 secs Computing kpt #: 406 total cpu time spent up to now is 65.3 secs Computing kpt #: 407 total cpu time spent up to now is 65.4 secs Computing kpt #: 408 total cpu time spent up to now is 65.5 secs Computing kpt #: 409 total cpu time spent up to now is 65.7 secs Computing kpt #: 410 total cpu time spent up to now is 65.8 secs Computing kpt #: 411 total cpu time spent up to now is 65.9 secs Computing kpt #: 412 total cpu time spent up to now is 66.1 secs Computing kpt #: 413 total cpu time spent up to now is 66.2 secs ethr = 4.55E-08, avg # of iterations = 16.9 total cpu time spent up to now is 66.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1797 PWs) bands (ev): -17.4020 -17.4020 -11.8151 -11.8151 -5.5117 -5.5117 -3.5310 -3.5310 -1.4937 -1.4937 -1.4932 -1.4932 2.5630 2.5630 5.2930 5.2930 5.4238 5.4238 7.6717 7.6717 7.6972 7.6972 12.2230 12.2230 13.5774 13.5774 14.0354 14.0354 16.1834 16.1834 k = 0.0000 0.0000 0.0136 ( 1787 PWs) bands (ev): -17.4017 -17.4017 -11.8156 -11.8156 -5.5119 -5.5119 -3.5310 -3.5310 -1.4940 -1.4940 -1.4929 -1.4929 2.5634 2.5634 5.2913 5.2913 5.4219 5.4219 7.6720 7.6720 7.6976 7.6976 12.2263 12.2263 13.5819 13.5819 14.0352 14.0352 16.1862 16.1862 k = 0.0000 0.0000 0.0273 ( 1783 PWs) bands (ev): -17.4007 -17.4007 -11.8170 -11.8170 -5.5127 -5.5127 -3.5309 -3.5309 -1.4953 -1.4953 -1.4915 -1.4915 2.5645 2.5645 5.2856 5.2856 5.4164 5.4164 7.6721 7.6721 7.6995 7.6995 12.2363 12.2363 13.5955 13.5955 14.0346 14.0346 16.1904 16.1904 k = 0.0000 0.0000 0.0409 ( 1779 PWs) bands (ev): -17.3992 -17.3992 -11.8194 -11.8194 -5.5139 -5.5139 -3.5307 -3.5307 -1.4977 -1.4977 -1.4892 -1.4892 2.5663 2.5663 5.2751 5.2751 5.4084 5.4084 7.6705 7.6705 7.7046 7.7046 12.2529 12.2529 13.6178 13.6178 14.0337 14.0337 16.1919 16.1919 k = 0.0000 0.0000 0.0546 ( 1775 PWs) bands (ev): -17.3970 -17.3970 -11.8227 -11.8227 -5.5156 -5.5156 -3.5306 -3.5306 -1.5010 -1.5010 -1.4860 -1.4860 2.5688 2.5688 5.2585 5.2585 5.3998 5.3998 7.6663 7.6663 7.7137 7.7137 12.2762 12.2762 13.6485 13.6485 14.0324 14.0324 16.1937 16.1937 k = 0.0000 0.0000 0.0682 ( 1775 PWs) bands (ev): -17.3942 -17.3942 -11.8268 -11.8268 -5.5179 -5.5179 -3.5304 -3.5304 -1.5052 -1.5052 -1.4820 -1.4820 2.5721 2.5721 5.2347 5.2347 5.3919 5.3919 7.6594 7.6594 7.7267 7.7267 12.3060 12.3060 13.6870 13.6870 14.0308 14.0308 16.1961 16.1961 k = 0.0000 0.0000 0.0818 ( 1775 PWs) bands (ev): -17.3908 -17.3908 -11.8319 -11.8319 -5.5206 -5.5206 -3.5303 -3.5303 -1.5103 -1.5103 -1.4773 -1.4773 2.5760 2.5760 5.2033 5.2033 5.3858 5.3858 7.6503 7.6503 7.7432 7.7432 12.3423 12.3423 13.7328 13.7328 14.0288 14.0288 16.1987 16.1987 k = 0.0000 0.0000 0.0955 ( 1767 PWs) bands (ev): -17.3868 -17.3868 -11.8377 -11.8377 -5.5238 -5.5238 -3.5303 -3.5303 -1.5162 -1.5162 -1.4720 -1.4720 2.5807 2.5807 5.1647 5.1647 5.3816 5.3816 7.6393 7.6393 7.7629 7.7629 12.3850 12.3850 13.7849 13.7849 14.0267 14.0267 16.2014 16.2014 k = 0.0000 0.0000 0.1091 ( 1763 PWs) bands (ev): -17.3822 -17.3822 -11.8443 -11.8443 -5.5275 -5.5275 -3.5304 -3.5304 -1.5230 -1.5230 -1.4661 -1.4661 2.5861 2.5861 5.1200 5.1200 5.3791 5.3791 7.6265 7.6265 7.7855 7.7855 12.4341 12.4341 13.8424 13.8424 14.0247 14.0247 16.2037 16.2037 k = 0.0000 0.0000 0.1227 ( 1767 PWs) bands (ev): -17.3771 -17.3771 -11.8517 -11.8517 -5.5317 -5.5317 -3.5306 -3.5306 -1.5305 -1.5305 -1.4599 -1.4599 2.5921 2.5921 5.0702 5.0702 5.3781 5.3781 7.6120 7.6120 7.8108 7.8108 12.4894 12.4894 13.9036 13.9036 14.0234 14.0234 16.2044 16.2044 k = 0.0000 0.0000 0.1364 ( 1767 PWs) bands (ev): -17.3714 -17.3714 -11.8597 -11.8597 -5.5364 -5.5364 -3.5311 -3.5311 -1.5388 -1.5388 -1.4535 -1.4535 2.5988 2.5988 5.0164 5.0164 5.3781 5.3781 7.5960 7.5960 7.8386 7.8386 12.5509 12.5509 13.9633 13.9633 14.0275 14.0275 16.2011 16.2011 k = 0.0000 0.0000 0.1500 ( 1767 PWs) bands (ev): -17.3652 -17.3652 -11.8683 -11.8683 -5.5416 -5.5416 -3.5319 -3.5319 -1.5477 -1.5477 -1.4471 -1.4471 2.6061 2.6061 4.9598 4.9598 5.3790 5.3790 7.5784 7.5784 7.8688 7.8688 12.6185 12.6185 13.9959 13.9959 14.0617 14.0617 16.1875 16.1875 k = 0.0000 0.0000 0.1637 ( 1771 PWs) bands (ev): -17.3585 -17.3585 -11.8775 -11.8775 -5.5473 -5.5473 -3.5330 -3.5330 -1.5574 -1.5574 -1.4408 -1.4408 2.6141 2.6141 4.9012 4.9012 5.3807 5.3807 7.5594 7.5594 7.9011 7.9011 12.6920 12.6920 13.9990 13.9990 14.1274 14.1274 16.1578 16.1578 k = 0.0000 0.0000 0.1773 ( 1775 PWs) bands (ev): -17.3513 -17.3513 -11.8871 -11.8871 -5.5535 -5.5535 -3.5346 -3.5346 -1.5676 -1.5676 -1.4349 -1.4349 2.6228 2.6228 4.8417 4.8417 5.3831 5.3831 7.5391 7.5391 7.9354 7.9354 12.7713 12.7713 13.9963 13.9963 14.2003 14.2003 16.1157 16.1157 k = 0.0000 0.0000 0.1909 ( 1779 PWs) bands (ev): -17.3437 -17.3437 -11.8971 -11.8971 -5.5601 -5.5601 -3.5366 -3.5366 -1.5784 -1.5784 -1.4295 -1.4295 2.6320 2.6320 4.7822 4.7822 5.3861 5.3861 7.5176 7.5176 7.9714 7.9714 12.8562 12.8562 13.9921 13.9921 14.2755 14.2755 16.0687 16.0687 k = 0.0000 0.0000 0.2046 ( 1783 PWs) bands (ev): -17.3356 -17.3356 -11.9075 -11.9075 -5.5673 -5.5673 -3.5391 -3.5391 -1.5897 -1.5897 -1.4250 -1.4250 2.6419 2.6419 4.7235 4.7235 5.3897 5.3897 7.4949 7.4949 8.0089 8.0089 12.9467 12.9467 13.9871 13.9871 14.3516 14.3516 16.0207 16.0207 k = 0.0000 0.0000 0.2182 ( 1785 PWs) bands (ev): -17.3272 -17.3272 -11.9181 -11.9181 -5.5749 -5.5749 -3.5421 -3.5421 -1.6016 -1.6016 -1.4214 -1.4214 2.6523 2.6523 4.6665 4.6665 5.3938 5.3938 7.4711 7.4711 8.0476 8.0476 13.0426 13.0426 13.9816 13.9816 14.4277 14.4277 15.9733 15.9733 k = 0.0000 0.0000 0.2318 ( 1785 PWs) bands (ev): -17.3183 -17.3183 -11.9289 -11.9289 -5.5830 -5.5830 -3.5458 -3.5458 -1.6140 -1.6140 -1.4191 -1.4191 2.6633 2.6633 4.6119 4.6119 5.3984 5.3984 7.4463 7.4463 8.0873 8.0873 13.1437 13.1437 13.9758 13.9758 14.5033 14.5033 15.9271 15.9271 k = 0.0000 0.0000 0.2455 ( 1785 PWs) bands (ev): -17.3091 -17.3091 -11.9397 -11.9397 -5.5916 -5.5916 -3.5501 -3.5501 -1.6270 -1.6270 -1.4181 -1.4181 2.6748 2.6748 4.5605 4.5605 5.4036 5.4036 7.4206 7.4206 8.1278 8.1278 13.2499 13.2499 13.9696 13.9696 14.5781 14.5781 15.8824 15.8824 k = 0.0000 0.0000 0.2591 ( 1783 PWs) bands (ev): -17.2997 -17.2997 -11.9507 -11.9507 -5.6005 -5.6005 -3.5552 -3.5552 -1.6405 -1.6405 -1.4187 -1.4187 2.6869 2.6869 4.5129 4.5129 5.4093 5.4093 7.3942 7.3942 8.1686 8.1686 13.3609 13.3609 13.9633 13.9633 14.6516 14.6516 15.8396 15.8396 k = 0.0000 0.0000 0.2728 ( 1783 PWs) bands (ev): -17.2899 -17.2899 -11.9615 -11.9615 -5.6099 -5.6099 -3.5610 -3.5609 -1.6546 -1.6546 -1.4209 -1.4209 2.6996 2.6996 4.4697 4.4697 5.4156 5.4156 7.3670 7.3670 8.2097 8.2097 13.4766 13.4766 13.9567 13.9567 14.7235 14.7235 15.7986 15.7986 k = 0.0000 0.0000 0.2864 ( 1783 PWs) bands (ev): -17.2799 -17.2799 -11.9723 -11.9723 -5.6197 -5.6197 -3.5675 -3.5675 -1.6694 -1.6694 -1.4248 -1.4248 2.7127 2.7127 4.4315 4.4315 5.4223 5.4223 7.3392 7.3392 8.2506 8.2506 13.5968 13.5968 13.9502 13.9502 14.7938 14.7938 15.7595 15.7595 k = 0.0000 0.0000 0.3000 ( 1787 PWs) bands (ev): -17.2697 -17.2697 -11.9829 -11.9829 -5.6299 -5.6299 -3.5749 -3.5749 -1.6850 -1.6850 -1.4304 -1.4304 2.7263 2.7263 4.3986 4.3986 5.4295 5.4295 7.3109 7.3109 8.2911 8.2911 13.7207 13.7207 13.9440 13.9440 14.8622 14.8622 15.7223 15.7223 k = 0.0000 0.0000 0.3137 ( 1787 PWs) bands (ev): -17.2593 -17.2593 -11.9932 -11.9932 -5.6405 -5.6405 -3.5831 -3.5831 -1.7015 -1.7015 -1.4376 -1.4376 2.7404 2.7404 4.3717 4.3717 5.4372 5.4372 7.2821 7.2821 8.3309 8.3309 13.8458 13.8458 13.9409 13.9409 14.9286 14.9286 15.6871 15.6871 k = 0.0000 0.0000 0.3273 ( 1787 PWs) bands (ev): -17.2487 -17.2487 -12.0032 -12.0032 -5.6514 -5.6514 -3.5922 -3.5922 -1.7193 -1.7193 -1.4463 -1.4463 2.7549 2.7549 4.3508 4.3508 5.4453 5.4453 7.2530 7.2530 8.3697 8.3697 13.9171 13.9171 13.9954 13.9954 14.9929 14.9929 15.6539 15.6539 k = 0.0000 0.0000 0.3409 ( 1791 PWs) bands (ev): -17.2381 -17.2381 -12.0128 -12.0128 -5.6625 -5.6625 -3.6022 -3.6022 -1.7384 -1.7384 -1.4562 -1.4562 2.7697 2.7697 4.3362 4.3362 5.4539 5.4539 7.2236 7.2236 8.4073 8.4073 13.9155 13.9155 14.1267 14.1267 15.0550 15.0550 15.6226 15.6226 k = 0.0000 0.0000 0.3546 ( 1791 PWs) bands (ev): -17.2274 -17.2274 -12.0221 -12.0221 -5.6740 -5.6740 -3.6130 -3.6130 -1.7592 -1.7592 -1.4669 -1.4669 2.7850 2.7850 4.3282 4.3282 5.4629 5.4629 7.1941 7.1941 8.4434 8.4434 13.9089 13.9089 14.2664 14.2664 15.1147 15.1147 15.5931 15.5931 k = 0.0000 0.0000 0.3682 ( 1795 PWs) bands (ev): -17.2166 -17.2166 -12.0308 -12.0308 -5.6857 -5.6857 -3.6248 -3.6248 -1.7819 -1.7819 -1.4782 -1.4782 2.8005 2.8005 4.3267 4.3267 5.4723 5.4723 7.1645 7.1645 8.4777 8.4777 13.9016 13.9016 14.4105 14.4105 15.1720 15.1720 15.5656 15.5656 k = 0.0000 0.0000 0.3819 ( 1795 PWs) bands (ev): -17.2059 -17.2059 -12.0391 -12.0391 -5.6976 -5.6976 -3.6376 -3.6376 -1.8067 -1.8067 -1.4896 -1.4896 2.8163 2.8163 4.3318 4.3318 5.4821 5.4821 7.1349 7.1349 8.5100 8.5100 13.8941 13.8941 14.5580 14.5580 15.2267 15.2267 15.5400 15.5400 k = 0.0000 0.0000 0.3955 ( 1791 PWs) bands (ev): -17.1952 -17.1952 -12.0468 -12.0468 -5.7097 -5.7097 -3.6512 -3.6512 -1.8338 -1.8338 -1.5007 -1.5007 2.8324 2.8324 4.3433 4.3433 5.4922 5.4922 7.1055 7.1055 8.5402 8.5402 13.8864 13.8864 14.7087 14.7087 15.2787 15.2787 15.5162 15.5162 k = 0.0000 0.0000 0.4091 ( 1795 PWs) bands (ev): -17.1845 -17.1845 -12.0539 -12.0539 -5.7219 -5.7219 -3.6658 -3.6658 -1.8634 -1.8634 -1.5112 -1.5112 2.8486 2.8486 4.3611 4.3611 5.5027 5.5027 7.0761 7.0761 8.5680 8.5680 13.8787 13.8787 14.8623 14.8623 15.3275 15.3275 15.4945 15.4945 k = 0.0000 0.0000 0.4228 ( 1795 PWs) bands (ev): -17.1740 -17.1740 -12.0604 -12.0604 -5.7342 -5.7342 -3.6813 -3.6813 -1.8955 -1.8955 -1.5209 -1.5209 2.8648 2.8648 4.3850 4.3850 5.5134 5.5134 7.0471 7.0471 8.5933 8.5933 13.8710 13.8710 15.0183 15.0183 15.3724 15.3724 15.4756 15.4756 k = 0.0000 0.0000 0.4364 ( 1795 PWs) bands (ev): -17.1636 -17.1636 -12.0663 -12.0663 -5.7466 -5.7466 -3.6977 -3.6977 -1.9299 -1.9299 -1.5294 -1.5294 2.8811 2.8811 4.4146 4.4146 5.5244 5.5244 7.0184 7.0184 8.6160 8.6160 13.8634 13.8634 15.1759 15.1759 15.4101 15.4101 15.4631 15.4631 k = 0.0000 0.0000 0.4500 ( 1791 PWs) bands (ev): -17.1533 -17.1533 -12.0715 -12.0715 -5.7590 -5.7590 -3.7150 -3.7150 -1.9664 -1.9664 -1.5367 -1.5367 2.8974 2.8974 4.4497 4.4497 5.5357 5.5357 6.9901 6.9901 8.6360 8.6360 13.8559 13.8559 15.3304 15.3304 15.4270 15.4270 15.4743 15.4743 k = 0.0000 0.0000 0.4637 ( 1791 PWs) bands (ev): -17.1433 -17.1433 -12.0761 -12.0761 -5.7714 -5.7714 -3.7332 -3.7332 -2.0049 -2.0049 -1.5428 -1.5428 2.9135 2.9135 4.4898 4.4898 5.5471 5.5471 6.9623 6.9623 8.6533 8.6533 13.8485 13.8485 15.3996 15.3996 15.4953 15.4953 15.5182 15.5182 k = 0.0000 0.0000 0.4773 ( 1799 PWs) bands (ev): -17.1334 -17.1334 -12.0801 -12.0801 -5.7837 -5.7837 -3.7521 -3.7521 -2.0448 -2.0448 -1.5476 -1.5476 2.9295 2.9295 4.5344 4.5344 5.5586 5.5586 6.9350 6.9350 8.6679 8.6679 13.8413 13.8413 15.3903 15.3903 15.5345 15.5345 15.6633 15.6633 k = 0.0000 0.0000 0.4910 ( 1799 PWs) bands (ev): -17.1238 -17.1238 -12.0834 -12.0834 -5.7959 -5.7959 -3.7718 -3.7718 -2.0859 -2.0859 -1.5512 -1.5512 2.9453 2.9453 4.5832 4.5832 5.5703 5.5703 6.9084 6.9084 8.6798 8.6798 13.8342 13.8342 15.3773 15.3773 15.5642 15.5642 15.7755 15.7755 k = 0.0000 0.0000 0.5046 ( 1793 PWs) bands (ev): -17.1145 -17.1145 -12.0861 -12.0861 -5.8079 -5.8079 -3.7922 -3.7922 -2.1278 -2.1278 -1.5537 -1.5537 2.9608 2.9608 4.6356 4.6356 5.5821 5.5821 6.8824 6.8824 8.6891 8.6891 13.8274 13.8274 15.3642 15.3642 15.5902 15.5902 15.8240 15.8240 k = 0.0000 0.0000 0.5182 ( 1789 PWs) bands (ev): -17.1054 -17.1054 -12.0882 -12.0882 -5.8198 -5.8198 -3.8132 -3.8132 -2.1700 -2.1700 -1.5552 -1.5552 2.9760 2.9760 4.6911 4.6911 5.5939 5.5939 6.8572 6.8572 8.6960 8.6960 13.8207 13.8207 15.3518 15.3518 15.6124 15.6124 15.8659 15.8659 k = 0.0000 0.0000 0.5319 ( 1789 PWs) bands (ev): -17.0967 -17.0967 -12.0898 -12.0898 -5.8314 -5.8314 -3.8348 -3.8348 -2.2122 -2.2122 -1.5557 -1.5557 2.9908 2.9908 4.7491 4.7491 5.6058 5.6058 6.8327 6.8327 8.7005 8.7005 13.8143 13.8143 15.3402 15.3402 15.6305 15.6305 15.9104 15.9104 k = 0.0000 0.0000 0.5455 ( 1789 PWs) bands (ev): -17.0883 -17.0883 -12.0908 -12.0908 -5.8428 -5.8428 -3.8567 -3.8567 -2.2540 -2.2540 -1.5554 -1.5554 3.0052 3.0052 4.8091 4.8091 5.6177 5.6177 6.8092 6.8092 8.7028 8.7028 13.8081 13.8081 15.3294 15.3294 15.6445 15.6445 15.9587 15.9587 k = 0.0000 0.0000 0.5591 ( 1795 PWs) bands (ev): -17.0803 -17.0803 -12.0913 -12.0913 -5.8538 -5.8538 -3.8790 -3.8790 -2.2951 -2.2951 -1.5543 -1.5543 3.0191 3.0191 4.8704 4.8704 5.6295 5.6295 6.7865 6.7865 8.7031 8.7031 13.8021 13.8021 15.3193 15.3193 15.6543 15.6543 16.0105 16.0105 k = 0.0000 0.0000 0.5728 ( 1799 PWs) bands (ev): -17.0726 -17.0726 -12.0913 -12.0913 -5.8645 -5.8645 -3.9015 -3.9015 -2.3352 -2.3352 -1.5527 -1.5527 3.0326 3.0326 4.9325 4.9325 5.6414 5.6414 6.7648 6.7648 8.7016 8.7016 13.7964 13.7964 15.3100 15.3100 15.6598 15.6598 16.0657 16.0657 k = 0.0000 0.0000 0.5864 ( 1799 PWs) bands (ev): -17.0653 -17.0653 -12.0909 -12.0909 -5.8749 -5.8749 -3.9240 -3.9240 -2.3739 -2.3739 -1.5505 -1.5505 3.0454 3.0454 4.9947 4.9947 5.6532 5.6532 6.7441 6.7441 8.6986 8.6986 13.7910 13.7910 15.3015 15.3015 15.6612 15.6612 16.1237 16.1237 k = 0.0000 0.0000 0.6001 ( 1803 PWs) bands (ev): -17.0584 -17.0584 -12.0902 -12.0902 -5.8848 -5.8848 -3.9464 -3.9464 -2.4111 -2.4111 -1.5479 -1.5479 3.0577 3.0577 5.0564 5.0564 5.6649 5.6649 6.7244 6.7244 8.6942 8.6942 13.7859 13.7859 15.2937 15.2937 15.6586 15.6586 16.1839 16.1839 k = 0.0000 0.0000 0.6137 ( 1803 PWs) bands (ev): -17.0519 -17.0519 -12.0891 -12.0891 -5.8942 -5.8942 -3.9686 -3.9686 -2.4465 -2.4465 -1.5449 -1.5449 3.0694 3.0694 5.1171 5.1171 5.6767 5.6767 6.7058 6.7058 8.6887 8.6887 13.7810 13.7810 15.2865 15.2865 15.6524 15.6524 16.2457 16.2458 k = 0.0000 0.0000 0.6273 ( 1799 PWs) bands (ev): -17.0458 -17.0458 -12.0878 -12.0878 -5.9031 -5.9031 -3.9903 -3.9903 -2.4799 -2.4799 -1.5418 -1.5418 3.0805 3.0805 5.1760 5.1760 5.6885 5.6885 6.6884 6.6884 8.6824 8.6824 13.7765 13.7765 15.2800 15.2800 15.6428 15.6428 16.3085 16.3085 k = 0.0000 0.0000 0.6410 ( 1793 PWs) bands (ev): -17.0402 -17.0402 -12.0863 -12.0863 -5.9115 -5.9115 -4.0113 -4.0113 -2.5113 -2.5113 -1.5385 -1.5385 3.0908 3.0908 5.2325 5.2325 5.7004 5.7004 6.6721 6.6721 8.6755 8.6755 13.7722 13.7722 15.2741 15.2741 15.6304 15.6304 16.3714 16.3714 k = 0.0000 0.0000 0.6546 ( 1797 PWs) bands (ev): -17.0349 -17.0349 -12.0846 -12.0846 -5.9194 -5.9194 -4.0316 -4.0316 -2.5404 -2.5404 -1.5351 -1.5351 3.1004 3.1004 5.2859 5.2859 5.7123 5.7123 6.6569 6.6569 8.6681 8.6681 13.7683 13.7683 15.2688 15.2688 15.6158 15.6158 16.4337 16.4337 k = 0.0000 0.0000 0.6683 ( 1801 PWs) bands (ev): -17.0302 -17.0302 -12.0829 -12.0829 -5.9267 -5.9267 -4.0509 -4.0509 -2.5671 -2.5671 -1.5317 -1.5317 3.1093 3.1093 5.3357 5.3357 5.7245 5.7245 6.6430 6.6430 8.6606 8.6606 13.7647 13.7647 15.2640 15.2640 15.5995 15.5995 16.4946 16.4946 k = 0.0000 0.0000 0.6819 ( 1801 PWs) bands (ev): -17.0258 -17.0258 -12.0811 -12.0811 -5.9334 -5.9334 -4.0689 -4.0689 -2.5915 -2.5915 -1.5284 -1.5284 3.1175 3.1175 5.3814 5.3814 5.7368 5.7368 6.6304 6.6304 8.6531 8.6531 13.7614 13.7614 15.2598 15.2598 15.5822 15.5822 16.5532 16.5532 k = 0.0000 0.0000 0.6955 ( 1801 PWs) bands (ev): -17.0219 -17.0219 -12.0793 -12.0793 -5.9394 -5.9394 -4.0857 -4.0857 -2.6134 -2.6134 -1.5253 -1.5253 3.1248 3.1248 5.4223 5.4223 5.7493 5.7493 6.6190 6.6190 8.6459 8.6459 13.7584 13.7584 15.2560 15.2560 15.5645 15.5645 16.6086 16.6086 k = 0.0000 0.0000 0.7092 ( 1797 PWs) bands (ev): -17.0185 -17.0185 -12.0776 -12.0776 -5.9448 -5.9448 -4.1009 -4.1009 -2.6328 -2.6328 -1.5224 -1.5224 3.1314 3.1314 5.4581 5.4581 5.7618 5.7618 6.6089 6.6089 8.6390 8.6390 13.7558 13.7558 15.2527 15.2527 15.5472 15.5472 16.6601 16.6601 k = 0.0000 0.0000 0.7228 ( 1793 PWs) bands (ev): -17.0155 -17.0155 -12.0761 -12.0761 -5.9495 -5.9495 -4.1144 -4.1144 -2.6496 -2.6496 -1.5198 -1.5198 3.1371 3.1371 5.4887 5.4887 5.7741 5.7741 6.6001 6.6001 8.6328 8.6328 13.7535 13.7535 15.2499 15.2499 15.5307 15.5307 16.7068 16.7068 k = 0.0000 0.0000 0.7364 ( 1790 PWs) bands (ev): -17.0130 -17.0130 -12.0747 -12.0747 -5.9535 -5.9535 -4.1261 -4.1261 -2.6638 -2.6638 -1.5175 -1.5175 3.1419 3.1419 5.5139 5.5139 5.7859 5.7859 6.5927 6.5927 8.6272 8.6272 13.7516 13.7516 15.2475 15.2475 15.5157 15.5157 16.7478 16.7478 k = 0.0000 0.0000 0.7501 ( 1790 PWs) bands (ev): -17.0109 -17.0109 -12.0735 -12.0735 -5.9568 -5.9568 -4.1358 -4.1358 -2.6755 -2.6755 -1.5155 -1.5155 3.1459 3.1459 5.5339 5.5339 5.7967 5.7967 6.5865 6.5865 8.6225 8.6225 13.7500 13.7500 15.2456 15.2456 15.5028 15.5028 16.7826 16.7826 k = 0.0000 0.0000 0.7637 ( 1782 PWs) bands (ev): -17.0093 -17.0093 -12.0725 -12.0725 -5.9594 -5.9594 -4.1435 -4.1435 -2.6846 -2.6846 -1.5140 -1.5140 3.1490 3.1490 5.5490 5.5490 5.8058 5.8058 6.5818 6.5818 8.6187 8.6187 13.7489 13.7489 15.2441 15.2441 15.4922 15.4922 16.8103 16.8103 k = 0.0000 0.0000 0.7774 ( 1782 PWs) bands (ev): -17.0081 -17.0081 -12.0718 -12.0718 -5.9612 -5.9612 -4.1491 -4.1491 -2.6911 -2.6911 -1.5128 -1.5128 3.1513 3.1513 5.5596 5.5596 5.8128 5.8128 6.5783 6.5783 8.6160 8.6160 13.7480 13.7480 15.2430 15.2430 15.4844 15.4844 16.8305 16.8305 k = 0.0000 0.0000 0.7910 ( 1784 PWs) bands (ev): -17.0074 -17.0074 -12.0714 -12.0714 -5.9624 -5.9624 -4.1524 -4.1524 -2.6950 -2.6950 -1.5121 -1.5121 3.1526 3.1526 5.5657 5.5657 5.8172 5.8172 6.5763 6.5763 8.6143 8.6143 13.7475 13.7475 15.2423 15.2423 15.4796 15.4796 16.8428 16.8428 k = 0.0000 0.0000 0.8046 ( 1780 PWs) bands (ev): -17.0072 -17.0072 -12.0712 -12.0712 -5.9627 -5.9627 -4.1536 -4.1536 -2.6963 -2.6963 -1.5119 -1.5119 3.1531 3.1531 5.5678 5.5678 5.8187 5.8187 6.5756 6.5756 8.6138 8.6138 13.7473 13.7473 15.2421 15.2421 15.4780 15.4780 16.8469 16.8469 k = 0.0000 0.0000 0.8046 ( 1780 PWs) bands (ev): -17.0072 -17.0072 -12.0712 -12.0712 -5.9627 -5.9627 -4.1536 -4.1536 -2.6963 -2.6963 -1.5119 -1.5119 3.1531 3.1531 5.5678 5.5678 5.8187 5.8187 6.5756 6.5756 8.6138 8.6138 13.7473 13.7473 15.2421 15.2421 15.4780 15.4780 16.8469 16.8469 k =-0.0083 0.0104 0.8046 ( 1780 PWs) bands (ev): -17.0073 -17.0073 -12.0715 -12.0715 -5.9633 -5.9633 -4.1527 -4.1527 -2.6950 -2.6950 -1.5117 -1.5117 3.1533 3.1533 5.5665 5.5665 5.8163 5.8163 6.5779 6.5779 8.6139 8.6139 13.7469 13.7469 15.2408 15.2408 15.4816 15.4816 16.8471 16.8471 k =-0.0166 0.0209 0.8046 ( 1780 PWs) bands (ev): -17.0075 -17.0075 -12.0722 -12.0722 -5.9649 -5.9649 -4.1502 -4.1502 -2.6910 -2.6910 -1.5109 -1.5109 3.1540 3.1540 5.5625 5.5625 5.8092 5.8092 6.5847 6.5847 8.6145 8.6145 13.7458 13.7458 15.2367 15.2367 15.4924 15.4924 16.8477 16.8477 k =-0.0248 0.0313 0.8046 ( 1784 PWs) bands (ev): -17.0079 -17.0079 -12.0733 -12.0733 -5.9676 -5.9676 -4.1461 -4.1461 -2.6844 -2.6844 -1.5096 -1.5096 3.1553 3.1553 5.5555 5.5555 5.7979 5.7979 6.5959 6.5959 8.6153 8.6153 13.7440 13.7440 15.2299 15.2299 15.5103 15.5103 16.8487 16.8487 k =-0.0331 0.0417 0.8046 ( 1782 PWs) bands (ev): -17.0084 -17.0084 -12.0749 -12.0749 -5.9713 -5.9713 -4.1404 -4.1404 -2.6752 -2.6752 -1.5077 -1.5077 3.1570 3.1570 5.5451 5.5451 5.7830 5.7830 6.6117 6.6117 8.6166 8.6166 13.7414 13.7414 15.2205 15.2205 15.5350 15.5350 16.8500 16.8500 k =-0.0414 0.0522 0.8046 ( 1782 PWs) bands (ev): -17.0090 -17.0090 -12.0769 -12.0769 -5.9761 -5.9761 -4.1331 -4.1331 -2.6635 -2.6635 -1.5053 -1.5053 3.1591 3.1591 5.5306 5.5306 5.7654 5.7654 6.6318 6.6318 8.6181 8.6181 13.7382 13.7382 15.2085 15.2085 15.5663 15.5663 16.8518 16.8518 k =-0.0497 0.0626 0.8046 ( 1786 PWs) bands (ev): -17.0098 -17.0098 -12.0793 -12.0793 -5.9819 -5.9819 -4.1243 -4.1243 -2.6493 -2.6493 -1.5024 -1.5024 3.1618 3.1618 5.5113 5.5113 5.7463 5.7463 6.6562 6.6562 8.6200 8.6200 13.7341 13.7341 15.1939 15.1939 15.6036 15.6036 16.8540 16.8540 k =-0.0579 0.0731 0.8046 ( 1788 PWs) bands (ev): -17.0108 -17.0108 -12.0821 -12.0821 -5.9888 -5.9888 -4.1140 -4.1140 -2.6327 -2.6327 -1.4988 -1.4988 3.1649 3.1649 5.4863 5.4863 5.7268 5.7268 6.6849 6.6849 8.6222 8.6222 13.7294 13.7294 15.1770 15.1770 15.6464 15.6464 16.8565 16.8565 k =-0.0662 0.0835 0.8046 ( 1792 PWs) bands (ev): -17.0119 -17.0119 -12.0851 -12.0851 -5.9966 -5.9966 -4.1024 -4.1024 -2.6137 -2.6137 -1.4946 -1.4946 3.1685 3.1685 5.4550 5.4550 5.7081 5.7081 6.7176 6.7176 8.6248 8.6248 13.7240 13.7240 15.1579 15.1579 15.6941 15.6941 16.8594 16.8594 k =-0.0745 0.0939 0.8046 ( 1792 PWs) bands (ev): -17.0132 -17.0132 -12.0884 -12.0884 -6.0055 -6.0055 -4.0894 -4.0894 -2.5926 -2.5926 -1.4897 -1.4897 3.1726 3.1726 5.4173 5.4173 5.6907 5.6907 6.7543 6.7543 8.6277 8.6277 13.7178 13.7178 15.1369 15.1369 15.7459 15.7459 16.8626 16.8626 k =-0.0828 0.1044 0.8046 ( 1794 PWs) bands (ev): -17.0146 -17.0146 -12.0919 -12.0919 -6.0153 -6.0153 -4.0752 -4.0752 -2.5693 -2.5693 -1.4842 -1.4842 3.1771 3.1771 5.3735 5.3735 5.6750 5.6750 6.7948 6.7948 8.6308 8.6308 13.7110 13.7110 15.1141 15.1141 15.8011 15.8011 16.8655 16.8655 k =-0.0910 0.1148 0.8046 ( 1796 PWs) bands (ev): -17.0162 -17.0162 -12.0956 -12.0956 -6.0260 -6.0260 -4.0598 -4.0598 -2.5441 -2.5441 -1.4779 -1.4779 3.1820 3.1820 5.3242 5.3242 5.6608 5.6608 6.8390 6.8390 8.6343 8.6343 13.7034 13.7034 15.0898 15.0898 15.8587 15.8587 16.8653 16.8653 k =-0.0993 0.1252 0.8046 ( 1796 PWs) bands (ev): -17.0181 -17.0181 -12.0993 -12.0993 -6.0376 -6.0376 -4.0434 -4.0434 -2.5171 -2.5171 -1.4709 -1.4709 3.1874 3.1874 5.2704 5.2704 5.6478 5.6478 6.8867 6.8867 8.6381 8.6381 13.6951 13.6951 15.0643 15.0643 15.9178 15.9178 16.8041 16.8041 k =-0.1076 0.1357 0.8046 ( 1800 PWs) bands (ev): -17.0200 -17.0200 -12.1031 -12.1031 -6.0501 -6.0501 -4.0259 -4.0259 -2.4885 -2.4885 -1.4631 -1.4631 3.1931 3.1931 5.2128 5.2128 5.6358 5.6358 6.9376 6.9376 8.6421 8.6421 13.6861 13.6861 15.0379 15.0379 15.9772 15.9772 16.6518 16.6518 k =-0.1159 0.1461 0.8046 ( 1800 PWs) bands (ev): -17.0222 -17.0222 -12.1069 -12.1069 -6.0635 -6.0635 -4.0076 -4.0076 -2.4585 -2.4585 -1.4545 -1.4545 3.1993 3.1993 5.1524 5.1524 5.6245 5.6245 6.9917 6.9917 8.6464 8.6464 13.6764 13.6764 15.0109 15.0109 16.0358 16.0358 16.4897 16.4897 k =-0.1242 0.1565 0.8046 ( 1808 PWs) bands (ev): -17.0246 -17.0246 -12.1106 -12.1106 -6.0776 -6.0776 -3.9885 -3.9885 -2.4272 -2.4272 -1.4451 -1.4451 3.2059 3.2059 5.0901 5.0901 5.6137 5.6137 7.0486 7.0486 8.6509 8.6509 13.6659 13.6659 14.9835 14.9835 16.0912 16.0912 16.3251 16.3251 k =-0.1324 0.1670 0.8046 ( 1808 PWs) bands (ev): -17.0272 -17.0272 -12.1142 -12.1142 -6.0925 -6.0925 -3.9686 -3.9686 -2.3950 -2.3950 -1.4348 -1.4348 3.2128 3.2128 5.0265 5.0265 5.6033 5.6033 7.1083 7.1083 8.6557 8.6557 13.6549 13.6549 14.9561 14.9561 16.1174 16.1174 16.1844 16.1844 k =-0.1407 0.1774 0.8046 ( 1808 PWs) bands (ev): -17.0299 -17.0299 -12.1175 -12.1175 -6.1081 -6.1081 -3.9482 -3.9482 -2.3619 -2.3619 -1.4238 -1.4238 3.2201 3.2201 4.9626 4.9626 5.5931 5.5931 7.1703 7.1703 8.6607 8.6607 13.6432 13.6432 14.9291 14.9291 15.9744 15.9744 16.2073 16.2073 k =-0.1490 0.1878 0.8046 ( 1796 PWs) bands (ev): -17.0329 -17.0329 -12.1206 -12.1206 -6.1243 -6.1243 -3.9272 -3.9272 -2.3283 -2.3283 -1.4119 -1.4119 3.2277 3.2277 4.8989 4.8989 5.5831 5.5831 7.2345 7.2345 8.6660 8.6660 13.6309 13.6309 14.9028 14.9028 15.8043 15.8043 16.2514 16.2514 k =-0.1573 0.1983 0.8046 ( 1796 PWs) bands (ev): -17.0361 -17.0361 -12.1234 -12.1234 -6.1412 -6.1412 -3.9058 -3.9058 -2.2944 -2.2944 -1.3993 -1.3993 3.2356 3.2356 4.8361 4.8361 5.5732 5.5732 7.3005 7.3005 8.6713 8.6713 13.6180 13.6180 14.8775 14.8775 15.6318 15.6318 16.2913 16.2913 k =-0.1573 0.1983 0.8046 ( 1796 PWs) bands (ev): -17.0361 -17.0361 -12.1234 -12.1234 -6.1412 -6.1412 -3.9058 -3.9058 -2.2944 -2.2944 -1.3993 -1.3993 3.2356 3.2356 4.8361 4.8361 5.5732 5.5732 7.3005 7.3005 8.6713 8.6713 13.6180 13.6180 14.8775 14.8775 15.6318 15.6318 16.2913 16.2913 k =-0.1632 0.2057 0.7951 ( 1802 PWs) bands (ev): -17.0385 -17.0385 -12.1252 -12.1252 -6.1534 -6.1534 -3.8897 -3.8897 -2.2696 -2.2696 -1.3900 -1.3900 3.2413 3.2413 4.7920 4.7920 5.5646 5.5646 7.3490 7.3490 8.6755 8.6755 13.6085 13.6085 14.8599 14.8599 15.5080 15.5080 16.3173 16.3173 k =-0.1691 0.2132 0.7856 ( 1800 PWs) bands (ev): -17.0412 -17.0412 -12.1271 -12.1271 -6.1654 -6.1654 -3.8726 -3.8726 -2.2439 -2.2439 -1.3806 -1.3806 3.2467 3.2467 4.7484 4.7484 5.5529 5.5529 7.3986 7.3986 8.6800 8.6800 13.5989 13.5989 14.8424 14.8424 15.3838 15.3838 16.3426 16.3426 k =-0.1750 0.2206 0.7761 ( 1802 PWs) bands (ev): -17.0440 -17.0440 -12.1290 -12.1290 -6.1773 -6.1773 -3.8545 -3.8545 -2.2174 -2.2174 -1.3710 -1.3710 3.2519 3.2519 4.7057 4.7057 5.5380 5.5380 7.4493 7.4493 8.6849 8.6849 13.5892 13.5892 14.8249 14.8249 15.2600 15.2600 16.3669 16.3669 k =-0.1809 0.2281 0.7666 ( 1807 PWs) bands (ev): -17.0470 -17.0470 -12.1309 -12.1309 -6.1890 -6.1890 -3.8354 -3.8354 -2.1902 -2.1902 -1.3614 -1.3614 3.2568 3.2568 4.6641 4.6641 5.5199 5.5199 7.5009 7.5009 8.6902 8.6902 13.5793 13.5793 14.8075 14.8075 15.1373 15.1373 16.3900 16.3900 k =-0.1868 0.2355 0.7571 ( 1813 PWs) bands (ev): -17.0501 -17.0501 -12.1329 -12.1329 -6.2005 -6.2005 -3.8155 -3.8155 -2.1626 -2.1626 -1.3517 -1.3517 3.2615 3.2615 4.6237 4.6237 5.4988 5.4988 7.5533 7.5533 8.6956 8.6956 13.5694 13.5694 14.7901 14.7901 15.0165 15.0165 16.4119 16.4119 k =-0.1927 0.2430 0.7476 ( 1810 PWs) bands (ev): -17.0534 -17.0534 -12.1348 -12.1348 -6.2117 -6.2117 -3.7948 -3.7948 -2.1345 -2.1345 -1.3421 -1.3421 3.2659 3.2659 4.5848 4.5848 5.4746 5.4746 7.6063 7.6063 8.7013 8.7013 13.5594 13.5594 14.7721 14.7721 14.8985 14.8985 16.4324 16.4324 k =-0.1986 0.2504 0.7381 ( 1807 PWs) bands (ev): -17.0567 -17.0567 -12.1367 -12.1367 -6.2226 -6.2226 -3.7735 -3.7735 -2.1062 -2.1062 -1.3326 -1.3326 3.2701 3.2701 4.5476 4.5476 5.4475 5.4475 7.6597 7.6597 8.7070 8.7070 13.5494 13.5494 14.7473 14.7473 14.7901 14.7901 16.4515 16.4515 k =-0.2045 0.2579 0.7286 ( 1805 PWs) bands (ev): -17.0601 -17.0601 -12.1386 -12.1386 -6.2333 -6.2333 -3.7517 -3.7517 -2.0778 -2.0778 -1.3231 -1.3231 3.2741 3.2741 4.5124 4.5124 5.4175 5.4175 7.7134 7.7134 8.7128 8.7128 13.5393 13.5393 14.6611 14.6611 14.7467 14.7467 16.4689 16.4689 k =-0.2104 0.2653 0.7190 ( 1807 PWs) bands (ev): -17.0636 -17.0636 -12.1405 -12.1405 -6.2437 -6.2437 -3.7295 -3.7295 -2.0494 -2.0494 -1.3139 -1.3139 3.2779 3.2779 4.4794 4.4794 5.3848 5.3848 7.7672 7.7672 8.7184 8.7184 13.5291 13.5291 14.5532 14.5532 14.7285 14.7285 16.4847 16.4847 k =-0.2164 0.2728 0.7095 ( 1809 PWs) bands (ev): -17.0670 -17.0670 -12.1423 -12.1423 -6.2537 -6.2537 -3.7070 -3.7070 -2.0210 -2.0210 -1.3050 -1.3050 3.2814 3.2814 4.4487 4.4487 5.3496 5.3496 7.8209 7.8209 8.7238 8.7238 13.5190 13.5190 14.4476 14.4476 14.7124 14.7124 16.4987 16.4987 k =-0.2223 0.2802 0.7000 ( 1811 PWs) bands (ev): -17.0705 -17.0705 -12.1441 -12.1441 -6.2633 -6.2633 -3.6845 -3.6845 -1.9929 -1.9929 -1.2964 -1.2964 3.2848 3.2848 4.4205 4.4205 5.3120 5.3120 7.8744 7.8744 8.7290 8.7290 13.5089 13.5089 14.3458 14.3458 14.6971 14.6971 16.5110 16.5110 k =-0.2282 0.2877 0.6905 ( 1809 PWs) bands (ev): -17.0739 -17.0739 -12.1459 -12.1459 -6.2726 -6.2726 -3.6620 -3.6620 -1.9652 -1.9652 -1.2882 -1.2882 3.2879 3.2879 4.3951 4.3951 5.2722 5.2722 7.9274 7.9274 8.7337 8.7337 13.4989 13.4989 14.2482 14.2482 14.6824 14.6824 16.5215 16.5215 k =-0.2341 0.2951 0.6810 ( 1809 PWs) bands (ev): -17.0772 -17.0772 -12.1476 -12.1476 -6.2814 -6.2814 -3.6397 -3.6397 -1.9379 -1.9379 -1.2806 -1.2806 3.2908 3.2908 4.3727 4.3727 5.2304 5.2304 7.9798 7.9798 8.7378 8.7378 13.4890 13.4890 14.1552 14.1552 14.6683 14.6683 16.5303 16.5303 k =-0.2400 0.3026 0.6715 ( 1806 PWs) bands (ev): -17.0805 -17.0805 -12.1493 -12.1493 -6.2898 -6.2898 -3.6177 -3.6177 -1.9111 -1.9111 -1.2735 -1.2735 3.2936 3.2936 4.3533 4.3533 5.1869 5.1869 8.0315 8.0315 8.7414 8.7414 13.4793 13.4793 14.0670 14.0670 14.6547 14.6547 16.5374 16.5374 k =-0.2459 0.3100 0.6620 ( 1806 PWs) bands (ev): -17.0837 -17.0837 -12.1509 -12.1509 -6.2978 -6.2978 -3.5963 -3.5963 -1.8849 -1.8849 -1.2670 -1.2670 3.2961 3.2961 4.3372 4.3372 5.1419 5.1419 8.0821 8.0821 8.7442 8.7442 13.4697 13.4697 13.9840 13.9840 14.6419 14.6419 16.5429 16.5429 k =-0.2518 0.3175 0.6525 ( 1804 PWs) bands (ev): -17.0867 -17.0867 -12.1524 -12.1524 -6.3053 -6.3053 -3.5755 -3.5755 -1.8595 -1.8595 -1.2613 -1.2613 3.2985 3.2985 4.3245 4.3245 5.0956 5.0956 8.1316 8.1316 8.7460 8.7460 13.4603 13.4603 13.9061 13.9061 14.6297 14.6297 16.5468 16.5468 k =-0.2577 0.3249 0.6430 ( 1804 PWs) bands (ev): -17.0896 -17.0896 -12.1539 -12.1539 -6.3123 -6.3123 -3.5555 -3.5555 -1.8350 -1.8350 -1.2563 -1.2563 3.3007 3.3007 4.3154 4.3154 5.0484 5.0484 8.1798 8.1798 8.7469 8.7469 13.4512 13.4512 13.8337 13.8337 14.6183 14.6183 16.5493 16.5493 k =-0.2636 0.3324 0.6335 ( 1809 PWs) bands (ev): -17.0924 -17.0924 -12.1552 -12.1552 -6.3188 -6.3188 -3.5365 -3.5365 -1.8115 -1.8115 -1.2522 -1.2522 3.3027 3.3027 4.3097 4.3097 5.0005 5.0005 8.2264 8.2264 8.7467 8.7467 13.4424 13.4424 13.7668 13.7668 14.6075 14.6075 16.5504 16.5504 k =-0.2695 0.3398 0.6239 ( 1811 PWs) bands (ev): -17.0950 -17.0950 -12.1565 -12.1565 -6.3248 -6.3248 -3.5186 -3.5186 -1.7892 -1.7892 -1.2488 -1.2488 3.3045 3.3045 4.3078 4.3078 4.9522 4.9522 8.2714 8.2714 8.7452 8.7452 13.4339 13.4339 13.7056 13.7056 14.5976 14.5976 16.5503 16.5503 k =-0.2754 0.3473 0.6144 ( 1805 PWs) bands (ev): -17.0973 -17.0973 -12.1577 -12.1577 -6.3303 -6.3303 -3.5019 -3.5019 -1.7681 -1.7681 -1.2461 -1.2461 3.3061 3.3061 4.3095 4.3095 4.9040 4.9040 8.3145 8.3145 8.7424 8.7424 13.4258 13.4258 13.6502 13.6502 14.5886 14.5886 16.5491 16.5491 k =-0.2814 0.3547 0.6049 ( 1805 PWs) bands (ev): -17.0995 -17.0995 -12.1588 -12.1588 -6.3353 -6.3353 -3.4866 -3.4866 -1.7484 -1.7484 -1.2442 -1.2442 3.3076 3.3076 4.3148 4.3148 4.8560 4.8560 8.3556 8.3556 8.7381 8.7381 13.4181 13.4181 13.6007 13.6007 14.5804 14.5804 16.5471 16.5471 k =-0.2873 0.3622 0.5954 ( 1805 PWs) bands (ev): -17.1015 -17.1015 -12.1597 -12.1597 -6.3396 -6.3396 -3.4728 -3.4728 -1.7304 -1.7304 -1.2430 -1.2430 3.3089 3.3089 4.3238 4.3238 4.8087 4.8087 8.3945 8.3945 8.7324 8.7324 13.4108 13.4108 13.5573 13.5573 14.5730 14.5730 16.5443 16.5443 k =-0.2932 0.3696 0.5859 ( 1807 PWs) bands (ev): -17.1032 -17.1032 -12.1606 -12.1606 -6.3435 -6.3435 -3.4606 -3.4606 -1.7142 -1.7142 -1.2423 -1.2423 3.3100 3.3100 4.3362 4.3362 4.7625 4.7625 8.4309 8.4309 8.7251 8.7251 13.4037 13.4037 13.5201 13.5201 14.5666 14.5666 16.5410 16.5410 k =-0.2991 0.3771 0.5764 ( 1804 PWs) bands (ev): -17.1046 -17.1046 -12.1613 -12.1613 -6.3467 -6.3467 -3.4501 -3.4501 -1.6999 -1.6999 -1.2421 -1.2421 3.3110 3.3110 4.3518 4.3518 4.7179 4.7179 8.4648 8.4648 8.7163 8.7163 13.3969 13.3969 13.4894 13.4894 14.5612 14.5612 16.5376 16.5376 k =-0.3050 0.3845 0.5669 ( 1804 PWs) bands (ev): -17.1059 -17.1059 -12.1619 -12.1619 -6.3494 -6.3494 -3.4414 -3.4414 -1.6880 -1.6880 -1.2422 -1.2422 3.3118 3.3118 4.3703 4.3703 4.6754 4.6754 8.4955 8.4955 8.7063 8.7063 13.3901 13.3901 13.4652 13.4652 14.5567 14.5567 16.5344 16.5344 k =-0.3109 0.3920 0.5574 ( 1808 PWs) bands (ev): -17.1068 -17.1068 -12.1623 -12.1623 -6.3515 -6.3515 -3.4346 -3.4346 -1.6784 -1.6784 -1.2424 -1.2424 3.3124 3.3124 4.3908 4.3908 4.6360 4.6360 8.5227 8.5227 8.6954 8.6954 13.3837 13.3837 13.4476 13.4476 14.5532 14.5532 16.5315 16.5315 k =-0.3168 0.3994 0.5479 ( 1806 PWs) bands (ev): -17.1075 -17.1075 -12.1627 -12.1627 -6.3529 -6.3529 -3.4297 -3.4297 -1.6714 -1.6714 -1.2427 -1.2427 3.3128 3.3128 4.4118 4.4118 4.6014 4.6014 8.5452 8.5452 8.6847 8.6847 13.3780 13.3780 13.4360 13.4360 14.5507 14.5507 16.5292 16.5292 k =-0.3227 0.4069 0.5384 ( 1800 PWs) bands (ev): -17.1079 -17.1079 -12.1629 -12.1629 -6.3538 -6.3538 -3.4267 -3.4267 -1.6672 -1.6672 -1.2429 -1.2429 3.3131 3.3131 4.4297 4.4297 4.5753 4.5753 8.5610 8.5610 8.6760 8.6760 13.3741 13.3741 13.4296 13.4296 14.5492 14.5492 16.5278 16.5278 k =-0.3286 0.4143 0.5289 ( 1800 PWs) bands (ev): -17.1080 -17.1080 -12.1629 -12.1629 -6.3541 -6.3541 -3.4257 -3.4257 -1.6657 -1.6657 -1.2430 -1.2430 3.3132 3.3132 4.4375 4.4375 4.5648 4.5648 8.5668 8.5668 8.6725 8.6725 13.3727 13.3727 13.4276 13.4276 14.5487 14.5487 16.5274 16.5274 k =-0.3286 0.4143 0.5289 ( 1800 PWs) bands (ev): -17.1080 -17.1080 -12.1629 -12.1629 -6.3541 -6.3541 -3.4257 -3.4257 -1.6657 -1.6657 -1.2430 -1.2430 3.3132 3.3132 4.4375 4.4375 4.5648 4.5648 8.5668 8.5668 8.6725 8.6725 13.3727 13.3727 13.4276 13.4276 14.5487 14.5487 16.5274 16.5274 k =-0.3227 0.4068 0.5192 ( 1802 PWs) bands (ev): -17.1053 -17.1053 -12.1709 -12.1709 -6.3306 -6.3306 -3.4270 -3.4270 -1.6592 -1.6592 -1.2498 -1.2498 3.2974 3.2974 4.4057 4.4057 4.5304 4.5304 8.5444 8.5444 8.6569 8.6569 13.3998 13.3998 13.5330 13.5330 14.5048 14.5048 16.5202 16.5202 k =-0.3167 0.3993 0.5096 ( 1802 PWs) bands (ev): -17.1030 -17.1030 -12.1782 -12.1782 -6.3068 -6.3068 -3.4284 -3.4284 -1.6530 -1.6530 -1.2561 -1.2561 3.2812 3.2812 4.3758 4.3758 4.4979 4.4979 8.5212 8.5212 8.6406 8.6406 13.4131 13.4131 13.6503 13.6503 14.4655 14.4655 16.5011 16.5011 k =-0.3107 0.3917 0.5000 ( 1802 PWs) bands (ev): -17.1012 -17.1012 -12.1848 -12.1848 -6.2827 -6.2827 -3.4299 -3.4299 -1.6472 -1.6472 -1.2619 -1.2619 3.2645 3.2645 4.3478 4.3478 4.4674 4.4674 8.4972 8.4972 8.6236 8.6236 13.4255 13.4255 13.7660 13.7660 14.4308 14.4308 16.4781 16.4781 k =-0.3047 0.3842 0.4904 ( 1802 PWs) bands (ev): -17.0998 -17.0998 -12.1907 -12.1907 -6.2583 -6.2583 -3.4316 -3.4316 -1.6418 -1.6418 -1.2673 -1.2673 3.2474 3.2474 4.3218 4.3218 4.4391 4.4391 8.4726 8.4726 8.6058 8.6058 13.4380 13.4380 13.8782 13.8782 14.4006 14.4006 16.4543 16.4543 k =-0.2988 0.3767 0.4808 ( 1806 PWs) bands (ev): -17.0989 -17.0989 -12.1959 -12.1959 -6.2337 -6.2337 -3.4334 -3.4334 -1.6370 -1.6370 -1.2722 -1.2722 3.2299 3.2299 4.2980 4.2980 4.4131 4.4131 8.4472 8.4472 8.5874 8.5874 13.4511 13.4511 13.9856 13.9856 14.3748 14.3748 16.4313 16.4313 k =-0.2928 0.3691 0.4712 ( 1802 PWs) bands (ev): -17.0985 -17.0985 -12.2002 -12.2002 -6.2090 -6.2090 -3.4354 -3.4354 -1.6326 -1.6326 -1.2766 -1.2766 3.2121 3.2121 4.2766 4.2766 4.3895 4.3895 8.4213 8.4213 8.5683 8.5683 13.4650 13.4650 14.0872 14.0872 14.3534 14.3534 16.4096 16.4096 k =-0.2868 0.3616 0.4615 ( 1802 PWs) bands (ev): -17.0987 -17.0987 -12.2036 -12.2036 -6.1842 -6.1842 -3.4375 -3.4375 -1.6288 -1.6288 -1.2806 -1.2806 3.1939 3.1939 4.2575 4.2575 4.3685 4.3685 8.3949 8.3949 8.5485 8.5485 13.4796 13.4796 14.1819 14.1819 14.3367 14.3367 16.3896 16.3896 k =-0.2808 0.3541 0.4519 ( 1802 PWs) bands (ev): -17.0994 -17.0994 -12.2062 -12.2062 -6.1593 -6.1593 -3.4397 -3.4397 -1.6254 -1.6254 -1.2842 -1.2842 3.1754 3.1754 4.2409 4.2409 4.3501 4.3501 8.3680 8.3680 8.5282 8.5282 13.4951 13.4951 14.2663 14.2663 14.3270 14.3270 16.3715 16.3715 k =-0.2749 0.3465 0.4423 ( 1806 PWs) bands (ev): -17.1007 -17.1007 -12.2079 -12.2079 -6.1344 -6.1344 -3.4421 -3.4421 -1.6225 -1.6225 -1.2875 -1.2875 3.1567 3.1567 4.2268 4.2268 4.3344 4.3344 8.3408 8.3408 8.5072 8.5072 13.5114 13.5114 14.3042 14.3042 14.3596 14.3596 16.3553 16.3553 k =-0.2689 0.3390 0.4327 ( 1806 PWs) bands (ev): -17.1026 -17.1026 -12.2086 -12.2086 -6.1096 -6.1096 -3.4446 -3.4446 -1.6200 -1.6200 -1.2905 -1.2905 3.1378 3.1378 4.2154 4.2154 4.3215 4.3215 8.3133 8.3133 8.4856 8.4856 13.5286 13.5286 14.3024 14.3024 14.4268 14.4268 16.3410 16.3410 k =-0.2629 0.3315 0.4231 ( 1804 PWs) bands (ev): -17.1051 -17.1051 -12.2084 -12.2084 -6.0848 -6.0848 -3.4472 -3.4472 -1.6179 -1.6179 -1.2933 -1.2933 3.1187 3.1187 4.2066 4.2066 4.3115 4.3115 8.2856 8.2856 8.4636 8.4636 13.5467 13.5467 14.3012 14.3012 14.4878 14.4878 16.3288 16.3288 k =-0.2569 0.3239 0.4135 ( 1794 PWs) bands (ev): -17.1081 -17.1081 -12.2072 -12.2072 -6.0602 -6.0602 -3.4499 -3.4499 -1.6161 -1.6161 -1.2960 -1.2960 3.0995 3.0995 4.2005 4.2005 4.3044 4.3044 8.2579 8.2579 8.4410 8.4410 13.5655 13.5655 14.3032 14.3032 14.5393 14.5393 16.3186 16.3186 k =-0.2510 0.3164 0.4039 ( 1790 PWs) bands (ev): -17.1118 -17.1118 -12.2050 -12.2050 -6.0357 -6.0357 -3.4527 -3.4527 -1.6145 -1.6145 -1.2987 -1.2987 3.0801 3.0801 4.1972 4.1972 4.3002 4.3002 8.2301 8.2301 8.4180 8.4180 13.5850 13.5850 14.3086 14.3086 14.5805 14.5805 16.3103 16.3103 k =-0.2450 0.3089 0.3942 ( 1790 PWs) bands (ev): -17.1160 -17.1160 -12.2019 -12.2019 -6.0115 -6.0115 -3.4556 -3.4556 -1.6132 -1.6132 -1.3013 -1.3013 3.0608 3.0608 4.1966 4.1966 4.2989 4.2989 8.2025 8.2025 8.3945 8.3945 13.6051 13.6051 14.3175 14.3175 14.6110 14.6110 16.3040 16.3040 k =-0.2390 0.3013 0.3846 ( 1792 PWs) bands (ev): -17.1208 -17.1208 -12.1979 -12.1979 -5.9876 -5.9876 -3.4586 -3.4586 -1.6120 -1.6120 -1.3041 -1.3041 3.0414 3.0414 4.1989 4.1989 4.3006 4.3006 8.1750 8.1750 8.3707 8.3707 13.6257 13.6257 14.3300 14.3300 14.6306 14.6306 16.2995 16.2995 k =-0.2330 0.2938 0.3750 ( 1788 PWs) bands (ev): -17.1261 -17.1261 -12.1929 -12.1929 -5.9640 -5.9640 -3.4616 -3.4616 -1.6109 -1.6109 -1.3070 -1.3070 3.0221 3.0221 4.2039 4.2039 4.3052 4.3052 8.1478 8.1478 8.3465 8.3465 13.6465 13.6465 14.3462 14.3462 14.6392 14.6392 16.2968 16.2968 k =-0.2271 0.2863 0.3654 ( 1788 PWs) bands (ev): -17.1319 -17.1319 -12.1870 -12.1870 -5.9407 -5.9407 -3.4647 -3.4647 -1.6098 -1.6098 -1.3102 -1.3102 3.0028 3.0028 4.2116 4.2116 4.3127 4.3127 8.1210 8.1210 8.3221 8.3221 13.6675 13.6675 14.3661 14.3661 14.6370 14.6370 16.2956 16.2956 k =-0.2211 0.2787 0.3558 ( 1792 PWs) bands (ev): -17.1383 -17.1383 -12.1802 -12.1802 -5.9179 -5.9179 -3.4679 -3.4679 -1.6087 -1.6087 -1.3136 -1.3136 2.9836 2.9836 4.2221 4.2221 4.3231 4.3231 8.0946 8.0946 8.2975 8.2975 13.6884 13.6884 14.3897 14.3897 14.6242 14.6242 16.2959 16.2959 k =-0.2151 0.2712 0.3462 ( 1792 PWs) bands (ev): -17.1452 -17.1452 -12.1726 -12.1726 -5.8955 -5.8955 -3.4711 -3.4711 -1.6075 -1.6075 -1.3172 -1.3172 2.9646 2.9646 4.2353 4.2353 4.3363 4.3363 8.0687 8.0687 8.2727 8.2727 13.7090 13.7090 14.4169 14.4169 14.6012 14.6012 16.2973 16.2973 k =-0.2091 0.2637 0.3365 ( 1788 PWs) bands (ev): -17.1525 -17.1525 -12.1642 -12.1642 -5.8736 -5.8736 -3.4742 -3.4742 -1.6062 -1.6062 -1.3213 -1.3213 2.9458 2.9458 4.2512 4.2512 4.3522 4.3522 8.0434 8.0434 8.2478 8.2478 13.7293 13.7293 14.4475 14.4475 14.5687 14.5687 16.2991 16.2991 k =-0.2032 0.2561 0.3269 ( 1784 PWs) bands (ev): -17.1602 -17.1602 -12.1550 -12.1550 -5.8521 -5.8521 -3.4774 -3.4774 -1.6047 -1.6047 -1.3256 -1.3256 2.9271 2.9271 4.2697 4.2697 4.3709 4.3709 8.0188 8.0188 8.2228 8.2228 13.7490 13.7490 14.4796 14.4796 14.5295 14.5295 16.3001 16.3001 k =-0.1972 0.2486 0.3173 ( 1784 PWs) bands (ev): -17.1684 -17.1684 -12.1450 -12.1450 -5.8313 -5.8313 -3.4806 -3.4806 -1.6030 -1.6030 -1.3303 -1.3303 2.9087 2.9087 4.2907 4.2907 4.3921 4.3921 7.9950 7.9950 8.1978 8.1978 13.7681 13.7681 14.4693 14.4693 14.5276 14.5276 16.2969 16.2969 k =-0.1912 0.2411 0.3077 ( 1796 PWs) bands (ev): -17.1769 -17.1769 -12.1345 -12.1345 -5.8110 -5.8110 -3.4838 -3.4838 -1.6011 -1.6011 -1.3353 -1.3353 2.8905 2.8905 4.3141 4.3141 4.4158 4.4158 7.9719 7.9719 8.1729 8.1729 13.7864 13.7864 14.4130 14.4130 14.5676 14.5676 16.2831 16.2831 k =-0.1852 0.2335 0.2981 ( 1796 PWs) bands (ev): -17.1857 -17.1857 -12.1232 -12.1232 -5.7913 -5.7913 -3.4869 -3.4869 -1.5990 -1.5990 -1.3407 -1.3407 2.8726 2.8726 4.3399 4.3399 4.4419 4.4419 7.9496 7.9496 8.1481 8.1481 13.8039 13.8039 14.3474 14.3474 14.6132 14.6132 16.2541 16.2541 k =-0.1793 0.2260 0.2885 ( 1796 PWs) bands (ev): -17.1948 -17.1948 -12.1115 -12.1115 -5.7723 -5.7723 -3.4899 -3.4899 -1.5966 -1.5966 -1.3464 -1.3464 2.8550 2.8550 4.3680 4.3680 4.4703 4.4703 7.9282 7.9282 8.1235 8.1235 13.8206 13.8206 14.2751 14.2751 14.6628 14.6628 16.2122 16.2122 k =-0.1733 0.2185 0.2788 ( 1800 PWs) bands (ev): -17.2041 -17.2041 -12.0992 -12.0992 -5.7539 -5.7539 -3.4929 -3.4929 -1.5940 -1.5940 -1.3523 -1.3523 2.8378 2.8378 4.3982 4.3982 4.5007 4.5007 7.9078 7.9078 8.0990 8.0990 13.8365 13.8365 14.1969 14.1969 14.7159 14.7159 16.1591 16.1591 k =-0.1673 0.2109 0.2692 ( 1804 PWs) bands (ev): -17.2137 -17.2137 -12.0865 -12.0865 -5.7362 -5.7362 -3.4958 -3.4958 -1.5911 -1.5911 -1.3586 -1.3586 2.8209 2.8209 4.4304 4.4304 4.5332 4.5332 7.8883 7.8883 8.0749 8.0749 13.8515 13.8515 14.1138 14.1138 14.7723 14.7723 16.0942 16.0942 k =-0.1613 0.2034 0.2596 ( 1800 PWs) bands (ev): -17.2234 -17.2234 -12.0734 -12.0734 -5.7192 -5.7192 -3.4985 -3.4985 -1.5880 -1.5880 -1.3650 -1.3650 2.8043 2.8043 4.4645 4.4645 4.5675 4.5675 7.8698 7.8698 8.0510 8.0510 13.8657 13.8657 14.0267 14.0267 14.8319 14.8319 16.0158 16.0158 k =-0.1554 0.1959 0.2500 ( 1802 PWs) bands (ev): -17.2332 -17.2332 -12.0601 -12.0601 -5.7029 -5.7029 -3.5012 -3.5012 -1.5846 -1.5846 -1.3717 -1.3717 2.7882 2.7882 4.5003 4.5003 4.6034 4.6034 7.8523 7.8523 8.0276 8.0276 13.8787 13.8787 13.9365 13.9365 14.8944 14.8944 15.9229 15.9229 k =-0.1494 0.1883 0.2404 ( 1806 PWs) bands (ev): -17.2431 -17.2431 -12.0465 -12.0465 -5.6873 -5.6873 -3.5038 -3.5038 -1.5810 -1.5810 -1.3785 -1.3785 2.7725 2.7725 4.5376 4.5376 4.6408 4.6408 7.8357 7.8357 8.0046 8.0046 13.8417 13.8417 13.8928 13.8928 14.9597 14.9597 15.8158 15.8158 k =-0.1434 0.1808 0.2308 ( 1806 PWs) bands (ev): -17.2530 -17.2530 -12.0327 -12.0327 -5.6724 -5.6724 -3.5063 -3.5063 -1.5771 -1.5771 -1.3854 -1.3854 2.7572 2.7572 4.5763 4.5763 4.6796 4.6796 7.8202 7.8202 7.9821 7.9821 13.7471 13.7471 13.9043 13.9043 15.0276 15.0276 15.6971 15.6971 k =-0.1374 0.1733 0.2212 ( 1794 PWs) bands (ev): -17.2629 -17.2629 -12.0188 -12.0188 -5.6582 -5.6582 -3.5086 -3.5086 -1.5731 -1.5731 -1.3924 -1.3924 2.7423 2.7423 4.6161 4.6161 4.7194 4.7194 7.8057 7.8057 7.9601 7.9601 13.6508 13.6508 13.9155 13.9155 15.0980 15.0980 15.5698 15.5698 k =-0.1315 0.1657 0.2115 ( 1794 PWs) bands (ev): -17.2728 -17.2728 -12.0050 -12.0050 -5.6447 -5.6447 -3.5108 -3.5108 -1.5688 -1.5688 -1.3994 -1.3994 2.7280 2.7280 4.6568 4.6568 4.7602 4.7602 7.7922 7.7922 7.9387 7.9387 13.5539 13.5539 13.9261 13.9261 15.1704 15.1704 15.4373 15.4373 k =-0.1255 0.1582 0.2019 ( 1790 PWs) bands (ev): -17.2825 -17.2825 -11.9911 -11.9911 -5.6320 -5.6320 -3.5129 -3.5129 -1.5644 -1.5644 -1.4064 -1.4064 2.7141 2.7141 4.6983 4.6983 4.8017 4.8017 7.7797 7.7797 7.9180 7.9180 13.4570 13.4570 13.9361 13.9361 15.2440 15.2440 15.3032 15.3032 k =-0.1195 0.1507 0.1923 ( 1778 PWs) bands (ev): -17.2921 -17.2921 -11.9774 -11.9774 -5.6200 -5.6200 -3.5148 -3.5148 -1.5599 -1.5599 -1.4133 -1.4133 2.7007 2.7007 4.7402 4.7402 4.8437 4.8437 7.7682 7.7682 7.8979 7.8979 13.3608 13.3608 13.9455 13.9455 15.1655 15.1655 15.3227 15.3227 k =-0.1135 0.1431 0.1827 ( 1778 PWs) bands (ev): -17.3015 -17.3015 -11.9639 -11.9639 -5.6087 -5.6087 -3.5167 -3.5167 -1.5552 -1.5552 -1.4201 -1.4201 2.6879 2.6879 4.7824 4.7824 4.8860 4.8860 7.7575 7.7575 7.8785 7.8785 13.2657 13.2657 13.9543 13.9543 15.0315 15.0315 15.4007 15.4007 k =-0.1076 0.1356 0.1731 ( 1776 PWs) bands (ev): -17.3107 -17.3107 -11.9506 -11.9506 -5.5981 -5.5981 -3.5183 -3.5183 -1.5505 -1.5505 -1.4268 -1.4268 2.6756 2.6756 4.8245 4.8245 4.9284 4.9284 7.7478 7.7478 7.8600 7.8600 13.1725 13.1725 13.9626 13.9626 14.8997 14.8997 15.4805 15.4805 k =-0.1016 0.1281 0.1635 ( 1772 PWs) bands (ev): -17.3196 -17.3196 -11.9377 -11.9377 -5.5881 -5.5881 -3.5199 -3.5199 -1.5457 -1.5457 -1.4333 -1.4333 2.6639 2.6639 4.8664 4.8664 4.9706 4.9706 7.7389 7.7389 7.8422 7.8422 13.0814 13.0814 13.9703 13.9703 14.7713 14.7713 15.5616 15.5616 k =-0.0956 0.1205 0.1538 ( 1768 PWs) bands (ev): -17.3282 -17.3282 -11.9251 -11.9251 -5.5789 -5.5789 -3.5213 -3.5213 -1.5410 -1.5410 -1.4396 -1.4396 2.6527 2.6527 4.9077 4.9077 5.0125 5.0125 7.7308 7.7308 7.8252 7.8252 12.9930 12.9930 13.9774 13.9774 14.6471 14.6471 15.6439 15.6439 k =-0.0896 0.1130 0.1442 ( 1768 PWs) bands (ev): -17.3365 -17.3365 -11.9129 -11.9129 -5.5703 -5.5703 -3.5227 -3.5227 -1.5362 -1.5362 -1.4457 -1.4457 2.6422 2.6422 4.9481 4.9481 5.0538 5.0538 7.7235 7.7235 7.8092 7.8092 12.9078 12.9078 13.9839 13.9839 14.5278 14.5278 15.7269 15.7269 k =-0.0837 0.1055 0.1346 ( 1768 PWs) bands (ev): -17.3444 -17.3444 -11.9013 -11.9013 -5.5624 -5.5624 -3.5238 -3.5238 -1.5316 -1.5316 -1.4515 -1.4515 2.6322 2.6322 4.9874 4.9874 5.0942 5.0942 7.7169 7.7169 7.7941 7.7941 12.8261 12.8261 13.9899 13.9899 14.4141 14.4141 15.8105 15.8105 k =-0.0777 0.0979 0.1250 ( 1765 PWs) bands (ev): -17.3519 -17.3519 -11.8902 -11.8902 -5.5551 -5.5551 -3.5249 -3.5249 -1.5270 -1.5270 -1.4570 -1.4570 2.6229 2.6229 5.0253 5.0253 5.1335 5.1335 7.7109 7.7109 7.7799 7.7799 12.7484 12.7484 13.9950 13.9950 14.3064 14.3064 15.8941 15.8941 k =-0.0717 0.0904 0.1154 ( 1769 PWs) bands (ev): -17.3589 -17.3589 -11.8797 -11.8797 -5.5484 -5.5484 -3.5259 -3.5259 -1.5226 -1.5226 -1.4622 -1.4622 2.6142 2.6142 5.0616 5.0616 5.1714 5.1714 7.7055 7.7055 7.7668 7.7668 12.6749 12.6749 13.9991 13.9991 14.2057 14.2057 15.9768 15.9768 k =-0.0657 0.0829 0.1058 ( 1773 PWs) bands (ev): -17.3655 -17.3655 -11.8699 -11.8699 -5.5424 -5.5424 -3.5268 -3.5268 -1.5184 -1.5184 -1.4670 -1.4670 2.6061 2.6061 5.0960 5.0960 5.2076 5.2076 7.7007 7.7007 7.7548 7.7548 12.6060 12.6060 14.0004 14.0004 14.1138 14.1138 16.0570 16.0570 k =-0.0598 0.0753 0.0962 ( 1771 PWs) bands (ev): -17.3717 -17.3717 -11.8607 -11.8607 -5.5369 -5.5369 -3.5276 -3.5276 -1.5144 -1.5144 -1.4715 -1.4715 2.5988 2.5988 5.1282 5.1282 5.2420 5.2420 7.6964 7.6964 7.7438 7.7438 12.5420 12.5420 13.9869 13.9869 14.0435 14.0435 16.1299 16.1299 k =-0.0538 0.0678 0.0865 ( 1771 PWs) bands (ev): -17.3773 -17.3773 -11.8523 -11.8523 -5.5320 -5.5320 -3.5283 -3.5283 -1.5107 -1.5107 -1.4756 -1.4756 2.5920 2.5920 5.1580 5.1580 5.2741 5.2741 7.6924 7.6924 7.7340 7.7340 12.4833 12.4833 13.9279 13.9279 14.0255 14.0255 16.1800 16.1800 k =-0.0478 0.0603 0.0769 ( 1771 PWs) bands (ev): -17.3824 -17.3824 -11.8447 -11.8447 -5.5277 -5.5277 -3.5289 -3.5289 -1.5072 -1.5072 -1.4793 -1.4793 2.5860 2.5860 5.1853 5.1853 5.3038 5.3038 7.6888 7.6888 7.7254 7.7254 12.4300 12.4300 13.8585 13.8585 14.0251 14.0251 16.1971 16.1971 k =-0.0418 0.0527 0.0673 ( 1771 PWs) bands (ev): -17.3869 -17.3869 -11.8379 -11.8379 -5.5239 -5.5239 -3.5294 -3.5294 -1.5041 -1.5041 -1.4825 -1.4825 2.5806 2.5806 5.2099 5.2099 5.3307 5.3307 7.6854 7.6854 7.7180 7.7180 12.3824 12.3824 13.7944 13.7944 14.0268 14.0268 16.1996 16.1996 k =-0.0359 0.0452 0.0577 ( 1771 PWs) bands (ev): -17.3908 -17.3908 -11.8319 -11.8319 -5.5206 -5.5206 -3.5298 -3.5298 -1.5014 -1.5014 -1.4854 -1.4854 2.5760 2.5760 5.2315 5.2315 5.3546 5.3546 7.6823 7.6823 7.7119 7.7119 12.3406 12.3406 13.7378 13.7378 14.0289 14.0289 16.1982 16.1982 k =-0.0299 0.0377 0.0481 ( 1771 PWs) bands (ev): -17.3942 -17.3942 -11.8268 -11.8268 -5.5179 -5.5179 -3.5302 -3.5302 -1.4990 -1.4990 -1.4878 -1.4878 2.5720 2.5720 5.2500 5.2500 5.3753 5.3753 7.6794 7.6794 7.7070 7.7070 12.3050 12.3050 13.6893 13.6893 14.0308 14.0308 16.1960 16.1960 k =-0.0239 0.0301 0.0385 ( 1775 PWs) bands (ev): -17.3970 -17.3970 -11.8226 -11.8226 -5.5156 -5.5156 -3.5305 -3.5305 -1.4970 -1.4970 -1.4899 -1.4899 2.5688 2.5688 5.2654 5.2654 5.3925 5.3925 7.6769 7.6769 7.7032 7.7032 12.2757 12.2757 13.6493 13.6493 14.0324 14.0324 16.1938 16.1938 k =-0.0179 0.0226 0.0288 ( 1779 PWs) bands (ev): -17.3992 -17.3992 -11.8194 -11.8194 -5.5139 -5.5139 -3.5307 -3.5307 -1.4955 -1.4955 -1.4914 -1.4914 2.5663 2.5663 5.2774 5.2774 5.4061 5.4061 7.6747 7.6747 7.7005 7.7005 12.2527 12.2527 13.6180 13.6180 14.0337 14.0337 16.1919 16.1919 k =-0.0120 0.0151 0.0192 ( 1779 PWs) bands (ev): -17.4007 -17.4007 -11.8170 -11.8170 -5.5127 -5.5127 -3.5309 -3.5309 -1.4944 -1.4944 -1.4925 -1.4925 2.5645 2.5645 5.2861 5.2861 5.4159 5.4159 7.6731 7.6731 7.6986 7.6986 12.2362 12.2362 13.5955 13.5955 14.0347 14.0347 16.1905 16.1905 k =-0.0060 0.0075 0.0096 ( 1785 PWs) bands (ev): -17.4017 -17.4017 -11.8156 -11.8156 -5.5119 -5.5119 -3.5310 -3.5310 -1.4938 -1.4938 -1.4931 -1.4931 2.5634 2.5634 5.2913 5.2913 5.4218 5.4218 7.6720 7.6720 7.6975 7.6975 12.2263 12.2263 13.5819 13.5819 14.0352 14.0352 16.1862 16.1897 k = 0.0000 0.0000 0.0000 ( 1797 PWs) bands (ev): -17.4020 -17.4020 -11.8151 -11.8151 -5.5117 -5.5117 -3.5310 -3.5310 -1.4937 -1.4937 -1.4932 -1.4932 2.5630 2.5630 5.2930 5.2930 5.4238 5.4238 7.6717 7.6717 7.6972 7.6972 12.2230 12.2230 13.5774 13.5774 14.0354 14.0354 16.1834 16.1893 k = 0.0000 0.0000 0.0000 ( 1797 PWs) bands (ev): -17.4020 -17.4020 -11.8151 -11.8151 -5.5117 -5.5117 -3.5310 -3.5310 -1.4937 -1.4937 -1.4932 -1.4932 2.5630 2.5630 5.2930 5.2930 5.4238 5.4238 7.6717 7.6717 7.6972 7.6972 12.2230 12.2230 13.5774 13.5774 14.0354 14.0354 16.1834 16.1893 k = 0.0106 0.0084-0.0000 ( 1793 PWs) bands (ev): -17.4018 -17.4018 -11.8154 -11.8154 -5.5117 -5.5117 -3.5319 -3.5319 -1.4954 -1.4954 -1.4940 -1.4940 2.5681 2.5681 5.2928 5.2928 5.4237 5.4237 7.6732 7.6732 7.6988 7.6988 12.2211 12.2211 13.5780 13.5780 14.0234 14.0234 16.1841 16.1841 k = 0.0213 0.0169-0.0000 ( 1782 PWs) bands (ev): -17.4011 -17.4011 -11.8162 -11.8162 -5.5116 -5.5116 -3.5346 -3.5346 -1.5021 -1.5021 -1.4951 -1.4951 2.5833 2.5833 5.2922 5.2922 5.4233 5.4233 7.6780 7.6780 7.7036 7.7036 12.2156 12.2156 13.5797 13.5797 13.9886 13.9886 16.1861 16.1861 k = 0.0319 0.0253-0.0000 ( 1782 PWs) bands (ev): -17.4000 -17.4000 -11.8175 -11.8175 -5.5116 -5.5116 -3.5389 -3.5389 -1.5129 -1.5129 -1.4969 -1.4969 2.6082 2.6082 5.2911 5.2911 5.4227 5.4227 7.6859 7.6859 7.7115 7.7115 12.2065 12.2065 13.5818 13.5818 13.9340 13.9340 16.1894 16.1894 k = 0.0426 0.0337-0.0000 ( 1782 PWs) bands (ev): -17.3985 -17.3985 -11.8194 -11.8194 -5.5117 -5.5117 -3.5449 -3.5449 -1.5274 -1.5274 -1.4995 -1.4995 2.6425 2.6425 5.2897 5.2897 5.4219 5.4219 7.6968 7.6968 7.7224 7.7224 12.1940 12.1940 13.5829 13.5829 13.8646 13.8646 16.1941 16.1941 k = 0.0532 0.0422-0.0000 ( 1786 PWs) bands (ev): -17.3966 -17.3966 -11.8217 -11.8217 -5.5122 -5.5122 -3.5523 -3.5523 -1.5453 -1.5453 -1.5027 -1.5027 2.6854 2.6854 5.2879 5.2879 5.4208 5.4208 7.7107 7.7107 7.7364 7.7364 12.1780 12.1780 13.5784 13.5784 13.7888 13.7888 16.2000 16.2000 k = 0.0638 0.0506-0.0000 ( 1786 PWs) bands (ev): -17.3943 -17.3943 -11.8245 -11.8245 -5.5132 -5.5132 -3.5610 -3.5610 -1.5658 -1.5658 -1.5066 -1.5066 2.7362 2.7362 5.2858 5.2858 5.4196 5.4196 7.7275 7.7275 7.7533 7.7533 12.1589 12.1589 13.5545 13.5545 13.7239 13.7239 16.2073 16.2073 k = 0.0745 0.0591-0.0000 ( 1786 PWs) bands (ev): -17.3916 -17.3916 -11.8277 -11.8277 -5.5151 -5.5151 -3.5706 -3.5706 -1.5883 -1.5883 -1.5111 -1.5111 2.7941 2.7941 5.2834 5.2834 5.4184 5.4184 7.7471 7.7471 7.7730 7.7730 12.1368 12.1368 13.4915 13.4915 13.6927 13.6927 16.2158 16.2158 k = 0.0851 0.0675-0.0000 ( 1786 PWs) bands (ev): -17.3885 -17.3885 -11.8314 -11.8314 -5.5182 -5.5182 -3.5809 -3.5809 -1.6122 -1.6122 -1.5163 -1.5163 2.8581 2.8581 5.2809 5.2809 5.4170 5.4170 7.7693 7.7693 7.7953 7.7953 12.1119 12.1119 13.3973 13.3973 13.6899 13.6899 16.2256 16.2256 k = 0.0957 0.0759-0.0000 ( 1778 PWs) bands (ev): -17.3850 -17.3850 -11.8354 -11.8354 -5.5227 -5.5227 -3.5916 -3.5916 -1.6367 -1.6367 -1.5221 -1.5221 2.9272 2.9272 5.2782 5.2782 5.4157 5.4157 7.7940 7.7940 7.8202 7.8202 12.0845 12.0845 13.2900 13.2900 13.6996 13.6996 16.2366 16.2366 k = 0.1064 0.0844-0.0000 ( 1778 PWs) bands (ev): -17.3811 -17.3811 -11.8397 -11.8397 -5.5290 -5.5290 -3.6022 -3.6022 -1.6613 -1.6613 -1.5285 -1.5285 3.0004 3.0004 5.2754 5.2754 5.4143 5.4143 7.8210 7.8210 7.8473 7.8473 12.0548 12.0548 13.1779 13.1779 13.7153 13.7153 16.2488 16.2488 k = 0.1170 0.0928-0.0000 ( 1770 PWs) bands (ev): -17.3770 -17.3770 -11.8444 -11.8444 -5.5376 -5.5376 -3.6125 -3.6125 -1.6852 -1.6852 -1.5354 -1.5354 3.0767 3.0767 5.2726 5.2726 5.4131 5.4131 7.8502 7.8502 7.8766 7.8766 12.0231 12.0231 13.0648 13.0648 13.7349 13.7349 16.2622 16.2622 k = 0.1277 0.1012-0.0000 ( 1790 PWs) bands (ev): -17.3724 -17.3724 -11.8493 -11.8493 -5.5487 -5.5487 -3.6220 -3.6220 -1.7080 -1.7080 -1.5428 -1.5428 3.1550 3.1550 5.2698 5.2698 5.4119 5.4119 7.8813 7.8813 7.9079 7.9079 11.9896 11.9896 12.9528 12.9528 13.7574 13.7574 16.2767 16.2767 k = 0.1383 0.1097-0.0000 ( 1782 PWs) bands (ev): -17.3676 -17.3676 -11.8543 -11.8543 -5.5627 -5.5627 -3.6303 -3.6303 -1.7292 -1.7292 -1.5507 -1.5507 3.2343 3.2343 5.2671 5.2671 5.4110 5.4110 7.9142 7.9142 7.9409 7.9409 11.9546 11.9546 12.8438 12.8438 13.7825 13.7825 16.2922 16.2922 k = 0.1489 0.1181-0.0000 ( 1782 PWs) bands (ev): -17.3625 -17.3625 -11.8595 -11.8595 -5.5798 -5.5798 -3.6371 -3.6371 -1.7482 -1.7482 -1.5591 -1.5591 3.3135 3.3135 5.2646 5.2646 5.4102 5.4102 7.9486 7.9486 7.9755 7.9755 11.9183 11.9183 12.7390 12.7390 13.8098 13.8098 16.3088 16.3088 k = 0.1596 0.1266-0.0000 ( 1782 PWs) bands (ev): -17.3572 -17.3572 -11.8648 -11.8648 -5.6003 -5.6003 -3.6421 -3.6421 -1.7648 -1.7648 -1.5678 -1.5678 3.3918 3.3918 5.2622 5.2622 5.4097 5.4097 7.9844 7.9844 8.0115 8.0115 11.8810 11.8810 12.6394 12.6394 13.8393 13.8393 16.3264 16.3264 k = 0.1702 0.1350-0.0000 ( 1786 PWs) bands (ev): -17.3516 -17.3516 -11.8702 -11.8702 -5.6244 -5.6244 -3.6450 -3.6450 -1.7785 -1.7785 -1.5769 -1.5769 3.4682 3.4682 5.2601 5.2601 5.4095 5.4095 8.0214 8.0214 8.0487 8.0487 11.8429 11.8429 12.5461 12.5461 13.8707 13.8707 16.3449 16.3449 k = 0.1809 0.1434-0.0000 ( 1786 PWs) bands (ev): -17.3458 -17.3458 -11.8756 -11.8756 -5.6521 -5.6521 -3.6457 -3.6457 -1.7891 -1.7891 -1.5863 -1.5863 3.5416 3.5416 5.2582 5.2582 5.4096 5.4096 8.0594 8.0594 8.0868 8.0868 11.8042 11.8042 12.4601 12.4601 13.9041 13.9041 16.3642 16.3642 k = 0.1915 0.1519-0.0000 ( 1786 PWs) bands (ev): -17.3398 -17.3398 -11.8809 -11.8809 -5.6834 -5.6834 -3.6442 -3.6442 -1.7964 -1.7964 -1.5960 -1.5960 3.6113 3.6113 5.2566 5.2566 5.4100 5.4100 8.0980 8.0980 8.1256 8.1256 11.7652 11.7652 12.3820 12.3820 13.9392 13.9392 16.3844 16.3844 k = 0.2021 0.1603-0.0000 ( 1778 PWs) bands (ev): -17.3337 -17.3337 -11.8861 -11.8861 -5.7181 -5.7181 -3.6404 -3.6404 -1.8002 -1.8002 -1.6058 -1.6058 3.6765 3.6765 5.2553 5.2553 5.4108 5.4108 8.1373 8.1373 8.1650 8.1650 11.7260 11.7260 12.3128 12.3128 13.9761 13.9761 16.4053 16.4053 k = 0.2128 0.1687-0.0000 ( 1778 PWs) bands (ev): -17.3274 -17.3274 -11.8913 -11.8913 -5.7561 -5.7561 -3.6345 -3.6345 -1.8004 -1.8004 -1.6159 -1.6159 3.7364 3.7364 5.2543 5.2543 5.4119 5.4119 8.1769 8.1769 8.2047 8.2047 11.6868 11.6868 12.2529 12.2529 14.0145 14.0145 16.4269 16.4269 k = 0.2234 0.1772-0.0000 ( 1778 PWs) bands (ev): -17.3210 -17.3210 -11.8963 -11.8963 -5.7971 -5.7971 -3.6267 -3.6267 -1.7967 -1.7967 -1.6261 -1.6261 3.7904 3.7904 5.2535 5.2535 5.4133 5.4133 8.2166 8.2166 8.2446 8.2446 11.6479 11.6479 12.2029 12.2029 14.0545 14.0545 16.4491 16.4491 k = 0.2340 0.1856-0.0000 ( 1778 PWs) bands (ev): -17.3145 -17.3145 -11.9010 -11.9010 -5.8408 -5.8408 -3.6172 -3.6172 -1.7892 -1.7892 -1.6363 -1.6363 3.8379 3.8379 5.2531 5.2531 5.4151 5.4151 8.2563 8.2563 8.2844 8.2844 11.6093 11.6093 12.1635 12.1635 14.0958 14.0958 16.4719 16.4719 k = 0.2447 0.1941-0.0000 ( 1782 PWs) bands (ev): -17.3080 -17.3080 -11.9056 -11.9056 -5.8868 -5.8868 -3.6063 -3.6063 -1.7778 -1.7778 -1.6466 -1.6466 3.8785 3.8785 5.2528 5.2528 5.4172 5.4172 8.2958 8.2958 8.3240 8.3240 11.5713 11.5713 12.1347 12.1347 14.1383 14.1383 16.4950 16.4950 k = 0.2553 0.2025-0.0000 ( 1782 PWs) bands (ev): -17.3015 -17.3015 -11.9100 -11.9100 -5.9347 -5.9347 -3.5943 -3.5943 -1.7625 -1.7625 -1.6569 -1.6569 3.9118 3.9118 5.2528 5.2528 5.4196 5.4196 8.3348 8.3348 8.3631 8.3631 11.5339 11.5339 12.1170 12.1170 14.1819 14.1819 16.5186 16.5186 k = 0.2660 0.2109-0.0000 ( 1798 PWs) bands (ev): -17.2950 -17.2950 -11.9140 -11.9140 -5.9840 -5.9840 -3.5815 -3.5815 -1.7435 -1.7435 -1.6671 -1.6671 3.9376 3.9376 5.2530 5.2530 5.4223 5.4223 8.3733 8.3733 8.4016 8.4016 11.4974 11.4974 12.1104 12.1104 14.2265 14.2265 16.5424 16.5424 k = 0.2766 0.2194-0.0000 ( 1798 PWs) bands (ev): -17.2885 -17.2885 -11.9178 -11.9178 -6.0344 -6.0344 -3.5682 -3.5682 -1.7207 -1.7207 -1.6772 -1.6772 3.9560 3.9560 5.2533 5.2533 5.4252 5.4252 8.4110 8.4110 8.4393 8.4393 11.4618 11.4618 12.1148 12.1148 14.2717 14.2717 16.5664 16.5664 k = 0.2872 0.2278-0.0000 ( 1798 PWs) bands (ev): -17.2821 -17.2821 -11.9213 -11.9213 -6.0855 -6.0855 -3.5548 -3.5548 -1.6943 -1.6943 -1.6871 -1.6871 3.9669 3.9669 5.2538 5.2538 5.4285 5.4285 8.4478 8.4478 8.4761 8.4761 11.4272 11.4272 12.1300 12.1300 14.3175 14.3175 16.5905 16.5905 k = 0.2979 0.2362-0.0000 ( 1806 PWs) bands (ev): -17.2758 -17.2758 -11.9245 -11.9245 -6.1367 -6.1367 -3.5415 -3.5415 -1.6969 -1.6969 -1.6646 -1.6646 3.9706 3.9706 5.2544 5.2544 5.4319 5.4319 8.4835 8.4835 8.5118 8.5118 11.3937 11.3937 12.1556 12.1556 14.3635 14.3635 16.6145 16.6145 k = 0.3085 0.2447-0.0000 ( 1798 PWs) bands (ev): -17.2697 -17.2697 -11.9274 -11.9274 -6.1877 -6.1877 -3.5285 -3.5285 -1.7064 -1.7064 -1.6317 -1.6317 3.9674 3.9674 5.2551 5.2551 5.4355 5.4355 8.5181 8.5181 8.5464 8.5464 11.3615 11.3615 12.1912 12.1912 14.4095 14.4095 16.6384 16.6384 k = 0.3191 0.2531-0.0000 ( 1798 PWs) bands (ev): -17.2636 -17.2636 -11.9300 -11.9300 -6.2381 -6.2381 -3.5160 -3.5160 -1.7157 -1.7157 -1.5961 -1.5961 3.9577 3.9577 5.2558 5.2558 5.4392 5.4392 8.5513 8.5513 8.5795 8.5795 11.3306 11.3306 12.2360 12.2360 14.4551 14.4551 16.6620 16.6620 k = 0.3298 0.2616-0.0000 ( 1806 PWs) bands (ev): -17.2578 -17.2578 -11.9323 -11.9323 -6.2875 -6.2875 -3.5042 -3.5042 -1.7246 -1.7246 -1.5581 -1.5581 3.9422 3.9422 5.2566 5.2566 5.4430 5.4430 8.5831 8.5831 8.6113 8.6113 11.3011 11.3011 12.2891 12.2891 14.5001 14.5001 16.6852 16.6852 k = 0.3404 0.2700-0.0000 ( 1806 PWs) bands (ev): -17.2522 -17.2522 -11.9343 -11.9343 -6.3357 -6.3357 -3.4931 -3.4931 -1.7332 -1.7332 -1.5182 -1.5182 3.9213 3.9213 5.2575 5.2575 5.4468 5.4468 8.6134 8.6134 8.6414 8.6414 11.2731 11.2731 12.3498 12.3498 14.5439 14.5439 16.7079 16.7079 k = 0.3511 0.2784-0.0000 ( 1814 PWs) bands (ev): -17.2468 -17.2468 -11.9360 -11.9360 -6.3822 -6.3822 -3.4828 -3.4828 -1.7414 -1.7414 -1.4767 -1.4767 3.8960 3.8960 5.2584 5.2584 5.4507 5.4507 8.6420 8.6420 8.6699 8.6699 11.2466 11.2466 12.4170 12.4170 14.5863 14.5863 16.7299 16.7299 k = 0.3617 0.2869-0.0000 ( 1818 PWs) bands (ev): -17.2417 -17.2417 -11.9375 -11.9375 -6.4268 -6.4268 -3.4734 -3.4734 -1.7492 -1.7492 -1.4343 -1.4343 3.8670 3.8670 5.2594 5.2594 5.4545 5.4545 8.6689 8.6689 8.6967 8.6967 11.2217 11.2217 12.4895 12.4895 14.6268 14.6268 16.7511 16.7511 k = 0.3723 0.2953-0.0000 ( 1818 PWs) bands (ev): -17.2368 -17.2368 -11.9387 -11.9387 -6.4692 -6.4692 -3.4649 -3.4649 -1.7566 -1.7566 -1.3915 -1.3915 3.8351 3.8351 5.2604 5.2604 5.4583 5.4583 8.6941 8.6941 8.7217 8.7217 11.1984 11.1984 12.5660 12.5660 14.6649 14.6649 16.7714 16.7714 k = 0.3830 0.3037-0.0000 ( 1818 PWs) bands (ev): -17.2323 -17.2323 -11.9397 -11.9397 -6.5091 -6.5091 -3.4572 -3.4572 -1.7635 -1.7635 -1.3488 -1.3488 3.8012 3.8012 5.2614 5.2614 5.4619 5.4619 8.7174 8.7174 8.7448 8.7448 11.1769 11.1769 12.6453 12.6453 14.7002 14.7002 16.7906 16.7906 k = 0.3936 0.3122-0.0000 ( 1818 PWs) bands (ev): -17.2281 -17.2281 -11.9405 -11.9405 -6.5464 -6.5464 -3.4504 -3.4504 -1.7698 -1.7698 -1.3069 -1.3069 3.7662 3.7662 5.2625 5.2625 5.4654 5.4654 8.7388 8.7388 8.7661 8.7661 11.1571 11.1571 12.7258 12.7258 14.7322 14.7322 16.8087 16.8087 k = 0.4043 0.3206-0.0000 ( 1810 PWs) bands (ev): -17.2242 -17.2242 -11.9412 -11.9412 -6.5807 -6.5807 -3.4444 -3.4444 -1.7757 -1.7757 -1.2665 -1.2665 3.7311 3.7311 5.2635 5.2635 5.4687 5.4687 8.7582 8.7582 8.7854 8.7854 11.1390 11.1390 12.8062 12.8062 14.7607 14.7607 16.8254 16.8254 k = 0.4149 0.3291-0.0000 ( 1810 PWs) bands (ev): -17.2206 -17.2206 -11.9417 -11.9417 -6.6119 -6.6119 -3.4392 -3.4392 -1.7809 -1.7809 -1.2281 -1.2281 3.6967 3.6967 5.2645 5.2645 5.4717 5.4717 8.7757 8.7757 8.8027 8.8027 11.1228 11.1228 12.8847 12.8847 14.7853 14.7853 16.8407 16.8407 k = 0.4255 0.3375-0.0000 ( 1818 PWs) bands (ev): -17.2175 -17.2175 -11.9421 -11.9421 -6.6399 -6.6399 -3.4347 -3.4347 -1.7856 -1.7856 -1.1924 -1.1924 3.6639 3.6639 5.2654 5.2654 5.4745 5.4745 8.7912 8.7912 8.8181 8.8181 11.1084 11.1084 12.9598 12.9598 14.8059 14.8059 16.8545 16.8545 k = 0.4362 0.3459-0.0000 ( 1814 PWs) bands (ev): -17.2148 -17.2148 -11.9423 -11.9423 -6.6644 -6.6644 -3.4309 -3.4309 -1.7898 -1.7898 -1.1599 -1.1599 3.6336 3.6336 5.2662 5.2662 5.4769 5.4769 8.8046 8.8046 8.8314 8.8314 11.0959 11.0959 13.0297 13.0297 14.8225 14.8225 16.8666 16.8666 k = 0.4468 0.3544-0.0000 ( 1806 PWs) bands (ev): -17.2124 -17.2124 -11.9425 -11.9425 -6.6854 -6.6854 -3.4278 -3.4278 -1.7933 -1.7933 -1.1314 -1.1314 3.6065 3.6065 5.2670 5.2670 5.4791 5.4791 8.8161 8.8161 8.8427 8.8427 11.0853 11.0853 13.0928 13.0928 14.8354 14.8354 16.8771 16.8771 k = 0.4574 0.3628-0.0000 ( 1806 PWs) bands (ev): -17.2105 -17.2105 -11.9426 -11.9426 -6.7027 -6.7027 -3.4253 -3.4253 -1.7962 -1.7962 -1.1072 -1.1072 3.5833 3.5833 5.2676 5.2676 5.4809 5.4809 8.8254 8.8254 8.8519 8.8519 11.0766 11.0766 13.1473 13.1473 14.8449 14.8449 16.8857 16.8857 k = 0.4681 0.3712-0.0000 ( 1806 PWs) bands (ev): -17.2089 -17.2089 -11.9427 -11.9427 -6.7163 -6.7163 -3.4234 -3.4234 -1.7984 -1.7984 -1.0880 -1.0880 3.5646 3.5646 5.2682 5.2682 5.4823 5.4823 8.8327 8.8327 8.8591 8.8591 11.0698 11.0698 13.1917 13.1917 14.8514 14.8514 16.8925 16.8925 k = 0.4787 0.3797-0.0000 ( 1814 PWs) bands (ev): -17.2079 -17.2079 -11.9427 -11.9427 -6.7260 -6.7260 -3.4221 -3.4221 -1.8000 -1.8000 -1.0739 -1.0739 3.5508 3.5508 5.2685 5.2685 5.4833 5.4833 8.8379 8.8379 8.8643 8.8643 11.0649 11.0649 13.2245 13.2245 14.8556 14.8556 16.8974 16.8974 k = 0.4894 0.3881-0.0000 ( 1818 PWs) bands (ev): -17.2072 -17.2072 -11.9428 -11.9428 -6.7319 -6.7319 -3.4213 -3.4213 -1.8010 -1.8010 -1.0653 -1.0653 3.5424 3.5424 5.2688 5.2688 5.4839 5.4839 8.8410 8.8410 8.8674 8.8674 11.0620 11.0620 13.2446 13.2446 14.8578 14.8578 16.9004 16.9004 k = 0.5000 0.3966-0.0000 ( 1814 PWs) bands (ev): -17.2070 -17.2070 -11.9428 -11.9428 -6.7339 -6.7339 -3.4210 -3.4210 -1.8013 -1.8013 -1.0625 -1.0625 3.5396 3.5396 5.2689 5.2689 5.4841 5.4841 8.8420 8.8420 8.8684 8.8684 11.0610 11.0610 13.2514 13.2514 14.8586 14.8586 16.9013 16.9013 k = 0.5000 0.3966-0.0000 ( 1814 PWs) bands (ev): -17.2070 -17.2070 -11.9428 -11.9428 -6.7339 -6.7339 -3.4210 -3.4210 -1.8013 -1.8013 -1.0625 -1.0625 3.5396 3.5396 5.2689 5.2689 5.4841 5.4841 8.8420 8.8420 8.8684 8.8684 11.0610 11.0610 13.2514 13.2514 14.8586 14.8586 16.9013 16.9013 k = 0.4941 0.4040 0.0095 ( 1816 PWs) bands (ev): -17.2068 -17.2068 -11.9432 -11.9432 -6.7334 -6.7334 -3.4210 -3.4210 -1.8012 -1.8012 -1.0628 -1.0628 3.5393 3.5393 5.2673 5.2673 5.4823 5.4823 8.8418 8.8418 8.8682 8.8682 11.0644 11.0644 13.2516 13.2516 14.8621 14.8621 16.9035 16.9035 k = 0.4882 0.4115 0.0190 ( 1816 PWs) bands (ev): -17.2062 -17.2062 -11.9444 -11.9444 -6.7318 -6.7318 -3.4209 -3.4209 -1.8007 -1.8007 -1.0637 -1.0637 3.5385 3.5385 5.2627 5.2627 5.4770 5.4770 8.8412 8.8412 8.8675 8.8675 11.0747 11.0747 13.2522 13.2522 14.8729 14.8729 16.9097 16.9097 k = 0.4823 0.4189 0.0285 ( 1812 PWs) bands (ev): -17.2052 -17.2052 -11.9464 -11.9464 -6.7293 -6.7293 -3.4208 -3.4208 -1.7998 -1.7998 -1.0654 -1.0654 3.5372 3.5372 5.2551 5.2551 5.4681 5.4681 8.8400 8.8400 8.8664 8.8664 11.0919 11.0919 13.2532 13.2532 14.8907 14.8907 16.9197 16.9197 k = 0.4764 0.4264 0.0380 ( 1800 PWs) bands (ev): -17.2039 -17.2039 -11.9491 -11.9491 -6.7258 -6.7258 -3.4207 -3.4207 -1.7986 -1.7986 -1.0676 -1.0676 3.5353 3.5353 5.2445 5.2445 5.4558 5.4558 8.8385 8.8385 8.8648 8.8648 11.1158 11.1158 13.2545 13.2545 14.9156 14.9156 16.9302 16.9302 k = 0.4705 0.4338 0.0475 ( 1800 PWs) bands (ev): -17.2022 -17.2022 -11.9527 -11.9527 -6.7213 -6.7213 -3.4206 -3.4206 -1.7971 -1.7971 -1.0704 -1.0704 3.5328 3.5328 5.2309 5.2309 5.4401 5.4401 8.8364 8.8364 8.8628 8.8628 11.1464 11.1464 13.2563 13.2563 14.9472 14.9472 16.8825 16.8825 k = 0.4645 0.4413 0.0571 ( 1800 PWs) bands (ev): -17.2001 -17.2001 -11.9569 -11.9569 -6.7157 -6.7157 -3.4204 -3.4204 -1.7952 -1.7952 -1.0739 -1.0739 3.5299 3.5299 5.2145 5.2145 5.4212 5.4212 8.8338 8.8338 8.8603 8.8603 11.1837 11.1837 13.2584 13.2584 14.9854 14.9854 16.7525 16.7525 k = 0.4586 0.4487 0.0666 ( 1802 PWs) bands (ev): -17.1977 -17.1977 -11.9619 -11.9619 -6.7092 -6.7092 -3.4203 -3.4203 -1.7930 -1.7930 -1.0779 -1.0779 3.5263 3.5263 5.1954 5.1954 5.3992 5.3992 8.8307 8.8307 8.8575 8.8575 11.2275 11.2275 13.2609 13.2609 15.0300 15.0300 16.6185 16.6185 k = 0.4527 0.4562 0.0761 ( 1802 PWs) bands (ev): -17.1950 -17.1950 -11.9676 -11.9676 -6.7018 -6.7018 -3.4201 -3.4201 -1.7904 -1.7904 -1.0825 -1.0825 3.5223 3.5223 5.1737 5.1737 5.3743 5.3743 8.8270 8.8270 8.8541 8.8541 11.2777 11.2777 13.2637 13.2637 15.0806 15.0806 16.4860 16.4860 k = 0.4468 0.4636 0.0856 ( 1794 PWs) bands (ev): -17.1919 -17.1919 -11.9740 -11.9740 -6.6933 -6.6933 -3.4199 -3.4199 -1.7874 -1.7874 -1.0877 -1.0877 3.5177 3.5177 5.1496 5.1496 5.3467 5.3467 8.8227 8.8227 8.8504 8.8504 11.3343 11.3343 13.2669 13.2669 15.1370 15.1370 16.3560 16.3560 k = 0.4409 0.4711 0.0951 ( 1798 PWs) bands (ev): -17.1886 -17.1886 -11.9809 -11.9809 -6.6839 -6.6839 -3.4197 -3.4197 -1.7840 -1.7840 -1.0933 -1.0933 3.5125 3.5125 5.1231 5.1231 5.3166 5.3166 8.8177 8.8177 8.8463 8.8463 11.3969 11.3969 13.2705 13.2705 15.1987 15.1987 16.2287 16.2287 k = 0.4350 0.4785 0.1046 ( 1798 PWs) bands (ev): -17.1849 -17.1849 -11.9885 -11.9885 -6.6736 -6.6736 -3.4195 -3.4195 -1.7803 -1.7803 -1.0994 -1.0994 3.5068 3.5068 5.0944 5.0944 5.2842 5.2842 8.8121 8.8121 8.8418 8.8418 11.4656 11.4656 13.2744 13.2744 15.2653 15.2653 16.1045 16.1045 k = 0.4291 0.4860 0.1141 ( 1794 PWs) bands (ev): -17.1811 -17.1811 -11.9966 -11.9966 -6.6624 -6.6624 -3.4193 -3.4193 -1.7762 -1.7762 -1.1060 -1.1060 3.5006 3.5006 5.0638 5.0638 5.2497 5.2497 8.8058 8.8058 8.8368 8.8368 11.5400 11.5400 13.2786 13.2786 15.3363 15.3363 15.9836 15.9836 k = 0.4232 0.4934 0.1236 ( 1794 PWs) bands (ev): -17.1770 -17.1770 -12.0052 -12.0052 -6.6502 -6.6502 -3.4192 -3.4192 -1.7717 -1.7717 -1.1130 -1.1130 3.4938 3.4938 5.0313 5.0313 5.2133 5.2133 8.7987 8.7987 8.8314 8.8314 11.6199 11.6199 13.2831 13.2831 15.4112 15.4112 15.8662 15.8662 k = 0.4173 0.5009 0.1331 ( 1794 PWs) bands (ev): -17.1727 -17.1727 -12.0142 -12.0142 -6.6372 -6.6372 -3.4191 -3.4191 -1.7668 -1.7668 -1.1204 -1.1204 3.4865 3.4865 4.9973 4.9973 5.1753 5.1753 8.7908 8.7908 8.8256 8.8256 11.7052 11.7052 13.2880 13.2880 15.4892 15.4892 15.7526 15.7526 k = 0.4114 0.5083 0.1426 ( 1794 PWs) bands (ev): -17.1683 -17.1683 -12.0237 -12.0237 -6.6233 -6.6233 -3.4190 -3.4190 -1.7615 -1.7615 -1.1281 -1.1281 3.4787 3.4787 4.9619 4.9619 5.1359 5.1359 8.7821 8.7821 8.8194 8.8194 11.7956 11.7956 13.2932 13.2932 15.5675 15.5675 15.6454 15.6454 k = 0.4055 0.5158 0.1522 ( 1796 PWs) bands (ev): -17.1637 -17.1637 -12.0335 -12.0335 -6.6086 -6.6086 -3.4190 -3.4190 -1.7559 -1.7559 -1.1360 -1.1360 3.4703 3.4703 4.9252 4.9252 5.0954 5.0954 8.7726 8.7726 8.8126 8.8126 11.8908 11.8908 13.2987 13.2987 15.5321 15.5321 15.6578 15.6578 k = 0.3995 0.5232 0.1617 ( 1788 PWs) bands (ev): -17.1590 -17.1590 -12.0435 -12.0435 -6.5931 -6.5931 -3.4190 -3.4190 -1.7500 -1.7500 -1.1443 -1.1443 3.4614 3.4614 4.8876 4.8876 5.0540 5.0540 8.7622 8.7622 8.8054 8.8054 11.9905 11.9905 13.3045 13.3045 15.4312 15.4312 15.7413 15.7413 k = 0.3936 0.5307 0.1712 ( 1792 PWs) bands (ev): -17.1542 -17.1542 -12.0538 -12.0538 -6.5768 -6.5768 -3.4191 -3.4191 -1.7437 -1.7437 -1.1527 -1.1527 3.4519 3.4519 4.8493 4.8493 5.0118 5.0118 8.7510 8.7510 8.7977 8.7977 12.0945 12.0945 13.3105 13.3105 15.3333 15.3333 15.8266 15.8266 k = 0.3877 0.5381 0.1807 ( 1788 PWs) bands (ev): -17.1495 -17.1495 -12.0643 -12.0643 -6.5597 -6.5597 -3.4192 -3.4192 -1.7372 -1.7372 -1.1612 -1.1612 3.4419 3.4419 4.8104 4.8104 4.9693 4.9693 8.7389 8.7389 8.7894 8.7894 12.2024 12.2024 13.3169 13.3169 15.2394 15.2394 15.9121 15.9121 k = 0.3818 0.5456 0.1902 ( 1786 PWs) bands (ev): -17.1447 -17.1447 -12.0748 -12.0748 -6.5419 -6.5419 -3.4194 -3.4194 -1.7304 -1.7304 -1.1699 -1.1699 3.4314 3.4314 4.7711 4.7711 4.9264 4.9264 8.7258 8.7258 8.7806 8.7806 12.3137 12.3137 13.3235 13.3235 15.1497 15.1497 15.9967 15.9967 k = 0.3759 0.5530 0.1997 ( 1782 PWs) bands (ev): -17.1399 -17.1399 -12.0853 -12.0853 -6.5234 -6.5234 -3.4197 -3.4197 -1.7234 -1.7234 -1.1786 -1.1786 3.4203 3.4203 4.7318 4.7318 4.8836 4.8836 8.7119 8.7119 8.7712 8.7712 12.4283 12.4283 13.3304 13.3304 15.0645 15.0645 16.0795 16.0795 k = 0.3700 0.5605 0.2092 ( 1780 PWs) bands (ev): -17.1353 -17.1353 -12.0959 -12.0959 -6.5042 -6.5042 -3.4201 -3.4201 -1.7162 -1.7162 -1.1872 -1.1872 3.4088 3.4088 4.6925 4.6925 4.8410 4.8410 8.6970 8.6970 8.7612 8.7612 12.5456 12.5456 13.3376 13.3376 14.9838 14.9838 16.1596 16.1596 k = 0.3641 0.5679 0.2187 ( 1784 PWs) bands (ev): -17.1307 -17.1307 -12.1063 -12.1063 -6.4844 -6.4844 -3.4206 -3.4206 -1.7089 -1.7089 -1.1958 -1.1958 3.3966 3.3966 4.6536 4.6536 4.7987 4.7987 8.6812 8.6812 8.7505 8.7505 12.6651 12.6651 13.3452 13.3452 14.9076 14.9076 16.2358 16.2358 k = 0.3582 0.5754 0.2282 ( 1784 PWs) bands (ev): -17.1263 -17.1263 -12.1165 -12.1165 -6.4640 -6.4640 -3.4212 -3.4212 -1.7015 -1.7015 -1.2043 -1.2043 3.3840 3.3840 4.6151 4.6151 4.7571 4.7571 8.6644 8.6644 8.7392 8.7392 12.7865 12.7865 13.3531 13.3531 14.8361 14.8361 16.3072 16.3072 k = 0.3523 0.5828 0.2377 ( 1788 PWs) bands (ev): -17.1222 -17.1222 -12.1266 -12.1266 -6.4430 -6.4430 -3.4218 -3.4218 -1.6941 -1.6941 -1.2126 -1.2126 3.3708 3.3708 4.5774 4.5774 4.7163 4.7163 8.6467 8.6467 8.7272 8.7272 12.9091 12.9091 13.3614 13.3614 14.7692 14.7692 16.3726 16.3726 k = 0.3464 0.5903 0.2472 ( 1796 PWs) bands (ev): -17.1182 -17.1182 -12.1363 -12.1363 -6.4215 -6.4215 -3.4226 -3.4226 -1.6868 -1.6868 -1.2207 -1.2207 3.3572 3.3572 4.5406 4.5406 4.6765 4.6765 8.6281 8.6281 8.7146 8.7146 13.0323 13.0323 13.3702 13.3702 14.7070 14.7070 16.4305 16.4305 k = 0.3404 0.5977 0.2568 ( 1796 PWs) bands (ev): -17.1145 -17.1145 -12.1456 -12.1456 -6.3995 -6.3995 -3.4235 -3.4235 -1.6796 -1.6796 -1.2285 -1.2285 3.3430 3.3430 4.5049 4.5049 4.6379 4.6379 8.6085 8.6085 8.7013 8.7013 13.1552 13.1552 13.3800 13.3800 14.6496 14.6496 16.4788 16.4788 k = 0.3345 0.6052 0.2663 ( 1800 PWs) bands (ev): -17.1111 -17.1111 -12.1545 -12.1545 -6.3770 -6.3770 -3.4246 -3.4246 -1.6725 -1.6725 -1.2359 -1.2359 3.3283 3.3283 4.4705 4.4705 4.6006 4.6006 8.5881 8.5881 8.6872 8.6872 13.2756 13.2756 13.3924 13.3924 14.5968 14.5968 16.5133 16.5133 k = 0.3286 0.6126 0.2758 ( 1800 PWs) bands (ev): -17.1080 -17.1080 -12.1629 -12.1629 -6.3541 -6.3541 -3.4257 -3.4257 -1.6657 -1.6657 -1.2430 -1.2430 3.3132 3.3132 4.4375 4.4375 4.5648 4.5648 8.5668 8.5668 8.6725 8.6725 13.3727 13.3727 13.4276 13.4276 14.5487 14.5487 16.5274 16.5274 k = 0.3286 0.6126 0.2758 ( 1800 PWs) bands (ev): -17.1080 -17.1080 -12.1629 -12.1629 -6.3541 -6.3541 -3.4257 -3.4257 -1.6657 -1.6657 -1.2430 -1.2430 3.3132 3.3132 4.4375 4.4375 4.5648 4.5648 8.5668 8.5668 8.6725 8.6725 13.3727 13.3727 13.4276 13.4276 14.5487 14.5487 16.5274 16.5274 k = 0.3165 0.6090 0.2805 ( 1800 PWs) bands (ev): -17.1067 -17.1067 -12.1669 -12.1669 -6.3414 -6.3414 -3.4267 -3.4267 -1.6626 -1.6626 -1.2483 -1.2483 3.3082 3.3082 4.4216 4.4216 4.5477 4.5477 8.5559 8.5559 8.6648 8.6648 13.3848 13.3848 13.4743 13.4743 14.5266 14.5266 16.5270 16.5270 k = 0.3043 0.6053 0.2852 ( 1804 PWs) bands (ev): -17.1057 -17.1057 -12.1709 -12.1709 -6.3262 -6.3262 -3.4287 -3.4287 -1.6597 -1.6597 -1.2571 -1.2571 3.3083 3.3083 4.4058 4.4058 4.5306 4.5306 8.5448 8.5448 8.6567 8.6567 13.3754 13.3754 13.5303 13.5303 14.5055 14.5055 16.5219 16.5219 k = 0.2921 0.6016 0.2898 ( 1804 PWs) bands (ev): -17.1048 -17.1048 -12.1748 -12.1748 -6.3083 -6.3083 -3.4316 -3.4316 -1.6573 -1.6573 -1.2691 -1.2691 3.3135 3.3135 4.3900 4.3900 4.5137 4.5137 8.5335 8.5335 8.6482 8.6482 13.3518 13.3518 13.5882 13.5882 14.4858 14.4858 16.5113 16.5113 k = 0.2799 0.5979 0.2945 ( 1807 PWs) bands (ev): -17.1042 -17.1042 -12.1787 -12.1787 -6.2881 -6.2881 -3.4356 -3.4356 -1.6555 -1.6555 -1.2841 -1.2841 3.3236 3.3236 4.3744 4.3744 4.4970 4.4970 8.5222 8.5222 8.6395 8.6395 13.3162 13.3162 13.6455 13.6455 14.4678 14.4678 16.4960 16.4960 k = 0.2678 0.5943 0.2992 ( 1809 PWs) bands (ev): -17.1037 -17.1037 -12.1826 -12.1826 -6.2655 -6.2655 -3.4406 -3.4406 -1.6546 -1.6546 -1.3015 -1.3015 3.3385 3.3385 4.3588 4.3588 4.4805 4.4805 8.5110 8.5110 8.6307 8.6307 13.2703 13.2703 13.7013 13.7013 14.4522 14.4522 16.4772 16.4772 k = 0.2556 0.5906 0.3039 ( 1811 PWs) bands (ev): -17.1034 -17.1034 -12.1864 -12.1864 -6.2407 -6.2407 -3.4468 -3.4468 -1.6550 -1.6550 -1.3207 -1.3207 3.3578 3.3578 4.3433 4.3433 4.4643 4.4643 8.5001 8.5001 8.6217 8.6217 13.2154 13.2154 13.7545 13.7545 14.4397 14.4397 16.4561 16.4561 k = 0.2434 0.5869 0.3086 ( 1807 PWs) bands (ev): -17.1032 -17.1032 -12.1902 -12.1902 -6.2138 -6.2138 -3.4541 -3.4541 -1.6569 -1.6569 -1.3410 -1.3410 3.3812 3.3812 4.3280 4.3280 4.4484 4.4484 8.4895 8.4895 8.6128 8.6128 13.1527 13.1527 13.8038 13.8038 14.4312 14.4312 16.4332 16.4332 k = 0.2313 0.5833 0.3133 ( 1807 PWs) bands (ev): -17.1032 -17.1032 -12.1939 -12.1939 -6.1850 -6.1850 -3.4627 -3.4627 -1.6610 -1.6610 -1.3614 -1.3614 3.4084 3.4084 4.3129 4.3129 4.4329 4.4329 8.4792 8.4792 8.6040 8.6040 13.0838 13.0838 13.8480 13.8480 14.4278 14.4278 16.4093 16.4093 k = 0.2191 0.5796 0.3180 ( 1808 PWs) bands (ev): -17.1033 -17.1033 -12.1976 -12.1976 -6.1546 -6.1546 -3.4725 -3.4725 -1.6676 -1.6676 -1.3812 -1.3812 3.4388 3.4388 4.2981 4.2981 4.4178 4.4178 8.4694 8.4694 8.5954 8.5954 13.0099 13.0099 13.8857 13.8857 14.4308 14.4308 16.3846 16.3846 k = 0.2069 0.5759 0.3226 ( 1806 PWs) bands (ev): -17.1035 -17.1035 -12.2012 -12.2012 -6.1226 -6.1226 -3.4835 -3.4835 -1.6772 -1.6772 -1.3993 -1.3993 3.4719 3.4719 4.2835 4.2835 4.4031 4.4031 8.4601 8.4601 8.5870 8.5870 12.9324 12.9324 13.9157 13.9157 14.4410 14.4410 16.3595 16.3595 k = 0.1947 0.5722 0.3273 ( 1804 PWs) bands (ev): -17.1038 -17.1038 -12.2047 -12.2047 -6.0894 -6.0894 -3.4958 -3.4958 -1.6902 -1.6902 -1.4150 -1.4150 3.5073 3.5073 4.2692 4.2692 4.3890 4.3890 8.4514 8.4514 8.5789 8.5789 12.8527 12.8527 13.9376 13.9376 14.4590 14.4590 16.3344 16.3344 k = 0.1826 0.5686 0.3320 ( 1800 PWs) bands (ev): -17.1042 -17.1042 -12.2080 -12.2080 -6.0551 -6.0551 -3.5093 -3.5093 -1.7064 -1.7064 -1.4279 -1.4279 3.5445 3.5445 4.2553 4.2553 4.3754 4.3754 8.4432 8.4432 8.5711 8.5711 12.7718 12.7718 13.9514 13.9514 14.4843 14.4843 16.3096 16.3096 k = 0.1704 0.5649 0.3367 ( 1798 PWs) bands (ev): -17.1046 -17.1046 -12.2113 -12.2113 -6.0202 -6.0202 -3.5239 -3.5239 -1.7256 -1.7256 -1.4379 -1.4379 3.5828 3.5828 4.2419 4.2419 4.3624 4.3624 8.4356 8.4356 8.5636 8.5636 12.6910 12.6910 13.9582 13.9582 14.5158 14.5158 16.2852 16.2852 k = 0.1582 0.5612 0.3414 ( 1801 PWs) bands (ev): -17.1051 -17.1051 -12.2144 -12.2144 -5.9848 -5.9848 -3.5396 -3.5396 -1.7471 -1.7471 -1.4452 -1.4452 3.6217 3.6217 4.2289 4.2289 4.3500 4.3500 8.4287 8.4287 8.5566 8.5566 12.6111 12.6111 13.9593 13.9593 14.5518 14.5518 16.2615 16.2615 k = 0.1461 0.5576 0.3461 ( 1803 PWs) bands (ev): -17.1056 -17.1056 -12.2174 -12.2174 -5.9495 -5.9495 -3.5562 -3.5562 -1.7701 -1.7701 -1.4502 -1.4502 3.6607 3.6607 4.2164 4.2164 4.3384 4.3384 8.4224 8.4224 8.5500 8.5500 12.5332 12.5332 13.9562 13.9562 14.5907 14.5907 16.2387 16.2387 k = 0.1339 0.5539 0.3508 ( 1806 PWs) bands (ev): -17.1061 -17.1061 -12.2202 -12.2202 -5.9144 -5.9144 -3.5735 -3.5735 -1.7938 -1.7938 -1.4534 -1.4534 3.6992 3.6992 4.2045 4.2045 4.3274 4.3274 8.4166 8.4166 8.5439 8.5439 12.4582 12.4582 13.9502 13.9502 14.6310 14.6310 16.2171 16.2171 k = 0.1217 0.5502 0.3554 ( 1808 PWs) bands (ev): -17.1066 -17.1066 -12.2228 -12.2228 -5.8801 -5.8801 -3.5912 -3.5912 -1.8174 -1.8174 -1.4552 -1.4552 3.7368 3.7368 4.1932 4.1932 4.3173 4.3173 8.4115 8.4115 8.5382 8.5382 12.3869 12.3869 13.9424 13.9424 14.6713 14.6713 16.1967 16.1967 k = 0.1095 0.5465 0.3601 ( 1803 PWs) bands (ev): -17.1071 -17.1071 -12.2252 -12.2252 -5.8469 -5.8469 -3.6091 -3.6091 -1.8403 -1.8403 -1.4560 -1.4560 3.7728 3.7728 4.1827 4.1827 4.3080 4.3080 8.4070 8.4070 8.5331 8.5331 12.3199 12.3199 13.9337 13.9337 14.7106 14.7106 16.1778 16.1778 k = 0.0974 0.5429 0.3648 ( 1804 PWs) bands (ev): -17.1075 -17.1075 -12.2274 -12.2274 -5.8154 -5.8154 -3.6268 -3.6268 -1.8620 -1.8620 -1.4561 -1.4561 3.8068 3.8068 4.1728 4.1728 4.2995 4.2995 8.4031 8.4031 8.5285 8.5285 12.2581 12.2581 13.9246 13.9246 14.7479 14.7479 16.1605 16.1605 k = 0.0852 0.5392 0.3695 ( 1804 PWs) bands (ev): -17.1080 -17.1080 -12.2294 -12.2294 -5.7861 -5.7861 -3.6439 -3.6439 -1.8819 -1.8819 -1.4557 -1.4557 3.8383 3.8383 4.1636 4.1636 4.2919 4.2919 8.3996 8.3996 8.5244 8.5244 12.2020 12.2020 13.9156 13.9156 14.7824 14.7824 16.1450 16.1450 k = 0.0730 0.5355 0.3742 ( 1804 PWs) bands (ev): -17.1084 -17.1084 -12.2312 -12.2312 -5.7593 -5.7593 -3.6599 -3.6599 -1.8996 -1.8996 -1.4551 -1.4551 3.8670 3.8670 4.1553 4.1553 4.2852 4.2852 8.3968 8.3968 8.5208 8.5208 12.1523 12.1523 13.9073 13.9073 14.8136 14.8136 16.1312 16.1312 k = 0.0609 0.5318 0.3789 ( 1802 PWs) bands (ev): -17.1087 -17.1087 -12.2327 -12.2327 -5.7356 -5.7356 -3.6745 -3.6745 -1.9151 -1.9151 -1.4543 -1.4543 3.8923 3.8923 4.1479 4.1479 4.2795 4.2795 8.3944 8.3944 8.5178 8.5178 12.1093 12.1093 13.8998 13.8998 14.8410 14.8410 16.1195 16.1195 k = 0.0487 0.5282 0.3836 ( 1802 PWs) bands (ev): -17.1090 -17.1090 -12.2339 -12.2339 -5.7155 -5.7155 -3.6871 -3.6871 -1.9280 -1.9280 -1.4536 -1.4536 3.9138 3.9138 4.1414 4.1414 4.2748 4.2748 8.3924 8.3924 8.5153 8.5153 12.0735 12.0735 13.8934 13.8934 14.8639 14.8639 16.1097 16.1097 k = 0.0365 0.5245 0.3883 ( 1806 PWs) bands (ev): -17.1092 -17.1092 -12.2349 -12.2349 -5.6993 -5.6993 -3.6974 -3.6974 -1.9381 -1.9381 -1.4529 -1.4529 3.9312 3.9312 4.1360 4.1360 4.2710 4.2710 8.3910 8.3910 8.5134 8.5134 12.0453 12.0453 13.8882 13.8882 14.8822 14.8822 16.1021 16.1021 k = 0.0243 0.5208 0.3929 ( 1805 PWs) bands (ev): -17.1094 -17.1094 -12.2356 -12.2356 -5.6875 -5.6875 -3.7051 -3.7051 -1.9454 -1.9454 -1.4524 -1.4524 3.9440 3.9440 4.1319 4.1319 4.2684 4.2684 8.3899 8.3899 8.5120 8.5120 12.0249 12.0249 13.8844 13.8844 14.8954 14.8954 16.0966 16.0966 k = 0.0122 0.5172 0.3976 ( 1805 PWs) bands (ev): -17.1095 -17.1095 -12.2360 -12.2360 -5.6803 -5.6803 -3.7098 -3.7098 -1.9499 -1.9499 -1.4521 -1.4521 3.9519 3.9519 4.1293 4.1293 4.2668 4.2668 8.3893 8.3893 8.5112 8.5112 12.0126 12.0126 13.8821 13.8821 14.9034 14.9034 16.0933 16.0933 k = 0.0000 0.5135 0.4023 ( 1802 PWs) bands (ev): -17.1095 -17.1095 -12.2361 -12.2361 -5.6779 -5.6779 -3.7114 -3.7114 -1.9513 -1.9513 -1.4520 -1.4520 3.9546 3.9546 4.1285 4.1285 4.2662 4.2662 8.3891 8.3891 8.5109 8.5109 12.0085 12.0085 13.8814 13.8814 14.9061 14.9061 16.0922 16.0922 k = 0.0000 0.5135 0.4023 ( 1802 PWs) bands (ev): -17.1095 -17.1095 -12.2361 -12.2361 -5.6779 -5.6779 -3.7114 -3.7114 -1.9513 -1.9513 -1.4520 -1.4520 3.9546 3.9546 4.1285 4.1285 4.2662 4.2662 8.3891 8.3891 8.5109 8.5109 12.0085 12.0085 13.8814 13.8814 14.9061 14.9061 16.0922 16.0922 k = 0.0060 0.5060 0.4119 ( 1802 PWs) bands (ev): -17.1094 -17.1094 -12.2359 -12.2359 -5.6778 -5.6778 -3.7120 -3.7120 -1.9519 -1.9519 -1.4542 -1.4542 3.9544 3.9544 4.1313 4.1313 4.2683 4.2683 8.3879 8.3879 8.5094 8.5094 12.0093 12.0093 13.8834 13.8834 14.9089 14.9089 16.0899 16.0899 k = 0.0119 0.4985 0.4215 ( 1806 PWs) bands (ev): -17.1090 -17.1090 -12.2354 -12.2354 -5.6776 -5.6776 -3.7140 -3.7140 -1.9537 -1.9537 -1.4608 -1.4608 3.9539 3.9539 4.1399 4.1399 4.2743 4.2743 8.3845 8.3845 8.5049 8.5049 12.0117 12.0117 13.8894 13.8894 14.9172 14.9172 16.0831 16.0831 k = 0.0179 0.4910 0.4311 ( 1808 PWs) bands (ev): -17.1083 -17.1083 -12.2345 -12.2345 -5.6772 -5.6772 -3.7172 -3.7172 -1.9567 -1.9567 -1.4717 -1.4717 3.9531 3.9531 4.1539 4.1539 4.2844 4.2844 8.3788 8.3788 8.4973 8.4973 12.0157 12.0157 13.8995 13.8995 14.9311 14.9311 16.0721 16.0721 k = 0.0238 0.4835 0.4406 ( 1808 PWs) bands (ev): -17.1073 -17.1073 -12.2332 -12.2332 -5.6766 -5.6766 -3.7218 -3.7218 -1.9607 -1.9607 -1.4869 -1.4869 3.9522 3.9522 4.1732 4.1732 4.2985 4.2985 8.3709 8.3709 8.4869 8.4869 12.0212 12.0212 13.9135 13.9135 14.9505 14.9505 16.0571 16.0571 k = 0.0298 0.4760 0.4502 ( 1808 PWs) bands (ev): -17.1060 -17.1060 -12.2316 -12.2316 -5.6759 -5.6759 -3.7276 -3.7276 -1.9659 -1.9659 -1.5060 -1.5060 3.9512 3.9512 4.1975 4.1975 4.3164 4.3164 8.3608 8.3608 8.4736 8.4736 12.0281 12.0281 13.9314 13.9314 14.9756 14.9756 16.0387 16.0387 k = 0.0357 0.4685 0.4598 ( 1808 PWs) bands (ev): -17.1044 -17.1044 -12.2297 -12.2297 -5.6751 -5.6751 -3.7347 -3.7347 -1.9721 -1.9721 -1.5289 -1.5289 3.9503 3.9503 4.2263 4.2263 4.3380 4.3380 8.3487 8.3487 8.4578 8.4578 12.0364 12.0364 13.9532 13.9532 15.0062 15.0062 16.0172 16.0172 k = 0.0417 0.4610 0.4694 ( 1810 PWs) bands (ev): -17.1027 -17.1027 -12.2274 -12.2274 -5.6741 -5.6741 -3.7431 -3.7431 -1.9792 -1.9792 -1.5552 -1.5552 3.9496 3.9496 4.2593 4.2593 4.3633 4.3633 8.3345 8.3345 8.4394 8.4394 12.0458 12.0458 13.9786 13.9786 15.0424 15.0424 15.9931 15.9931 k = 0.0476 0.4535 0.4789 ( 1814 PWs) bands (ev): -17.1006 -17.1006 -12.2248 -12.2248 -5.6730 -5.6730 -3.7527 -3.7527 -1.9872 -1.9872 -1.5848 -1.5848 3.9489 3.9489 4.2961 4.2961 4.3921 4.3921 8.3184 8.3184 8.4187 8.4187 12.0563 12.0563 14.0077 14.0077 15.0843 15.0843 15.9671 15.9671 k = 0.0536 0.4459 0.4885 ( 1816 PWs) bands (ev): -17.0983 -17.0983 -12.2219 -12.2219 -5.6717 -5.6717 -3.7636 -3.7636 -1.9960 -1.9960 -1.6171 -1.6171 3.9484 3.9484 4.3361 4.3361 4.4245 4.4245 8.3006 8.3006 8.3959 8.3959 12.0678 12.0678 14.0403 14.0403 15.1319 15.1319 15.9396 15.9396 k = 0.0595 0.4384 0.4981 ( 1810 PWs) bands (ev): -17.0958 -17.0958 -12.2187 -12.2187 -5.6703 -5.6703 -3.7757 -3.7757 -2.0056 -2.0056 -1.6519 -1.6519 3.9481 3.9481 4.3788 4.3788 4.4603 4.4603 8.2810 8.2810 8.3713 8.3713 12.0800 12.0800 14.0762 14.0762 15.1851 15.1851 15.9110 15.9110 k = 0.0655 0.4309 0.5077 ( 1810 PWs) bands (ev): -17.0931 -17.0931 -12.2153 -12.2153 -5.6688 -5.6688 -3.7889 -3.7889 -2.0160 -2.0160 -1.6888 -1.6888 3.9480 3.9480 4.4235 4.4235 4.4997 4.4997 8.2600 8.2600 8.3449 8.3449 12.0929 12.0929 14.1152 14.1152 15.2440 15.2440 15.8818 15.8818 k = 0.0714 0.4234 0.5173 ( 1810 PWs) bands (ev): -17.0901 -17.0901 -12.2116 -12.2116 -5.6672 -5.6672 -3.8032 -3.8032 -2.0271 -2.0271 -1.7272 -1.7272 3.9480 3.9480 4.4697 4.4697 4.5426 4.5426 8.2375 8.2375 8.3171 8.3171 12.1063 12.1063 14.1571 14.1571 15.3086 15.3086 15.8523 15.8523 k = 0.0774 0.4159 0.5268 ( 1806 PWs) bands (ev): -17.0870 -17.0870 -12.2076 -12.2076 -5.6655 -5.6655 -3.8187 -3.8187 -2.0390 -2.0390 -1.7667 -1.7667 3.9482 3.9482 4.5167 4.5167 4.5889 4.5889 8.2138 8.2138 8.2880 8.2880 12.1202 12.1202 14.2018 14.2018 15.3788 15.3788 15.8232 15.8232 k = 0.0833 0.4084 0.5364 ( 1802 PWs) bands (ev): -17.0837 -17.0837 -12.2034 -12.2034 -5.6637 -5.6637 -3.8351 -3.8351 -2.0520 -2.0520 -1.8066 -1.8066 3.9485 3.9485 4.5642 4.5642 4.6385 4.6385 8.1890 8.1890 8.2580 8.2580 12.1343 12.1343 14.2490 14.2490 15.4543 15.4543 15.7947 15.7947 k = 0.0893 0.4009 0.5460 ( 1798 PWs) bands (ev): -17.0803 -17.0803 -12.1991 -12.1991 -5.6618 -5.6618 -3.8525 -3.8525 -2.0662 -2.0662 -1.8463 -1.8463 3.9489 3.9489 4.6119 4.6119 4.6908 4.6908 8.1633 8.1633 8.2272 8.2272 12.1486 12.1486 14.2983 14.2983 15.5344 15.5344 15.7681 15.7681 k = 0.0952 0.3934 0.5556 ( 1800 PWs) bands (ev): -17.0767 -17.0767 -12.1945 -12.1945 -5.6598 -5.6598 -3.8707 -3.8707 -2.0822 -2.0822 -1.8849 -1.8849 3.9494 3.9494 4.6598 4.6598 4.7454 4.7454 8.1369 8.1369 8.1958 8.1958 12.1629 12.1629 14.3497 14.3497 15.6155 15.6155 15.7469 15.7469 k = 0.1012 0.3859 0.5652 ( 1796 PWs) bands (ev): -17.0730 -17.0730 -12.1899 -12.1899 -5.6578 -5.6578 -3.8897 -3.8897 -2.1006 -2.1006 -1.9212 -1.9212 3.9501 3.9501 4.7078 4.7078 4.8015 4.8015 8.1099 8.1099 8.1640 8.1640 12.1772 12.1772 14.4026 14.4026 15.6710 15.6710 15.7582 15.7582 k = 0.1071 0.3784 0.5747 ( 1798 PWs) bands (ev): -17.0693 -17.0693 -12.1850 -12.1850 -5.6557 -5.6557 -3.9094 -3.9094 -2.1224 -2.1224 -1.9542 -1.9542 3.9508 3.9508 4.7559 4.7559 4.8587 4.8587 8.0824 8.0824 8.1321 8.1321 12.1913 12.1913 14.4570 14.4570 15.6657 15.6657 15.8369 15.8369 k = 0.1131 0.3709 0.5843 ( 1798 PWs) bands (ev): -17.0654 -17.0654 -12.1801 -12.1801 -5.6536 -5.6536 -3.9297 -3.9297 -2.1482 -2.1482 -1.9827 -1.9827 3.9516 3.9516 4.8041 4.8041 4.9164 4.9164 8.0548 8.0548 8.1002 8.1002 12.2053 12.2053 14.5124 14.5124 15.6448 15.6448 15.9381 15.9381 k = 0.1190 0.3634 0.5939 ( 1794 PWs) bands (ev): -17.0615 -17.0615 -12.1752 -12.1752 -5.6515 -5.6515 -3.9504 -3.9504 -2.1781 -2.1781 -2.0064 -2.0064 3.9524 3.9524 4.8520 4.8520 4.9742 4.9742 8.0270 8.0270 8.0685 8.0685 12.2190 12.2190 14.5686 14.5686 15.6220 15.6220 16.0479 16.0479 k = 0.1250 0.3559 0.6035 ( 1798 PWs) bands (ev): -17.0576 -17.0576 -12.1702 -12.1702 -5.6494 -5.6494 -3.9714 -3.9714 -2.2115 -2.2115 -2.0255 -2.0255 3.9533 3.9533 4.8997 4.8997 5.0316 5.0316 7.9994 7.9994 8.0373 8.0373 12.2324 12.2324 14.6252 14.6252 15.5994 15.5994 16.1636 16.1636 k = 0.1310 0.3484 0.6131 ( 1796 PWs) bands (ev): -17.0537 -17.0537 -12.1651 -12.1651 -5.6472 -5.6472 -3.9927 -3.9927 -2.2474 -2.2474 -2.0410 -2.0410 3.9542 3.9542 4.9468 4.9468 5.0883 5.0883 7.9721 7.9721 8.0066 8.0066 12.2454 12.2454 14.6820 14.6820 15.5777 15.5777 16.2833 16.2833 k = 0.1369 0.3409 0.6226 ( 1796 PWs) bands (ev): -17.0498 -17.0498 -12.1601 -12.1601 -5.6451 -5.6451 -4.0140 -4.0140 -2.2848 -2.2848 -2.0535 -2.0535 3.9552 3.9552 4.9932 4.9932 5.1440 5.1440 7.9452 7.9452 7.9766 7.9766 12.2580 12.2580 14.7386 14.7386 15.5570 15.5570 16.3945 16.3945 k = 0.1429 0.3334 0.6322 ( 1794 PWs) bands (ev): -17.0459 -17.0459 -12.1552 -12.1552 -5.6429 -5.6429 -4.0353 -4.0353 -2.3226 -2.3226 -2.0639 -2.0639 3.9562 3.9562 5.0387 5.0387 5.1984 5.1984 7.9188 7.9188 7.9475 7.9475 12.2701 12.2701 14.7946 14.7946 15.5374 15.5374 16.3942 16.3942 k = 0.1488 0.3259 0.6418 ( 1790 PWs) bands (ev): -17.0421 -17.0421 -12.1503 -12.1503 -5.6409 -5.6409 -4.0563 -4.0563 -2.3602 -2.3602 -2.0726 -2.0726 3.9571 3.9571 5.0829 5.0829 5.2512 5.2512 7.8933 7.8933 7.9194 7.9194 12.2817 12.2817 14.8499 14.8499 15.5190 15.5190 16.3193 16.3193 k = 0.1548 0.3184 0.6514 ( 1790 PWs) bands (ev): -17.0384 -17.0384 -12.1455 -12.1455 -5.6388 -5.6388 -4.0771 -4.0771 -2.3971 -2.3971 -2.0800 -2.0800 3.9581 3.9581 5.1258 5.1258 5.3022 5.3022 7.8685 7.8685 7.8924 7.8924 12.2928 12.2928 14.9041 14.9041 15.5018 15.5018 16.2399 16.2399 k = 0.1607 0.3109 0.6609 ( 1794 PWs) bands (ev): -17.0347 -17.0347 -12.1408 -12.1408 -5.6368 -5.6368 -4.0974 -4.0974 -2.4330 -2.4330 -2.0863 -2.0863 3.9591 3.9591 5.1671 5.1671 5.3511 5.3511 7.8448 7.8448 7.8666 7.8666 12.3033 12.3033 14.9568 14.9568 15.4859 15.4859 16.1621 16.1621 k = 0.1667 0.3034 0.6705 ( 1798 PWs) bands (ev): -17.0312 -17.0312 -12.1363 -12.1363 -5.6349 -5.6349 -4.1170 -4.1170 -2.4675 -2.4675 -2.0917 -2.0917 3.9600 3.9600 5.2066 5.2066 5.3977 5.3977 7.8221 7.8221 7.8422 7.8422 12.3133 12.3133 15.0078 15.0078 15.4713 15.4713 16.0871 16.0871 k = 0.1726 0.2958 0.6801 ( 1800 PWs) bands (ev): -17.0279 -17.0279 -12.1320 -12.1320 -5.6331 -5.6331 -4.1360 -4.1360 -2.5003 -2.5003 -2.0963 -2.0963 3.9609 3.9609 5.2441 5.2441 5.4419 5.4419 7.8007 7.8007 7.8191 7.8191 12.3226 12.3226 15.0568 15.0568 15.4580 15.4580 16.0155 16.0155 k = 0.1786 0.2883 0.6897 ( 1802 PWs) bands (ev): -17.0247 -17.0247 -12.1278 -12.1278 -5.6313 -5.6313 -4.1541 -4.1541 -2.5314 -2.5314 -2.1003 -2.1003 3.9618 3.9618 5.2795 5.2795 5.4835 5.4835 7.7806 7.7806 7.7976 7.7976 12.3313 12.3313 15.1035 15.1035 15.4460 15.4460 15.9478 15.9478 k = 0.1845 0.2808 0.6993 ( 1798 PWs) bands (ev): -17.0216 -17.0216 -12.1239 -12.1239 -5.6297 -5.6297 -4.1712 -4.1712 -2.5604 -2.5604 -2.1038 -2.1038 3.9626 3.9626 5.3126 5.3126 5.5223 5.5223 7.7618 7.7618 7.7777 7.7777 12.3395 12.3395 15.1476 15.1476 15.4352 15.4352 15.8841 15.8841 k = 0.1905 0.2733 0.7088 ( 1798 PWs) bands (ev): -17.0188 -17.0188 -12.1203 -12.1203 -5.6281 -5.6281 -4.1872 -4.1872 -2.5873 -2.5873 -2.1067 -2.1067 3.9634 3.9634 5.3432 5.3432 5.5582 5.5582 7.7445 7.7445 7.7593 7.7593 12.3469 12.3469 15.1888 15.1888 15.4259 15.4259 15.8247 15.8247 k = 0.1964 0.2658 0.7184 ( 1798 PWs) bands (ev): -17.0162 -17.0162 -12.1169 -12.1169 -5.6267 -5.6267 -4.2020 -4.2020 -2.6120 -2.6120 -2.1092 -2.1092 3.9641 3.9641 5.3713 5.3713 5.5910 5.5910 7.7287 7.7287 7.7427 7.7427 12.3537 12.3537 15.2269 15.2269 15.4179 15.4179 15.7700 15.7700 k = 0.2024 0.2583 0.7280 ( 1798 PWs) bands (ev): -17.0138 -17.0138 -12.1138 -12.1138 -5.6254 -5.6254 -4.2156 -4.2156 -2.6343 -2.6343 -2.1112 -2.1112 3.9648 3.9648 5.3966 5.3966 5.6206 5.6206 7.7144 7.7144 7.7278 7.7278 12.3598 12.3598 15.2615 15.2615 15.4113 15.4113 15.7200 15.7200 k = 0.2083 0.2508 0.7376 ( 1794 PWs) bands (ev): -17.0117 -17.0117 -12.1111 -12.1111 -5.6243 -5.6243 -4.2277 -4.2277 -2.6542 -2.6542 -2.1130 -2.1130 3.9654 3.9654 5.4192 5.4192 5.6470 5.6470 7.7018 7.7018 7.7146 7.7146 12.3652 12.3652 15.2924 15.2924 15.4063 15.4063 15.6751 15.6751 k = 0.2143 0.2433 0.7472 ( 1798 PWs) bands (ev): -17.0098 -17.0098 -12.1087 -12.1087 -5.6232 -5.6232 -4.2384 -4.2384 -2.6716 -2.6716 -2.1144 -2.1144 3.9659 3.9659 5.4389 5.4389 5.6700 5.6700 7.6908 7.6908 7.7031 7.7031 12.3699 12.3699 15.3192 15.3192 15.4027 15.4027 15.6353 15.6353 k = 0.2202 0.2358 0.7567 ( 1798 PWs) bands (ev): -17.0082 -17.0082 -12.1066 -12.1066 -5.6224 -5.6224 -4.2476 -4.2476 -2.6864 -2.6864 -2.1156 -2.1156 3.9663 3.9663 5.4557 5.4557 5.6896 5.6896 7.6814 7.6814 7.6935 7.6935 12.3738 12.3738 15.3417 15.3417 15.4006 15.4006 15.6009 15.6009 k = 0.2262 0.2283 0.7663 ( 1800 PWs) bands (ev): -17.0069 -17.0069 -12.1049 -12.1049 -5.6216 -5.6216 -4.2552 -4.2552 -2.6986 -2.6986 -2.1165 -2.1165 3.9667 3.9667 5.4695 5.4695 5.7057 5.7057 7.6737 7.6737 7.6856 7.6856 12.3771 12.3771 15.3596 15.3596 15.4001 15.4001 15.5722 15.5722 k = 0.2321 0.2208 0.7759 ( 1800 PWs) bands (ev): -17.0059 -17.0059 -12.1035 -12.1035 -5.6211 -5.6211 -4.2612 -4.2612 -2.7081 -2.7081 -2.1171 -2.1171 3.9670 3.9670 5.4802 5.4802 5.7183 5.7183 7.6677 7.6677 7.6794 7.6794 12.3797 12.3797 15.3728 15.3728 15.4009 15.4009 15.5494 15.5494 k = 0.2381 0.2133 0.7855 ( 1798 PWs) bands (ev): -17.0051 -17.0051 -12.1026 -12.1026 -5.6207 -5.6207 -4.2655 -4.2655 -2.7150 -2.7150 -2.1176 -2.1176 3.9672 3.9672 5.4879 5.4879 5.7273 5.7273 7.6634 7.6634 7.6751 7.6751 12.3815 12.3815 15.3817 15.3817 15.4023 15.4023 15.5330 15.5330 k = 0.2440 0.2058 0.7950 ( 1800 PWs) bands (ev): -17.0047 -17.0047 -12.1020 -12.1020 -5.6204 -5.6204 -4.2680 -4.2680 -2.7191 -2.7191 -2.1179 -2.1179 3.9674 3.9674 5.4926 5.4926 5.7327 5.7327 7.6608 7.6608 7.6724 7.6724 12.3826 12.3826 15.3868 15.3868 15.4033 15.4033 15.5231 15.5231 k = 0.2500 0.1983 0.8046 ( 1800 PWs) bands (ev): -17.0045 -17.0045 -12.1018 -12.1018 -5.6203 -5.6203 -4.2689 -4.2689 -2.7204 -2.7204 -2.1180 -2.1180 3.9674 3.9674 5.4941 5.4941 5.7345 5.7345 7.6600 7.6600 7.6715 7.6715 12.3830 12.3830 15.3885 15.3885 15.4036 15.4036 15.5198 15.5198 k = 0.2500 0.1983 0.8046 ( 1800 PWs) bands (ev): -17.0045 -17.0045 -12.1018 -12.1018 -5.6203 -5.6203 -4.2689 -4.2689 -2.7204 -2.7204 -2.1180 -2.1180 3.9674 3.9674 5.4941 5.4941 5.7345 5.7345 7.6600 7.6600 7.6715 7.6715 12.3830 12.3830 15.3885 15.3885 15.4036 15.4036 15.5198 15.5198 k = 0.2583 0.2049 0.7962 ( 1800 PWs) bands (ev): -17.0046 -17.0046 -12.1018 -12.1018 -5.6215 -5.6215 -4.2681 -4.2681 -2.7199 -2.7199 -2.1164 -2.1164 3.9652 3.9652 5.4937 5.4937 5.7340 5.7340 7.6143 7.6143 7.7176 7.7176 12.3861 12.3861 15.3750 15.3750 15.4178 15.4178 15.5216 15.5216 k = 0.2667 0.2115 0.7878 ( 1802 PWs) bands (ev): -17.0048 -17.0048 -12.1018 -12.1018 -5.6251 -5.6251 -4.2656 -4.2656 -2.7182 -2.7182 -2.1115 -2.1115 3.9587 3.9587 5.4922 5.4922 5.7323 5.7323 7.5644 7.5644 7.7689 7.7689 12.3955 12.3955 15.3559 15.3559 15.4390 15.4390 15.5269 15.5269 k = 0.2750 0.2181 0.7793 ( 1804 PWs) bands (ev): -17.0051 -17.0051 -12.1017 -12.1017 -5.6310 -5.6310 -4.2615 -4.2615 -2.7154 -2.7154 -2.1035 -2.1035 3.9479 3.9479 5.4898 5.4898 5.7297 5.7297 7.5155 7.5155 7.8200 7.8200 12.4109 12.4109 15.3365 15.3365 15.4617 15.4617 15.5359 15.5359 k = 0.2833 0.2247 0.7709 ( 1805 PWs) bands (ev): -17.0055 -17.0055 -12.1017 -12.1017 -5.6393 -5.6393 -4.2559 -4.2559 -2.7116 -2.7116 -2.0922 -2.0922 3.9331 3.9331 5.4863 5.4863 5.7262 5.7262 7.4679 7.4679 7.8708 7.8708 12.4324 12.4324 15.3173 15.3173 15.4851 15.4851 15.5493 15.5493 k = 0.2917 0.2313 0.7624 ( 1805 PWs) bands (ev): -17.0060 -17.0060 -12.1017 -12.1017 -5.6498 -5.6498 -4.2488 -4.2488 -2.7066 -2.7066 -2.0778 -2.0778 3.9144 3.9144 5.4817 5.4817 5.7218 5.7218 7.4219 7.4219 7.9211 7.9211 12.4597 12.4597 15.2983 15.2983 15.5083 15.5083 15.5678 15.5678 k = 0.3000 0.2379 0.7540 ( 1807 PWs) bands (ev): -17.0065 -17.0065 -12.1018 -12.1018 -5.6625 -5.6625 -4.2404 -4.2404 -2.7005 -2.7005 -2.0604 -2.0604 3.8920 3.8920 5.4758 5.4758 5.7168 5.7168 7.3777 7.3777 7.9707 7.9707 12.4925 12.4925 15.2796 15.2796 15.5307 15.5307 15.5920 15.5920 k = 0.3083 0.2445 0.7456 ( 1807 PWs) bands (ev): -17.0072 -17.0072 -12.1018 -12.1018 -5.6772 -5.6772 -4.2307 -4.2307 -2.6934 -2.6934 -2.0401 -2.0401 3.8663 3.8663 5.4686 5.4686 5.7111 5.7111 7.3354 7.3354 8.0195 8.0195 12.5306 12.5306 15.2612 15.2612 15.5527 15.5527 15.6216 15.6216 k = 0.3167 0.2512 0.7371 ( 1802 PWs) bands (ev): -17.0079 -17.0079 -12.1019 -12.1019 -5.6938 -5.6938 -4.2200 -4.2200 -2.6851 -2.6851 -2.0171 -2.0171 3.8376 3.8376 5.4599 5.4599 5.7050 5.7050 7.2952 7.2952 8.0674 8.0674 12.5737 12.5737 15.2432 15.2432 15.5751 15.5751 15.6558 15.6558 k = 0.3250 0.2578 0.7287 ( 1794 PWs) bands (ev): -17.0087 -17.0087 -12.1021 -12.1021 -5.7120 -5.7120 -4.2083 -4.2083 -2.6757 -2.6757 -1.9917 -1.9917 3.8061 3.8061 5.4497 5.4497 5.6986 5.6986 7.2575 7.2575 8.1142 8.1142 12.6212 12.6212 15.2254 15.2254 15.5985 15.5985 15.6937 15.6937 k = 0.3333 0.2644 0.7203 ( 1790 PWs) bands (ev): -17.0096 -17.0096 -12.1023 -12.1023 -5.7317 -5.7317 -4.1959 -4.1959 -2.6653 -2.6653 -1.9639 -1.9639 3.7722 3.7722 5.4378 5.4378 5.6920 5.6920 7.2224 7.2224 8.1598 8.1598 12.6730 12.6730 15.2077 15.2077 15.6236 15.6236 15.7347 15.7347 k = 0.3417 0.2710 0.7118 ( 1794 PWs) bands (ev): -17.0105 -17.0105 -12.1025 -12.1025 -5.7527 -5.7527 -4.1827 -4.1827 -2.6538 -2.6538 -1.9341 -1.9341 3.7363 3.7363 5.4240 5.4240 5.6852 5.6852 7.1901 7.1901 8.2040 8.2040 12.7283 12.7283 15.1903 15.1903 15.6504 15.6504 15.7785 15.7785 k = 0.3500 0.2776 0.7034 ( 1797 PWs) bands (ev): -17.0114 -17.0114 -12.1029 -12.1029 -5.7747 -5.7747 -4.1691 -4.1691 -2.6412 -2.6412 -1.9026 -1.9026 3.6989 3.6989 5.4084 5.4084 5.6785 5.6785 7.1608 7.1608 8.2467 8.2467 12.7868 12.7868 15.1730 15.1730 15.6790 15.6790 15.8248 15.8248 k = 0.3583 0.2842 0.6950 ( 1794 PWs) bands (ev): -17.0124 -17.0124 -12.1033 -12.1033 -5.7975 -5.7975 -4.1549 -4.1549 -2.6276 -2.6276 -1.8696 -1.8696 3.6603 3.6603 5.3907 5.3907 5.6719 5.6719 7.1348 7.1348 8.2879 8.2879 12.8480 12.8480 15.1559 15.1559 15.7094 15.7094 15.8730 15.8730 k = 0.3667 0.2908 0.6865 ( 1796 PWs) bands (ev): -17.0134 -17.0134 -12.1037 -12.1037 -5.8210 -5.8210 -4.1405 -4.1405 -2.6130 -2.6130 -1.8354 -1.8354 3.6210 3.6210 5.3711 5.3711 5.6655 5.6655 7.1123 7.1123 8.3273 8.3273 12.9113 12.9113 15.1390 15.1390 15.7415 15.7415 15.9230 15.9230 k = 0.3750 0.2974 0.6781 ( 1802 PWs) bands (ev): -17.0144 -17.0144 -12.1043 -12.1043 -5.8449 -5.8449 -4.1257 -4.1257 -2.5975 -2.5975 -1.8004 -1.8004 3.5814 3.5814 5.3493 5.3493 5.6592 5.6592 7.0934 7.0934 8.3650 8.3650 12.9761 12.9761 15.1221 15.1221 15.7752 15.7752 15.9742 15.9742 k = 0.3833 0.3040 0.6697 ( 1800 PWs) bands (ev): -17.0155 -17.0155 -12.1050 -12.1050 -5.8690 -5.8690 -4.1108 -4.1108 -2.5810 -2.5810 -1.7649 -1.7649 3.5420 3.5420 5.3255 5.3255 5.6531 5.6531 7.0784 7.0784 8.4007 8.4007 13.0417 13.0417 15.1054 15.1054 15.8101 15.8101 16.0259 16.0259 k = 0.3917 0.3106 0.6612 ( 1800 PWs) bands (ev): -17.0166 -17.0166 -12.1058 -12.1058 -5.8931 -5.8931 -4.0958 -4.0958 -2.5638 -2.5638 -1.7293 -1.7293 3.5031 3.5031 5.2997 5.2997 5.6471 5.6471 7.0674 7.0674 8.4345 8.4345 13.1075 13.1075 15.0887 15.0887 15.8462 15.8462 16.0771 16.0771 k = 0.4000 0.3172 0.6528 ( 1802 PWs) bands (ev): -17.0178 -17.0178 -12.1066 -12.1066 -5.9171 -5.9171 -4.0808 -4.0808 -2.5457 -2.5457 -1.6938 -1.6938 3.4654 3.4654 5.2718 5.2718 5.6414 5.6414 7.0605 7.0605 8.4662 8.4662 13.1727 13.1727 15.0721 15.0721 15.8832 15.8832 16.1267 16.1267 k = 0.4083 0.3239 0.6443 ( 1800 PWs) bands (ev): -17.0190 -17.0190 -12.1076 -12.1076 -5.9408 -5.9408 -4.0657 -4.0657 -2.5269 -2.5269 -1.6589 -1.6589 3.4292 3.4292 5.2421 5.2421 5.6357 5.6357 7.0578 7.0578 8.4957 8.4957 13.2367 13.2367 15.0556 15.0556 15.9207 15.9207 16.1726 16.1726 k = 0.4167 0.3305 0.6359 ( 1801 PWs) bands (ev): -17.0202 -17.0202 -12.1086 -12.1086 -5.9640 -5.9640 -4.0507 -4.0507 -2.5075 -2.5075 -1.6249 -1.6249 3.3948 3.3948 5.2107 5.2107 5.6301 5.6301 7.0593 7.0593 8.5231 8.5231 13.2985 13.2985 15.0391 15.0391 15.9584 15.9584 16.2119 16.2119 k = 0.4250 0.3371 0.6275 ( 1805 PWs) bands (ev): -17.0215 -17.0215 -12.1098 -12.1098 -5.9866 -5.9866 -4.0357 -4.0357 -2.4874 -2.4874 -1.5921 -1.5921 3.3629 3.3629 5.1776 5.1776 5.6247 5.6247 7.0651 7.0651 8.5482 8.5482 13.3575 13.3575 15.0227 15.0227 15.9959 15.9959 16.2403 16.2403 k = 0.4333 0.3437 0.6190 ( 1805 PWs) bands (ev): -17.0228 -17.0228 -12.1110 -12.1110 -6.0084 -6.0084 -4.0207 -4.0207 -2.4669 -2.4669 -1.5608 -1.5608 3.3337 3.3337 5.1430 5.1430 5.6192 5.6192 7.0753 7.0753 8.5711 8.5711 13.4126 13.4126 15.0063 15.0063 16.0327 16.0327 16.2521 16.2521 k = 0.4417 0.3503 0.6106 ( 1805 PWs) bands (ev): -17.0242 -17.0242 -12.1124 -12.1124 -6.0293 -6.0293 -4.0059 -4.0059 -2.4460 -2.4460 -1.5314 -1.5314 3.3076 3.3076 5.1071 5.1071 5.6137 5.6137 7.0897 7.0897 8.5917 8.5917 13.4631 13.4631 14.9900 14.9900 16.0680 16.0680 16.2414 16.2414 k = 0.4500 0.3569 0.6022 ( 1807 PWs) bands (ev): -17.0256 -17.0256 -12.1138 -12.1138 -6.0492 -6.0492 -3.9911 -3.9911 -2.4247 -2.4247 -1.5043 -1.5043 3.2850 3.2850 5.0702 5.0702 5.6082 5.6082 7.1082 7.1082 8.6100 8.6100 13.5080 13.5080 14.9736 14.9736 16.0990 16.0990 16.2067 16.2067 k = 0.4583 0.3635 0.5937 ( 1804 PWs) bands (ev): -17.0271 -17.0271 -12.1153 -12.1153 -6.0679 -6.0679 -3.9765 -3.9765 -2.4032 -2.4032 -1.4795 -1.4795 3.2661 3.2661 5.0323 5.0323 5.6027 5.6027 7.1309 7.1309 8.6259 8.6259 13.5466 13.5466 14.9574 14.9574 16.1044 16.1044 16.1713 16.1713 k = 0.4667 0.3701 0.5853 ( 1806 PWs) bands (ev): -17.0287 -17.0287 -12.1168 -12.1168 -6.0854 -6.0854 -3.9621 -3.9621 -2.3814 -2.3814 -1.4575 -1.4575 3.2513 3.2513 4.9936 4.9936 5.5970 5.5970 7.1576 7.1576 8.6396 8.6396 13.5779 13.5779 14.9412 14.9412 16.0402 16.0402 16.1853 16.1853 k = 0.4750 0.3767 0.5769 ( 1804 PWs) bands (ev): -17.0304 -17.0304 -12.1184 -12.1184 -6.1015 -6.1015 -3.9477 -3.9477 -2.3596 -2.3596 -1.4383 -1.4383 3.2407 3.2407 4.9545 4.9545 5.5912 5.5912 7.1880 7.1880 8.6509 8.6509 13.6012 13.6012 14.9251 14.9251 15.9484 15.9484 16.2127 16.2127 k = 0.4833 0.3833 0.5684 ( 1802 PWs) bands (ev): -17.0322 -17.0322 -12.1201 -12.1201 -6.1163 -6.1163 -3.9336 -3.9336 -2.3378 -2.3378 -1.4222 -1.4222 3.2345 3.2345 4.9151 4.9151 5.5854 5.5854 7.2221 7.2221 8.6600 8.6600 13.6160 13.6160 14.9091 14.9091 15.8470 15.8470 16.2405 16.2405 k = 0.4917 0.3900 0.5600 ( 1798 PWs) bands (ev): -17.0341 -17.0341 -12.1217 -12.1217 -6.1295 -6.1295 -3.9196 -3.9196 -2.3160 -2.3160 -1.4092 -1.4092 3.2328 3.2328 4.8755 4.8755 5.5793 5.5793 7.2597 7.2597 8.6668 8.6668 13.6217 13.6217 14.8932 14.8932 15.7406 15.7406 16.2668 16.2668 k = 0.5000 0.3966 0.5516 ( 1796 PWs) bands (ev): -17.0361 -17.0361 -12.1234 -12.1234 -6.1412 -6.1412 -3.9058 -3.9058 -2.2944 -2.2944 -1.3993 -1.3993 3.2356 3.2356 4.8361 4.8361 5.5732 5.5732 7.3005 7.3005 8.6713 8.6713 13.6180 13.6180 14.8775 14.8775 15.6318 15.6318 16.2913 16.2913 k = 0.5000 0.3966 0.5516 ( 1796 PWs) bands (ev): -17.0361 -17.0361 -12.1234 -12.1234 -6.1412 -6.1412 -3.9058 -3.9058 -2.2944 -2.2944 -1.3993 -1.3993 3.2356 3.2356 4.8361 4.8361 5.5732 5.5732 7.3005 7.3005 8.6713 8.6713 13.6180 13.6180 14.8775 14.8775 15.6318 15.6318 16.2913 16.2913 k = 0.5000 0.3966 0.5381 ( 1804 PWs) bands (ev): -17.0395 -17.0395 -12.1258 -12.1258 -6.1588 -6.1588 -3.8837 -3.8837 -2.2600 -2.2600 -1.3859 -1.3859 3.2440 3.2440 4.7743 4.7743 5.5633 5.5633 7.3689 7.3689 8.6769 8.6769 13.6044 13.6044 14.8533 14.8533 15.4570 15.4570 16.3252 16.3252 k = 0.5000 0.3966 0.5246 ( 1804 PWs) bands (ev): -17.0431 -17.0431 -12.1278 -12.1278 -6.1769 -6.1769 -3.8614 -3.8614 -2.2258 -2.2258 -1.3718 -1.3718 3.2526 3.2526 4.7147 4.7147 5.5535 5.5535 7.4386 7.4386 8.6827 8.6827 13.5902 13.5902 14.8308 14.8308 15.2823 15.2823 16.3521 16.3521 k = 0.5000 0.3966 0.5112 ( 1812 PWs) bands (ev): -17.0469 -17.0469 -12.1294 -12.1294 -6.1955 -6.1955 -3.8390 -3.8390 -2.1920 -2.1920 -1.3572 -1.3572 3.2615 3.2615 4.6579 4.6579 5.5438 5.5438 7.5093 7.5093 8.6886 8.6886 13.5756 13.5756 14.8102 14.8102 15.1083 15.1083 16.3713 16.3713 k = 0.5000 0.3966 0.4977 ( 1812 PWs) bands (ev): -17.0510 -17.0510 -12.1304 -12.1304 -6.2146 -6.2146 -3.8164 -3.8164 -2.1588 -2.1588 -1.3421 -1.3421 3.2707 3.2707 4.6045 4.6045 5.5343 5.5343 7.5808 7.5808 8.6947 8.6947 13.5605 13.5605 14.7913 14.7913 14.9360 14.9360 16.3827 16.3827 k = 0.5000 0.3966 0.4843 ( 1804 PWs) bands (ev): -17.0552 -17.0552 -12.1309 -12.1309 -6.2340 -6.2340 -3.7937 -3.7937 -2.1264 -2.1264 -1.3267 -1.3267 3.2801 3.2801 4.5551 4.5551 5.5248 5.5248 7.6526 7.6526 8.7008 8.7008 13.5452 13.5452 14.7488 14.7488 14.7912 14.7912 16.3864 16.3864 k = 0.5000 0.3966 0.4708 ( 1812 PWs) bands (ev): -17.0596 -17.0596 -12.1308 -12.1308 -6.2537 -6.2537 -3.7712 -3.7712 -2.0949 -2.0949 -1.3111 -1.3111 3.2897 3.2897 4.5101 4.5101 5.5156 5.5156 7.7245 7.7245 8.7070 8.7070 13.5295 13.5295 14.5879 14.5879 14.7695 14.7695 16.3828 16.3828 k = 0.5000 0.3966 0.4574 ( 1816 PWs) bands (ev): -17.0643 -17.0643 -12.1301 -12.1301 -6.2736 -6.2736 -3.7488 -3.7488 -2.0646 -2.0646 -1.2956 -1.2956 3.2995 3.2995 4.4699 4.4699 5.5064 5.5064 7.7961 7.7961 8.7133 8.7133 13.5136 13.5136 14.4196 14.4196 14.7606 14.7606 16.3721 16.3721 k = 0.5000 0.3966 0.4439 ( 1816 PWs) bands (ev): -17.0691 -17.0691 -12.1288 -12.1288 -6.2937 -6.2937 -3.7266 -3.7266 -2.0355 -2.0355 -1.2802 -1.2802 3.3095 3.3095 4.4350 4.4350 5.4975 5.4975 7.8671 7.8671 8.7197 8.7197 13.4977 13.4977 14.2528 14.2528 14.7560 14.7560 16.3551 16.3551 k = 0.5000 0.3966 0.4305 ( 1820 PWs) bands (ev): -17.0740 -17.0740 -12.1269 -12.1269 -6.3140 -6.3140 -3.7047 -3.7047 -2.0078 -2.0078 -1.2652 -1.2652 3.3196 3.3196 4.4057 4.4057 5.4888 5.4888 7.9371 7.9371 8.7261 8.7261 13.4816 13.4816 14.0882 14.0882 14.7559 14.7559 16.3323 16.3323 k = 0.5000 0.3966 0.4170 ( 1814 PWs) bands (ev): -17.0791 -17.0791 -12.1244 -12.1244 -6.3343 -6.3343 -3.6831 -3.6831 -1.9816 -1.9816 -1.2508 -1.2508 3.3299 3.3299 4.3824 4.3824 5.4804 5.4804 8.0058 8.0058 8.7325 8.7325 13.4655 13.4655 13.9262 13.9262 14.7603 14.7603 16.3042 16.3042 k = 0.5000 0.3966 0.4036 ( 1810 PWs) bands (ev): -17.0844 -17.0844 -12.1212 -12.1212 -6.3547 -6.3547 -3.6621 -3.6621 -1.9569 -1.9569 -1.2369 -1.2369 3.3402 3.3402 4.3652 4.3652 5.4722 5.4722 8.0728 8.0728 8.7389 8.7389 13.4489 13.4489 13.7675 13.7675 14.7695 14.7695 16.2715 16.2715 k = 0.5000 0.3966 0.3901 ( 1810 PWs) bands (ev): -17.0898 -17.0898 -12.1174 -12.1174 -6.3750 -6.3750 -3.6416 -3.6416 -1.9338 -1.9338 -1.2239 -1.2239 3.3506 3.3506 4.3543 4.3543 5.4643 5.4643 8.1380 8.1380 8.7452 8.7452 13.4304 13.4304 13.6140 13.6140 14.7839 14.7839 16.2347 16.2347 k = 0.5000 0.3966 0.3767 ( 1812 PWs) bands (ev): -17.0953 -17.0953 -12.1130 -12.1130 -6.3952 -6.3952 -3.6217 -3.6217 -1.9123 -1.9123 -1.2118 -1.2118 3.3610 3.3610 4.3499 4.3499 5.4568 5.4568 8.2009 8.2009 8.7516 8.7516 13.3970 13.3970 13.4787 13.4787 14.8036 14.8036 16.1943 16.1943 k = 0.5000 0.3966 0.3632 ( 1800 PWs) bands (ev): -17.1008 -17.1008 -12.1081 -12.1081 -6.4152 -6.4152 -3.6025 -3.6025 -1.8925 -1.8925 -1.2005 -1.2005 3.3714 3.3714 4.3520 4.3520 5.4497 5.4497 8.2613 8.2613 8.7578 8.7578 13.2880 13.2880 13.4231 13.4231 14.8289 14.8289 16.1506 16.1506 k = 0.5000 0.3966 0.3498 ( 1800 PWs) bands (ev): -17.1065 -17.1065 -12.1025 -12.1025 -6.4351 -6.4351 -3.5841 -3.5841 -1.8744 -1.8744 -1.1903 -1.1903 3.3818 3.3818 4.3604 4.3604 5.4429 5.4429 8.3189 8.3189 8.7640 8.7640 13.1465 13.1465 13.4037 13.4037 14.8600 14.8600 16.1041 16.1041 k = 0.5000 0.3966 0.3363 ( 1792 PWs) bands (ev): -17.1122 -17.1122 -12.0965 -12.0965 -6.4546 -6.4546 -3.5665 -3.5665 -1.8581 -1.8581 -1.1809 -1.1809 3.3920 3.3920 4.3752 4.3752 5.4365 5.4365 8.3736 8.3736 8.7702 8.7702 13.0045 13.0045 13.3892 13.3892 14.8972 14.8972 16.0551 16.0551 k = 0.5000 0.3966 0.3229 ( 1788 PWs) bands (ev): -17.1179 -17.1179 -12.0900 -12.0900 -6.4739 -6.4739 -3.5498 -3.5498 -1.8435 -1.8435 -1.1724 -1.1724 3.4021 3.4021 4.3959 4.3959 5.4306 5.4306 8.4252 8.4252 8.7762 8.7762 12.8653 12.8653 13.3763 13.3763 14.9405 14.9405 16.0039 16.0039 k = 0.5000 0.3966 0.3094 ( 1788 PWs) bands (ev): -17.1236 -17.1236 -12.0830 -12.0830 -6.4928 -6.4928 -3.5340 -3.5340 -1.8306 -1.8306 -1.1646 -1.1646 3.4120 3.4120 4.4225 4.4225 5.4251 5.4251 8.4735 8.4735 8.7821 8.7821 12.7296 12.7296 13.3645 13.3645 14.9902 14.9902 15.9506 15.9506 k = 0.5000 0.3966 0.2960 ( 1794 PWs) bands (ev): -17.1294 -17.1294 -12.0757 -12.0757 -6.5112 -6.5112 -3.5193 -3.5193 -1.8194 -1.8194 -1.1576 -1.1576 3.4217 3.4217 4.4545 4.4545 5.4201 5.4201 8.5185 8.5185 8.7878 8.7878 12.5979 12.5979 13.3536 13.3536 15.0463 15.0463 15.8955 15.8955 k = 0.5000 0.3966 0.2825 ( 1792 PWs) bands (ev): -17.1351 -17.1351 -12.0680 -12.0680 -6.5292 -6.5292 -3.5056 -3.5056 -1.8100 -1.8100 -1.1510 -1.1510 3.4312 3.4312 4.4914 4.4914 5.4157 5.4157 8.5600 8.5600 8.7935 8.7935 12.4704 12.4704 13.3435 13.3435 15.1089 15.1089 15.8388 15.8388 k = 0.5000 0.3966 0.2691 ( 1792 PWs) bands (ev): -17.1407 -17.1407 -12.0600 -12.0600 -6.5467 -6.5467 -3.4931 -3.4931 -1.8021 -1.8021 -1.1449 -1.1449 3.4404 3.4404 4.5329 4.5329 5.4117 5.4117 8.5981 8.5981 8.7990 8.7990 12.3473 12.3473 13.3341 13.3341 15.1780 15.1780 15.7806 15.7806 k = 0.5000 0.3966 0.2556 ( 1786 PWs) bands (ev): -17.1462 -17.1462 -12.0518 -12.0518 -6.5636 -6.5636 -3.4816 -3.4816 -1.7958 -1.7958 -1.1391 -1.1391 3.4493 3.4493 4.5783 4.5783 5.4083 5.4083 8.6328 8.6328 8.8043 8.8043 12.2289 12.2289 13.3253 13.3253 15.2536 15.2536 15.7212 15.7212 k = 0.5000 0.3966 0.2421 ( 1794 PWs) bands (ev): -17.1516 -17.1516 -12.0435 -12.0435 -6.5799 -6.5799 -3.4713 -3.4713 -1.7910 -1.7910 -1.1335 -1.1335 3.4579 3.4579 4.6270 4.6270 5.4054 5.4054 8.6641 8.6641 8.8095 8.8095 12.1152 12.1152 13.3172 13.3172 15.3355 15.3355 15.6608 15.6608 k = 0.5000 0.3966 0.2287 ( 1790 PWs) bands (ev): -17.1569 -17.1569 -12.0351 -12.0351 -6.5956 -6.5956 -3.4621 -3.4621 -1.7875 -1.7875 -1.1280 -1.1280 3.4662 3.4662 4.6785 4.6785 5.4031 5.4031 8.6922 8.6922 8.8145 8.8145 12.0065 12.0065 13.3097 13.3097 15.4234 15.4234 15.5999 15.5999 k = 0.5000 0.3966 0.2152 ( 1794 PWs) bands (ev): -17.1621 -17.1621 -12.0267 -12.0267 -6.6106 -6.6106 -3.4540 -3.4540 -1.7852 -1.7852 -1.1225 -1.1225 3.4741 3.4741 4.7319 4.7319 5.4014 5.4014 8.7172 8.7172 8.8194 8.8194 11.9030 11.9030 13.3027 13.3027 15.5118 15.5118 15.5441 15.5441 k = 0.5000 0.3966 0.2018 ( 1794 PWs) bands (ev): -17.1670 -17.1670 -12.0183 -12.0183 -6.6248 -6.6248 -3.4469 -3.4469 -1.7839 -1.7839 -1.1171 -1.1171 3.4816 3.4816 4.7866 4.7866 5.4004 5.4004 8.7392 8.7392 8.8241 8.8241 11.8048 11.8048 13.2962 13.2962 15.4734 15.4734 15.6206 15.6206 k = 0.5000 0.3966 0.1883 ( 1798 PWs) bands (ev): -17.1718 -17.1718 -12.0101 -12.0101 -6.6383 -6.6383 -3.4409 -3.4409 -1.7836 -1.7836 -1.1117 -1.1117 3.4888 3.4888 4.8418 4.8418 5.4001 5.4001 8.7583 8.7583 8.8287 8.8287 11.7120 11.7120 13.2902 13.2902 15.4120 15.4120 15.7260 15.7260 k = 0.5000 0.3966 0.1749 ( 1798 PWs) bands (ev): -17.1763 -17.1763 -12.0020 -12.0020 -6.6511 -6.6511 -3.4359 -3.4359 -1.7840 -1.7840 -1.1063 -1.1063 3.4955 3.4955 4.8967 4.8967 5.4006 5.4006 8.7748 8.7748 8.8331 8.8331 11.6249 11.6249 13.2847 13.2847 15.3506 15.3506 15.8373 15.8373 k = 0.5000 0.3966 0.1614 ( 1798 PWs) bands (ev): -17.1806 -17.1806 -11.9943 -11.9943 -6.6630 -6.6630 -3.4318 -3.4318 -1.7850 -1.7850 -1.1010 -1.1010 3.5018 3.5018 4.9505 4.9505 5.4020 5.4020 8.7888 8.7888 8.8375 8.8375 11.5435 11.5435 13.2797 13.2797 15.2902 15.2902 15.9538 15.9538 k = 0.5000 0.3966 0.1480 ( 1798 PWs) bands (ev): -17.1846 -17.1846 -11.9868 -11.9868 -6.6740 -6.6740 -3.4285 -3.4285 -1.7864 -1.7864 -1.0958 -1.0958 3.5077 3.5077 5.0023 5.0023 5.4045 5.4045 8.8006 8.8006 8.8417 8.8417 11.4680 11.4680 13.2751 13.2751 15.2314 15.2314 16.0750 16.0750 k = 0.5000 0.3966 0.1345 ( 1794 PWs) bands (ev): -17.1883 -17.1883 -11.9798 -11.9798 -6.6842 -6.6842 -3.4260 -3.4260 -1.7882 -1.7882 -1.0908 -1.0908 3.5131 3.5131 5.0512 5.0512 5.4081 5.4081 8.8102 8.8102 8.8458 8.8458 11.3986 11.3986 13.2710 13.2710 15.1746 15.1746 16.2006 16.2006 k = 0.5000 0.3966 0.1211 ( 1802 PWs) bands (ev): -17.1917 -17.1917 -11.9732 -11.9732 -6.6935 -6.6935 -3.4241 -3.4241 -1.7901 -1.7901 -1.0860 -1.0860 3.5181 3.5181 5.0962 5.0962 5.4131 5.4131 8.8180 8.8180 8.8498 8.8498 11.3354 11.3354 13.2672 13.2672 15.1207 15.1207 16.3301 16.3301 k = 0.5000 0.3966 0.1076 ( 1810 PWs) bands (ev): -17.1949 -17.1949 -11.9671 -11.9671 -6.7019 -6.7019 -3.4228 -3.4228 -1.7920 -1.7920 -1.0815 -1.0815 3.5225 3.5225 5.1366 5.1366 5.4197 5.4197 8.8242 8.8242 8.8535 8.8535 11.2784 11.2784 13.2639 13.2639 15.0702 15.0702 16.4631 16.4631 k = 0.5000 0.3966 0.0942 ( 1810 PWs) bands (ev): -17.1977 -17.1977 -11.9616 -11.9616 -6.7093 -6.7093 -3.4219 -3.4219 -1.7939 -1.7939 -1.0773 -1.0773 3.5265 3.5265 5.1716 5.1716 5.4280 5.4280 8.8292 8.8292 8.8570 8.8570 11.2279 11.2279 13.2609 13.2609 15.0237 15.0237 16.5989 16.5989 k = 0.5000 0.3966 0.0807 ( 1810 PWs) bands (ev): -17.2001 -17.2001 -11.9568 -11.9568 -6.7158 -6.7158 -3.4213 -3.4213 -1.7957 -1.7957 -1.0735 -1.0735 3.5299 3.5299 5.2007 5.2007 5.4377 5.4377 8.8330 8.8330 8.8600 8.8600 11.1839 11.1839 13.2584 13.2584 14.9820 14.9820 16.7366 16.7366 k = 0.5000 0.3966 0.0673 ( 1810 PWs) bands (ev): -17.2022 -17.2022 -11.9526 -11.9526 -6.7213 -6.7213 -3.4210 -3.4210 -1.7974 -1.7974 -1.0703 -1.0703 3.5329 3.5329 5.2239 5.2239 5.4484 5.4484 8.8360 8.8360 8.8626 8.8626 11.1465 11.1465 13.2563 13.2563 14.9455 14.9455 16.8709 16.8709 k = 0.5000 0.3966 0.0538 ( 1808 PWs) bands (ev): -17.2039 -17.2039 -11.9491 -11.9491 -6.7258 -6.7258 -3.4209 -3.4209 -1.7987 -1.7987 -1.0675 -1.0675 3.5353 3.5353 5.2415 5.2415 5.4593 5.4593 8.8383 8.8383 8.8647 8.8647 11.1158 11.1158 13.2545 13.2545 14.9149 14.9149 16.9291 16.9291 k = 0.5000 0.3966 0.0404 ( 1812 PWs) bands (ev): -17.2052 -17.2052 -11.9463 -11.9463 -6.7293 -6.7293 -3.4209 -3.4209 -1.7999 -1.7999 -1.0653 -1.0653 3.5372 3.5372 5.2541 5.2541 5.4692 5.4692 8.8400 8.8400 8.8663 8.8663 11.0919 11.0919 13.2532 13.2532 14.8905 14.8905 16.9196 16.9196 k = 0.5000 0.3966 0.0269 ( 1818 PWs) bands (ev): -17.2062 -17.2062 -11.9444 -11.9444 -6.7318 -6.7318 -3.4209 -3.4209 -1.8007 -1.8007 -1.0637 -1.0637 3.5385 3.5385 5.2625 5.2625 5.4772 5.4772 8.8411 8.8411 8.8675 8.8675 11.0747 11.0747 13.2522 13.2522 14.8729 14.8729 16.9097 16.9097 k = 0.5000 0.3966 0.0135 ( 1818 PWs) bands (ev): -17.2068 -17.2068 -11.9432 -11.9432 -6.7334 -6.7334 -3.4210 -3.4210 -1.8012 -1.8012 -1.0628 -1.0628 3.5393 3.5393 5.2673 5.2673 5.4823 5.4823 8.8418 8.8418 8.8682 8.8682 11.0644 11.0644 13.2516 13.2516 14.8621 14.8621 16.9035 16.9035 k = 0.5000 0.3966-0.0000 ( 1814 PWs) bands (ev): -17.2070 -17.2070 -11.9428 -11.9428 -6.7339 -6.7339 -3.4210 -3.4210 -1.8013 -1.8013 -1.0625 -1.0625 3.5396 3.5396 5.2689 5.2689 5.4841 5.4841 8.8420 8.8420 8.8684 8.8684 11.0610 11.0610 13.2514 13.2514 14.8586 14.8586 16.9013 16.9013 k = 0.0000 0.0000 0.8046 ( 1780 PWs) bands (ev): -17.0072 -17.0072 -12.0712 -12.0712 -5.9627 -5.9627 -4.1536 -4.1536 -2.6963 -2.6963 -1.5119 -1.5119 3.1531 3.1531 5.5678 5.5678 5.8187 5.8187 6.5756 6.5756 8.6138 8.6138 13.7473 13.7473 15.2421 15.2421 15.4780 15.4780 16.8469 16.8469 k = 0.0104 0.0083 0.8046 ( 1780 PWs) bands (ev): -17.0072 -17.0072 -12.0713 -12.0713 -5.9615 -5.9615 -4.1539 -4.1539 -2.6964 -2.6964 -1.5147 -1.5147 3.1567 3.1567 5.5674 5.5674 5.8181 5.8181 6.5785 6.5785 8.6118 8.6118 13.7401 13.7401 15.2421 15.2421 15.4783 15.4783 16.8321 16.8321 k = 0.0208 0.0165 0.8046 ( 1788 PWs) bands (ev): -17.0072 -17.0072 -12.0717 -12.0717 -5.9577 -5.9577 -4.1548 -4.1548 -2.6968 -2.6968 -1.5231 -1.5231 3.1675 3.1675 5.5661 5.5661 5.8162 5.8162 6.5872 6.5872 8.6059 8.6059 13.7189 13.7189 15.2421 15.2421 15.4790 15.4790 16.7905 16.7905 k = 0.0312 0.0248 0.8046 ( 1784 PWs) bands (ev): -17.0071 -17.0071 -12.0724 -12.0724 -5.9515 -5.9515 -4.1563 -4.1563 -2.6975 -2.6975 -1.5369 -1.5369 3.1853 3.1853 5.5641 5.5641 5.8133 5.8133 6.6016 6.6016 8.5962 8.5962 13.6844 13.6844 15.2421 15.2421 15.4801 15.4801 16.7285 16.7285 k = 0.0417 0.0330 0.8046 ( 1790 PWs) bands (ev): -17.0070 -17.0070 -12.0733 -12.0733 -5.9430 -5.9430 -4.1584 -4.1584 -2.6984 -2.6984 -1.5558 -1.5558 3.2096 3.2096 5.5613 5.5613 5.8095 5.8095 6.6213 6.6213 8.5826 8.5826 13.6375 13.6375 15.2421 15.2421 15.4815 15.4815 16.6531 16.6531 k = 0.0521 0.0413 0.8046 ( 1798 PWs) bands (ev): -17.0069 -17.0069 -12.0744 -12.0744 -5.9321 -5.9321 -4.1612 -4.1612 -2.6996 -2.6996 -1.5793 -1.5793 3.2402 3.2402 5.5579 5.5579 5.8049 5.8049 6.6461 6.6461 8.5651 8.5651 13.5799 13.5799 15.2422 15.2422 15.4832 15.4832 16.5698 16.5698 k = 0.0625 0.0496 0.8046 ( 1798 PWs) bands (ev): -17.0068 -17.0068 -12.0758 -12.0758 -5.9191 -5.9191 -4.1646 -4.1646 -2.7009 -2.7009 -1.6070 -1.6070 3.2762 3.2762 5.5539 5.5539 5.7998 5.7998 6.6756 6.6756 8.5440 8.5440 13.5130 13.5130 15.2425 15.2425 15.4850 15.4850 16.4828 16.4828 k = 0.0729 0.0578 0.8046 ( 1794 PWs) bands (ev): -17.0067 -17.0067 -12.0773 -12.0773 -5.9040 -5.9040 -4.1686 -4.1686 -2.7024 -2.7024 -1.6382 -1.6382 3.3171 3.3171 5.5495 5.5495 5.7944 5.7944 6.7095 6.7095 8.5191 8.5191 13.4386 13.4386 15.2429 15.2429 15.4869 15.4869 16.3948 16.3948 k = 0.0833 0.0661 0.8046 ( 1794 PWs) bands (ev): -17.0065 -17.0065 -12.0789 -12.0789 -5.8871 -5.8871 -4.1733 -4.1733 -2.7040 -2.7040 -1.6725 -1.6725 3.3621 3.3621 5.5447 5.5447 5.7888 5.7888 6.7475 6.7475 8.4906 8.4906 13.3582 13.3582 15.2436 15.2436 15.4887 15.4887 16.3076 16.3076 k = 0.0938 0.0744 0.8046 ( 1794 PWs) bands (ev): -17.0064 -17.0064 -12.0807 -12.0807 -5.8686 -5.8686 -4.1786 -4.1786 -2.7057 -2.7057 -1.7090 -1.7090 3.4104 3.4104 5.5397 5.5397 5.7831 5.7831 6.7891 6.7891 8.4587 8.4587 13.2737 13.2737 15.2447 15.2447 15.4906 15.4906 16.2224 16.2224 k = 0.1042 0.0826 0.8046 ( 1794 PWs) bands (ev): -17.0062 -17.0062 -12.0826 -12.0826 -5.8487 -5.8487 -4.1845 -4.1845 -2.7075 -2.7075 -1.7472 -1.7472 3.4611 3.4611 5.5347 5.5347 5.7775 5.7775 6.8341 6.8341 8.4233 8.4233 13.1865 13.1865 15.2463 15.2463 15.4923 15.4923 16.1402 16.1402 k = 0.1146 0.0909 0.8046 ( 1786 PWs) bands (ev): -17.0060 -17.0060 -12.0846 -12.0846 -5.8277 -5.8277 -4.1910 -4.1910 -2.7092 -2.7092 -1.7864 -1.7864 3.5134 3.5134 5.5296 5.5296 5.7721 5.7721 6.8821 6.8821 8.3847 8.3847 13.0984 13.0984 15.2484 15.2484 15.4939 15.4939 16.0614 16.0614 k = 0.1250 0.0991 0.8046 ( 1794 PWs) bands (ev): -17.0059 -17.0059 -12.0866 -12.0866 -5.8059 -5.8059 -4.1979 -4.1979 -2.7110 -2.7110 -1.8258 -1.8258 3.5664 3.5664 5.5246 5.5246 5.7669 5.7669 6.9329 6.9329 8.3429 8.3429 13.0105 13.0105 15.2512 15.2512 15.4954 15.4954 15.9865 15.9865 k = 0.1354 0.1074 0.8046 ( 1796 PWs) bands (ev): -17.0057 -17.0057 -12.0886 -12.0886 -5.7837 -5.7837 -4.2053 -4.2053 -2.7126 -2.7126 -1.8649 -1.8649 3.6191 3.6191 5.5199 5.5199 5.7621 5.7621 6.9862 6.9862 8.2982 8.2982 12.9244 12.9244 15.2549 15.2549 15.4967 15.4967 15.9158 15.9158 k = 0.1458 0.1157 0.8046 ( 1796 PWs) bands (ev): -17.0055 -17.0055 -12.0905 -12.0905 -5.7613 -5.7613 -4.2131 -4.2131 -2.7141 -2.7141 -1.9030 -1.9030 3.6708 3.6708 5.5155 5.5155 5.7575 5.7575 7.0416 7.0416 8.2507 8.2507 12.8413 12.8413 15.2596 15.2596 15.4978 15.4978 15.8494 15.8494 k = 0.1562 0.1239 0.8046 ( 1804 PWs) bands (ev): -17.0054 -17.0054 -12.0924 -12.0924 -5.7392 -5.7392 -4.2210 -4.2210 -2.7155 -2.7155 -1.9395 -1.9395 3.7206 3.7206 5.5114 5.5114 5.7533 5.7533 7.0991 7.0991 8.2005 8.2005 12.7621 12.7621 15.2654 15.2654 15.4987 15.4987 15.7874 15.7874 k = 0.1667 0.1322 0.8046 ( 1808 PWs) bands (ev): -17.0052 -17.0052 -12.0942 -12.0942 -5.7177 -5.7177 -4.2290 -4.2290 -2.7167 -2.7167 -1.9738 -1.9738 3.7676 3.7676 5.5077 5.5077 5.7495 5.7495 7.1583 7.1583 8.1480 8.1480 12.6883 12.6883 15.2725 15.2725 15.4992 15.4992 15.7300 15.7300 k = 0.1771 0.1404 0.8046 ( 1804 PWs) bands (ev): -17.0050 -17.0050 -12.0959 -12.0959 -5.6974 -5.6974 -4.2368 -4.2368 -2.7177 -2.7177 -2.0054 -2.0054 3.8112 3.8112 5.5045 5.5045 5.7460 5.7460 7.2190 7.2190 8.0932 8.0932 12.6207 12.6207 15.2811 15.2811 15.4991 15.4991 15.6773 15.6773 k = 0.1875 0.1487 0.8046 ( 1804 PWs) bands (ev): -17.0049 -17.0049 -12.0973 -12.0973 -5.6787 -5.6787 -4.2443 -4.2443 -2.7185 -2.7185 -2.0339 -2.0339 3.8505 3.8505 5.5017 5.5017 5.7430 5.7430 7.2809 7.2809 8.0364 8.0364 12.5602 12.5602 15.2913 15.2913 15.4982 15.4982 15.6296 15.6296 k = 0.1979 0.1570 0.8046 ( 1804 PWs) bands (ev): -17.0048 -17.0048 -12.0987 -12.0987 -5.6619 -5.6619 -4.2511 -4.2511 -2.7192 -2.7192 -2.0587 -2.0587 3.8849 3.8849 5.4993 5.4993 5.7405 5.7405 7.3438 7.3438 7.9778 7.9778 12.5076 12.5076 15.3033 15.3033 15.4954 15.4954 15.5878 15.5878 k = 0.2083 0.1652 0.8046 ( 1804 PWs) bands (ev): -17.0047 -17.0047 -12.0998 -12.0998 -5.6475 -5.6475 -4.2572 -4.2572 -2.7197 -2.7197 -2.0796 -2.0796 3.9140 3.9140 5.4974 5.4974 5.7383 5.7383 7.4076 7.4076 7.9176 7.9176 12.4635 12.4635 15.3172 15.3172 15.4882 15.4882 15.5543 15.5543 k = 0.2188 0.1735 0.8046 ( 1804 PWs) bands (ev): -17.0046 -17.0046 -12.1006 -12.1006 -5.6359 -5.6359 -4.2621 -4.2621 -2.7200 -2.7200 -2.0962 -2.0962 3.9370 3.9370 5.4960 5.4960 5.7367 5.7367 7.4718 7.4718 7.8561 7.8561 12.4286 12.4286 15.3333 15.3333 15.4722 15.4722 15.5333 15.5333 k = 0.2292 0.1818 0.8046 ( 1802 PWs) bands (ev): -17.0046 -17.0046 -12.1013 -12.1013 -5.6273 -5.6273 -4.2658 -4.2658 -2.7203 -2.7203 -2.1082 -2.1082 3.9538 3.9538 5.4949 5.4949 5.7355 5.7355 7.5364 7.5364 7.7935 7.7935 12.4034 12.4034 15.3515 15.3515 15.4483 15.4483 15.5241 15.5241 k = 0.2396 0.1900 0.8046 ( 1800 PWs) bands (ev): -17.0045 -17.0045 -12.1017 -12.1017 -5.6221 -5.6221 -4.2681 -4.2681 -2.7204 -2.7204 -2.1155 -2.1155 3.9640 3.9640 5.4943 5.4943 5.7347 5.7347 7.6010 7.6010 7.7301 7.7301 12.3881 12.3881 15.3718 15.3718 15.4225 15.4225 15.5207 15.5207 k = 0.2500 0.1983 0.8046 ( 1800 PWs) bands (ev): -17.0045 -17.0045 -12.1018 -12.1018 -5.6203 -5.6203 -4.2689 -4.2689 -2.7204 -2.7204 -2.1180 -2.1180 3.9674 3.9674 5.4941 5.4941 5.7345 5.7345 7.6600 7.6600 7.6715 7.6715 12.3830 12.3830 15.3885 15.3885 15.4036 15.4036 15.5198 15.5198 Writing output data file BaO2.save init_run : 0.13s CPU 0.29s WALL ( 1 calls) electrons : 62.40s CPU 63.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 62.40s CPU 63.94s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.02s WALL ( 413 calls) cegterg : 58.25s CPU 59.36s WALL ( 426 calls) Called by sum_band: Called by *egterg: h_psi : 27.45s CPU 27.87s WALL ( 7834 calls) s_psi : 0.89s CPU 0.92s WALL ( 7834 calls) g_psi : 0.07s CPU 0.07s WALL ( 6995 calls) cdiaghg : 28.28s CPU 28.98s WALL ( 7408 calls) cegterg:over : 1.79s CPU 1.84s WALL ( 6995 calls) cegterg:upda : 1.28s CPU 1.31s WALL ( 6995 calls) cegterg:last : 0.63s CPU 0.70s WALL ( 1297 calls) cdiaghg:chol : 1.44s CPU 1.42s WALL ( 7408 calls) cdiaghg:inve : 0.79s CPU 0.82s WALL ( 7408 calls) cdiaghg:para : 1.41s CPU 1.60s WALL ( 14816 calls) Called by h_psi: h_psi:vloc : 25.01s CPU 25.55s WALL ( 7834 calls) h_psi:vnl : 2.39s CPU 2.28s WALL ( 7834 calls) add_vuspsi : 1.17s CPU 1.19s WALL ( 7834 calls) General routines calbec : 1.18s CPU 1.07s WALL ( 7834 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 23.08s CPU 23.67s WALL ( 533248 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.18s WALL ( 826 calls) Parallel routines fft_scatter : 11.78s CPU 12.24s WALL ( 533271 calls) PWSCF : 1m11.97s CPU 1m33.00s WALL This run was terminated on: 14:14:18 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=