Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 0:16 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: ./Zr2Ni.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 44 38 10 1259 973 148 Max 45 39 11 1264 995 154 Sum 1615 1369 383 45429 35471 5423 bravais-lattice index = 14 lattice parameter (alat) = 9.9714 a.u. unit-cell volume = 741.8711 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.971378 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.246636 celldm(5)= -0.246636 celldm(6)= -0.506729 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.506729 0.862105 0.000000 ) a(3) = ( -0.246636 -0.431053 0.867966 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.587781 0.576060 ) b(2) = ( 0.000000 1.159951 0.576060 ) b(3) = ( 0.000000 0.000000 1.152119 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Ni 10.00 58.69340 Ni( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.2466355 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4310527 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.2466355 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4310527 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0000000 0.0164588), wk = 0.0031646 k( 3) = ( 0.0000000 0.0000000 0.0329177), wk = 0.0031646 k( 4) = ( 0.0000000 0.0000000 0.0493765), wk = 0.0031646 k( 5) = ( 0.0000000 0.0000000 0.0658354), wk = 0.0031646 k( 6) = ( 0.0000000 0.0000000 0.0822942), wk = 0.0031646 k( 7) = ( 0.0000000 0.0000000 0.0987531), wk = 0.0031646 k( 8) = ( 0.0000000 0.0000000 0.1152119), wk = 0.0031646 k( 9) = ( 0.0000000 0.0000000 0.1316708), wk = 0.0031646 k( 10) = ( 0.0000000 0.0000000 0.1481296), wk = 0.0031646 k( 11) = ( 0.0000000 0.0000000 0.1645885), wk = 0.0031646 k( 12) = ( 0.0000000 0.0000000 0.1810473), wk = 0.0031646 k( 13) = ( 0.0000000 0.0000000 0.1975062), wk = 0.0031646 k( 14) = ( 0.0000000 0.0000000 0.2139650), wk = 0.0031646 k( 15) = ( 0.0000000 0.0000000 0.2304239), wk = 0.0031646 k( 16) = ( 0.0000000 0.0000000 0.2468827), wk = 0.0031646 k( 17) = ( 0.0000000 0.0000000 0.2633415), wk = 0.0031646 k( 18) = ( 0.0000000 0.0000000 0.2798004), wk = 0.0031646 k( 19) = ( 0.0000000 0.0000000 0.2962592), wk = 0.0031646 k( 20) = ( 0.0000000 0.0000000 0.3127181), wk = 0.0031646 k( 21) = ( 0.0000000 0.0000000 0.3291769), wk = 0.0031646 k( 22) = ( 0.0000000 0.0000000 0.3456358), wk = 0.0031646 k( 23) = ( 0.0000000 0.0000000 0.3620946), wk = 0.0031646 k( 24) = ( 0.0000000 0.0000000 0.3785535), wk = 0.0031646 k( 25) = ( 0.0000000 0.0000000 0.3950123), wk = 0.0031646 k( 26) = ( 0.0000000 0.0000000 0.4114712), wk = 0.0031646 k( 27) = ( 0.0000000 0.0000000 0.4279300), wk = 0.0031646 k( 28) = ( 0.0000000 0.0000000 0.4443889), wk = 0.0031646 k( 29) = ( 0.0000000 0.0000000 0.4608477), wk = 0.0031646 k( 30) = ( 0.0000000 0.0000000 0.4773065), wk = 0.0031646 k( 31) = ( 0.0000000 0.0000000 0.4937654), wk = 0.0031646 k( 32) = ( 0.0000000 0.0000000 0.5102242), wk = 0.0031646 k( 33) = ( 0.0000000 0.0000000 0.5266831), wk = 0.0031646 k( 34) = ( 0.0000000 0.0000000 0.5431419), wk = 0.0031646 k( 35) = ( 0.0000000 0.0000000 0.5596008), wk = 0.0031646 k( 36) = ( 0.0000000 0.0000000 0.5760596), wk = 0.0031646 k( 37) = ( 0.0000000 0.0000000 0.5760596), wk = 0.0031646 k( 38) = ( -0.0142857 0.0081739 0.5760596), wk = 0.0031646 k( 39) = ( -0.0285714 0.0163477 0.5760596), wk = 0.0031646 k( 40) = ( -0.0428571 0.0245216 0.5760596), wk = 0.0031646 k( 41) = ( -0.0571429 0.0326954 0.5760596), wk = 0.0031646 k( 42) = ( -0.0714286 0.0408693 0.5760596), wk = 0.0031646 k( 43) = ( -0.0857143 0.0490432 0.5760596), wk = 0.0031646 k( 44) = ( -0.1000000 0.0572170 0.5760596), wk = 0.0031646 k( 45) = ( -0.1142857 0.0653909 0.5760596), wk = 0.0031646 k( 46) = ( -0.1285714 0.0735647 0.5760596), wk = 0.0031646 k( 47) = ( -0.1428571 0.0817386 0.5760596), wk = 0.0031646 k( 48) = ( -0.1571429 0.0899125 0.5760596), wk = 0.0031646 k( 49) = ( -0.1714286 0.0980863 0.5760596), wk = 0.0031646 k( 50) = ( -0.1857143 0.1062602 0.5760596), wk = 0.0031646 k( 51) = ( -0.2000000 0.1144340 0.5760596), wk = 0.0031646 k( 52) = ( -0.2142857 0.1226079 0.5760596), wk = 0.0031646 k( 53) = ( -0.2285714 0.1307818 0.5760596), wk = 0.0031646 k( 54) = ( -0.2428571 0.1389556 0.5760596), wk = 0.0031646 k( 55) = ( -0.2571429 0.1471295 0.5760596), wk = 0.0031646 k( 56) = ( -0.2714286 0.1553033 0.5760596), wk = 0.0031646 k( 57) = ( -0.2857143 0.1634772 0.5760596), wk = 0.0031646 k( 58) = ( -0.3000000 0.1716511 0.5760596), wk = 0.0031646 k( 59) = ( -0.3142857 0.1798249 0.5760596), wk = 0.0031646 k( 60) = ( -0.3285714 0.1879988 0.5760596), wk = 0.0031646 k( 61) = ( -0.3428571 0.1961727 0.5760596), wk = 0.0031646 k( 62) = ( -0.3571429 0.2043465 0.5760596), wk = 0.0031646 k( 63) = ( -0.3714286 0.2125204 0.5760596), wk = 0.0031646 k( 64) = ( -0.3857143 0.2206942 0.5760596), wk = 0.0031646 k( 65) = ( -0.4000000 0.2288681 0.5760596), wk = 0.0031646 k( 66) = ( -0.4142857 0.2370420 0.5760596), wk = 0.0031646 k( 67) = ( -0.4285714 0.2452158 0.5760596), wk = 0.0031646 k( 68) = ( -0.4428571 0.2533897 0.5760596), wk = 0.0031646 k( 69) = ( -0.4571429 0.2615635 0.5760596), wk = 0.0031646 k( 70) = ( -0.4714286 0.2697374 0.5760596), wk = 0.0031646 k( 71) = ( -0.4857143 0.2779113 0.5760596), wk = 0.0031646 k( 72) = ( -0.5000000 0.2860851 0.5760596), wk = 0.0031646 k( 73) = ( -0.5000000 0.2860851 0.5760596), wk = 0.0031646 k( 74) = ( -0.4897959 0.2802466 0.5643033), wk = 0.0031646 k( 75) = ( -0.4795918 0.2744082 0.5525470), wk = 0.0031646 k( 76) = ( -0.4693878 0.2685697 0.5407907), wk = 0.0031646 k( 77) = ( -0.4591837 0.2627312 0.5290343), wk = 0.0031646 k( 78) = ( -0.4489796 0.2568928 0.5172780), wk = 0.0031646 k( 79) = ( -0.4387755 0.2510543 0.5055217), wk = 0.0031646 k( 80) = ( -0.4285714 0.2452158 0.4937654), wk = 0.0031646 k( 81) = ( -0.4183674 0.2393773 0.4820091), wk = 0.0031646 k( 82) = ( -0.4081633 0.2335389 0.4702528), wk = 0.0031646 k( 83) = ( -0.3979592 0.2277004 0.4584964), wk = 0.0031646 k( 84) = ( -0.3877551 0.2218619 0.4467401), wk = 0.0031646 k( 85) = ( -0.3775510 0.2160235 0.4349838), wk = 0.0031646 k( 86) = ( -0.3673469 0.2101850 0.4232275), wk = 0.0031646 k( 87) = ( -0.3571429 0.2043465 0.4114712), wk = 0.0031646 k( 88) = ( -0.3469388 0.1985080 0.3997148), wk = 0.0031646 k( 89) = ( -0.3367347 0.1926696 0.3879585), wk = 0.0031646 k( 90) = ( -0.3265306 0.1868311 0.3762022), wk = 0.0031646 k( 91) = ( -0.3163265 0.1809926 0.3644459), wk = 0.0031646 k( 92) = ( -0.3061224 0.1751542 0.3526896), wk = 0.0031646 k( 93) = ( -0.2959184 0.1693157 0.3409333), wk = 0.0031646 k( 94) = ( -0.2857143 0.1634772 0.3291769), wk = 0.0031646 k( 95) = ( -0.2755102 0.1576387 0.3174206), wk = 0.0031646 k( 96) = ( -0.2653061 0.1518003 0.3056643), wk = 0.0031646 k( 97) = ( -0.2551020 0.1459618 0.2939080), wk = 0.0031646 k( 98) = ( -0.2448980 0.1401233 0.2821517), wk = 0.0031646 k( 99) = ( -0.2346939 0.1342849 0.2703953), wk = 0.0031646 k( 100) = ( -0.2244898 0.1284464 0.2586390), wk = 0.0031646 k( 101) = ( -0.2142857 0.1226079 0.2468827), wk = 0.0031646 k( 102) = ( -0.2040816 0.1167694 0.2351264), wk = 0.0031646 k( 103) = ( -0.1938776 0.1109310 0.2233701), wk = 0.0031646 k( 104) = ( -0.1836735 0.1050925 0.2116137), wk = 0.0031646 k( 105) = ( -0.1734694 0.0992540 0.1998574), wk = 0.0031646 k( 106) = ( -0.1632653 0.0934156 0.1881011), wk = 0.0031646 k( 107) = ( -0.1530612 0.0875771 0.1763448), wk = 0.0031646 k( 108) = ( -0.1428571 0.0817386 0.1645885), wk = 0.0031646 k( 109) = ( -0.1326531 0.0759001 0.1528321), wk = 0.0031646 k( 110) = ( -0.1224490 0.0700617 0.1410758), wk = 0.0031646 k( 111) = ( -0.1122449 0.0642232 0.1293195), wk = 0.0031646 k( 112) = ( -0.1020408 0.0583847 0.1175632), wk = 0.0031646 k( 113) = ( -0.0918367 0.0525462 0.1058069), wk = 0.0031646 k( 114) = ( -0.0816327 0.0467078 0.0940505), wk = 0.0031646 k( 115) = ( -0.0714286 0.0408693 0.0822942), wk = 0.0031646 k( 116) = ( -0.0612245 0.0350308 0.0705379), wk = 0.0031646 k( 117) = ( -0.0510204 0.0291924 0.0587816), wk = 0.0031646 k( 118) = ( -0.0408163 0.0233539 0.0470253), wk = 0.0031646 k( 119) = ( -0.0306122 0.0175154 0.0352690), wk = 0.0031646 k( 120) = ( -0.0204082 0.0116769 0.0235126), wk = 0.0031646 k( 121) = ( -0.0102041 0.0058385 0.0117563), wk = 0.0031646 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 124) = ( 0.0082738 0.0144604 -0.0000000), wk = 0.0031646 k( 125) = ( 0.0165476 0.0289207 -0.0000000), wk = 0.0031646 k( 126) = ( 0.0248214 0.0433811 -0.0000000), wk = 0.0031646 k( 127) = ( 0.0330951 0.0578414 -0.0000000), wk = 0.0031646 k( 128) = ( 0.0413689 0.0723018 -0.0000000), wk = 0.0031646 k( 129) = ( 0.0496427 0.0867622 -0.0000000), wk = 0.0031646 k( 130) = ( 0.0579165 0.1012225 -0.0000000), wk = 0.0031646 k( 131) = ( 0.0661903 0.1156829 -0.0000000), wk = 0.0031646 k( 132) = ( 0.0744641 0.1301432 -0.0000000), wk = 0.0031646 k( 133) = ( 0.0827379 0.1446036 -0.0000000), wk = 0.0031646 k( 134) = ( 0.0910117 0.1590640 -0.0000000), wk = 0.0031646 k( 135) = ( 0.0992854 0.1735243 -0.0000000), wk = 0.0031646 k( 136) = ( 0.1075592 0.1879847 -0.0000000), wk = 0.0031646 k( 137) = ( 0.1158330 0.2024450 -0.0000000), wk = 0.0031646 k( 138) = ( 0.1241068 0.2169054 -0.0000000), wk = 0.0031646 k( 139) = ( 0.1323806 0.2313658 -0.0000000), wk = 0.0031646 k( 140) = ( 0.1406544 0.2458261 -0.0000000), wk = 0.0031646 k( 141) = ( 0.1489282 0.2602865 -0.0000000), wk = 0.0031646 k( 142) = ( 0.1572020 0.2747468 -0.0000000), wk = 0.0031646 k( 143) = ( 0.1654758 0.2892072 -0.0000000), wk = 0.0031646 k( 144) = ( 0.1737495 0.3036676 -0.0000000), wk = 0.0031646 k( 145) = ( 0.1820233 0.3181279 -0.0000000), wk = 0.0031646 k( 146) = ( 0.1902971 0.3325883 -0.0000000), wk = 0.0031646 k( 147) = ( 0.1985709 0.3470487 -0.0000000), wk = 0.0031646 k( 148) = ( 0.2068447 0.3615090 -0.0000000), wk = 0.0031646 k( 149) = ( 0.2151185 0.3759694 -0.0000000), wk = 0.0031646 k( 150) = ( 0.2233923 0.3904297 -0.0000000), wk = 0.0031646 k( 151) = ( 0.2316661 0.4048901 -0.0000000), wk = 0.0031646 k( 152) = ( 0.2399399 0.4193505 -0.0000000), wk = 0.0031646 k( 153) = ( 0.2482136 0.4338108 -0.0000000), wk = 0.0031646 k( 154) = ( 0.2564874 0.4482712 -0.0000000), wk = 0.0031646 k( 155) = ( 0.2647612 0.4627315 -0.0000000), wk = 0.0031646 k( 156) = ( 0.2730350 0.4771919 -0.0000000), wk = 0.0031646 k( 157) = ( 0.2813088 0.4916523 -0.0000000), wk = 0.0031646 k( 158) = ( 0.2895826 0.5061126 -0.0000000), wk = 0.0031646 k( 159) = ( 0.2978564 0.5205730 -0.0000000), wk = 0.0031646 k( 160) = ( 0.3061301 0.5350333 -0.0000000), wk = 0.0031646 k( 161) = ( 0.3144039 0.5494937 -0.0000000), wk = 0.0031646 k( 162) = ( 0.3226777 0.5639541 -0.0000000), wk = 0.0031646 k( 163) = ( 0.3309515 0.5784144 -0.0000000), wk = 0.0031646 k( 164) = ( 0.3392253 0.5928748 -0.0000000), wk = 0.0031646 k( 165) = ( 0.3474991 0.6073351 -0.0000000), wk = 0.0031646 k( 166) = ( 0.3557729 0.6217955 -0.0000000), wk = 0.0031646 k( 167) = ( 0.3640467 0.6362558 -0.0000000), wk = 0.0031646 k( 168) = ( 0.3723205 0.6507162 -0.0000000), wk = 0.0031646 k( 169) = ( 0.3805942 0.6651766 -0.0000000), wk = 0.0031646 k( 170) = ( 0.3888680 0.6796369 -0.0000000), wk = 0.0031646 k( 171) = ( 0.3971418 0.6940973 -0.0000000), wk = 0.0031646 k( 172) = ( 0.4054156 0.7085576 -0.0000000), wk = 0.0031646 k( 173) = ( 0.4136894 0.7230180 -0.0000000), wk = 0.0031646 k( 174) = ( 0.4136894 0.7230180 -0.0000000), wk = 0.0031646 k( 175) = ( 0.4095972 0.7158659 0.0144015), wk = 0.0031646 k( 176) = ( 0.4055049 0.7087138 0.0288030), wk = 0.0031646 k( 177) = ( 0.4014127 0.7015616 0.0432045), wk = 0.0031646 k( 178) = ( 0.3973204 0.6944095 0.0576060), wk = 0.0031646 k( 179) = ( 0.3932282 0.6872574 0.0720075), wk = 0.0031646 k( 180) = ( 0.3891360 0.6801052 0.0864089), wk = 0.0031646 k( 181) = ( 0.3850438 0.6729531 0.1008104), wk = 0.0031646 k( 182) = ( 0.3809515 0.6658010 0.1152119), wk = 0.0031646 k( 183) = ( 0.3768593 0.6586489 0.1296134), wk = 0.0031646 k( 184) = ( 0.3727670 0.6514967 0.1440149), wk = 0.0031646 k( 185) = ( 0.3686748 0.6443446 0.1584164), wk = 0.0031646 k( 186) = ( 0.3645826 0.6371925 0.1728179), wk = 0.0031646 k( 187) = ( 0.3604903 0.6300404 0.1872194), wk = 0.0031646 k( 188) = ( 0.3563981 0.6228882 0.2016209), wk = 0.0031646 k( 189) = ( 0.3523059 0.6157361 0.2160224), wk = 0.0031646 k( 190) = ( 0.3482136 0.6085840 0.2304239), wk = 0.0031646 k( 191) = ( 0.3441214 0.6014318 0.2448253), wk = 0.0031646 k( 192) = ( 0.3400292 0.5942797 0.2592268), wk = 0.0031646 k( 193) = ( 0.3359369 0.5871276 0.2736283), wk = 0.0031646 k( 194) = ( 0.3318447 0.5799755 0.2880298), wk = 0.0031646 k( 195) = ( 0.3277525 0.5728233 0.3024313), wk = 0.0031646 k( 196) = ( 0.3236602 0.5656712 0.3168328), wk = 0.0031646 k( 197) = ( 0.3195680 0.5585191 0.3312343), wk = 0.0031646 k( 198) = ( 0.3154758 0.5513670 0.3456358), wk = 0.0031646 k( 199) = ( 0.3113835 0.5442148 0.3600373), wk = 0.0031646 k( 200) = ( 0.3072913 0.5370627 0.3744388), wk = 0.0031646 k( 201) = ( 0.3031991 0.5299106 0.3888402), wk = 0.0031646 k( 202) = ( 0.2991068 0.5227584 0.4032417), wk = 0.0031646 k( 203) = ( 0.2950146 0.5156063 0.4176432), wk = 0.0031646 k( 204) = ( 0.2909223 0.5084542 0.4320447), wk = 0.0031646 k( 205) = ( 0.2868301 0.5013020 0.4464462), wk = 0.0031646 k( 206) = ( 0.2827379 0.4941499 0.4608477), wk = 0.0031646 k( 207) = ( 0.2786456 0.4869978 0.4752492), wk = 0.0031646 k( 208) = ( 0.2745534 0.4798457 0.4896507), wk = 0.0031646 k( 209) = ( 0.2704612 0.4726935 0.5040522), wk = 0.0031646 k( 210) = ( 0.2663689 0.4655414 0.5184537), wk = 0.0031646 k( 211) = ( 0.2622767 0.4583893 0.5328552), wk = 0.0031646 k( 212) = ( 0.2581845 0.4512372 0.5472566), wk = 0.0031646 k( 213) = ( 0.2540922 0.4440850 0.5616581), wk = 0.0031646 k( 214) = ( 0.2500000 0.4369329 0.5760596), wk = 0.0031646 k( 215) = ( 0.2500000 0.4369329 0.5760596), wk = 0.0031646 k( 216) = ( 0.2400000 0.4426546 0.5645384), wk = 0.0031646 k( 217) = ( 0.2300000 0.4483763 0.5530172), wk = 0.0031646 k( 218) = ( 0.2200000 0.4540980 0.5414961), wk = 0.0031646 k( 219) = ( 0.2100000 0.4598197 0.5299749), wk = 0.0031646 k( 220) = ( 0.2000000 0.4655414 0.5184537), wk = 0.0031646 k( 221) = ( 0.1900000 0.4712631 0.5069325), wk = 0.0031646 k( 222) = ( 0.1800000 0.4769848 0.4954113), wk = 0.0031646 k( 223) = ( 0.1700000 0.4827065 0.4838901), wk = 0.0031646 k( 224) = ( 0.1600000 0.4884282 0.4723689), wk = 0.0031646 k( 225) = ( 0.1500000 0.4941499 0.4608477), wk = 0.0031646 k( 226) = ( 0.1400000 0.4998716 0.4493265), wk = 0.0031646 k( 227) = ( 0.1300000 0.5055933 0.4378053), wk = 0.0031646 k( 228) = ( 0.1200000 0.5113150 0.4262841), wk = 0.0031646 k( 229) = ( 0.1100000 0.5170367 0.4147629), wk = 0.0031646 k( 230) = ( 0.1000000 0.5227584 0.4032417), wk = 0.0031646 k( 231) = ( 0.0900000 0.5284801 0.3917205), wk = 0.0031646 k( 232) = ( 0.0800000 0.5342018 0.3801994), wk = 0.0031646 k( 233) = ( 0.0700000 0.5399235 0.3686782), wk = 0.0031646 k( 234) = ( 0.0600000 0.5456452 0.3571570), wk = 0.0031646 k( 235) = ( 0.0500000 0.5513669 0.3456358), wk = 0.0031646 k( 236) = ( 0.0400000 0.5570886 0.3341146), wk = 0.0031646 k( 237) = ( 0.0300000 0.5628103 0.3225934), wk = 0.0031646 k( 238) = ( 0.0200000 0.5685321 0.3110722), wk = 0.0031646 k( 239) = ( 0.0100000 0.5742538 0.2995510), wk = 0.0031646 k( 240) = ( 0.0000000 0.5799755 0.2880298), wk = 0.0031646 k( 241) = ( 0.0000000 0.5799755 0.2880298), wk = 0.0031646 k( 242) = ( -0.0129278 0.5755054 0.2970307), wk = 0.0031646 k( 243) = ( -0.0258556 0.5710353 0.3060317), wk = 0.0031646 k( 244) = ( -0.0387834 0.5665652 0.3150326), wk = 0.0031646 k( 245) = ( -0.0517112 0.5620951 0.3240335), wk = 0.0031646 k( 246) = ( -0.0646390 0.5576251 0.3330345), wk = 0.0031646 k( 247) = ( -0.0775668 0.5531550 0.3420354), wk = 0.0031646 k( 248) = ( -0.0904946 0.5486849 0.3510363), wk = 0.0031646 k( 249) = ( -0.1034223 0.5442148 0.3600373), wk = 0.0031646 k( 250) = ( -0.1163501 0.5397447 0.3690382), wk = 0.0031646 k( 251) = ( -0.1292779 0.5352747 0.3780391), wk = 0.0031646 k( 252) = ( -0.1422057 0.5308046 0.3870401), wk = 0.0031646 k( 253) = ( -0.1551335 0.5263345 0.3960410), wk = 0.0031646 k( 254) = ( -0.1680613 0.5218644 0.4050419), wk = 0.0031646 k( 255) = ( -0.1809891 0.5173943 0.4140429), wk = 0.0031646 k( 256) = ( -0.1939169 0.5129243 0.4230438), wk = 0.0031646 k( 257) = ( -0.2068447 0.5084542 0.4320447), wk = 0.0031646 k( 258) = ( -0.2197725 0.5039841 0.4410457), wk = 0.0031646 k( 259) = ( -0.2327003 0.4995140 0.4500466), wk = 0.0031646 k( 260) = ( -0.2456281 0.4950439 0.4590475), wk = 0.0031646 k( 261) = ( -0.2585559 0.4905739 0.4680484), wk = 0.0031646 k( 262) = ( -0.2714837 0.4861038 0.4770494), wk = 0.0031646 k( 263) = ( -0.2844115 0.4816337 0.4860503), wk = 0.0031646 k( 264) = ( -0.2973392 0.4771636 0.4950512), wk = 0.0031646 k( 265) = ( -0.3102670 0.4726935 0.5040522), wk = 0.0031646 k( 266) = ( -0.3231948 0.4682235 0.5130531), wk = 0.0031646 k( 267) = ( -0.3361226 0.4637534 0.5220540), wk = 0.0031646 k( 268) = ( -0.3490504 0.4592833 0.5310550), wk = 0.0031646 k( 269) = ( -0.3619782 0.4548132 0.5400559), wk = 0.0031646 k( 270) = ( -0.3749060 0.4503431 0.5490568), wk = 0.0031646 k( 271) = ( -0.3878338 0.4458731 0.5580578), wk = 0.0031646 k( 272) = ( -0.4007616 0.4414030 0.5670587), wk = 0.0031646 k( 273) = ( -0.4136894 0.4369329 0.5760596), wk = 0.0031646 k( 274) = ( -0.4136894 0.4369329 0.5760596), wk = 0.0031646 k( 275) = ( -0.4215358 0.4232195 0.5760596), wk = 0.0031646 k( 276) = ( -0.4293822 0.4095060 0.5760596), wk = 0.0031646 k( 277) = ( -0.4372286 0.3957926 0.5760596), wk = 0.0031646 k( 278) = ( -0.4450751 0.3820792 0.5760596), wk = 0.0031646 k( 279) = ( -0.4529215 0.3683657 0.5760596), wk = 0.0031646 k( 280) = ( -0.4607679 0.3546523 0.5760596), wk = 0.0031646 k( 281) = ( -0.4686143 0.3409389 0.5760596), wk = 0.0031646 k( 282) = ( -0.4764607 0.3272254 0.5760596), wk = 0.0031646 k( 283) = ( -0.4843072 0.3135120 0.5760596), wk = 0.0031646 k( 284) = ( -0.4921536 0.2997986 0.5760596), wk = 0.0031646 k( 285) = ( -0.5000000 0.2860851 0.5760596), wk = 0.0031646 k( 286) = ( 0.0000000 0.0000000 0.5760596), wk = 0.0031646 k( 287) = ( 0.0083333 0.0145644 0.5760596), wk = 0.0031646 k( 288) = ( 0.0166667 0.0291289 0.5760596), wk = 0.0031646 k( 289) = ( 0.0250000 0.0436933 0.5760596), wk = 0.0031646 k( 290) = ( 0.0333333 0.0582577 0.5760596), wk = 0.0031646 k( 291) = ( 0.0416667 0.0728222 0.5760596), wk = 0.0031646 k( 292) = ( 0.0500000 0.0873866 0.5760596), wk = 0.0031646 k( 293) = ( 0.0583333 0.1019510 0.5760596), wk = 0.0031646 k( 294) = ( 0.0666667 0.1165154 0.5760596), wk = 0.0031646 k( 295) = ( 0.0750000 0.1310799 0.5760596), wk = 0.0031646 k( 296) = ( 0.0833333 0.1456443 0.5760596), wk = 0.0031646 k( 297) = ( 0.0916667 0.1602087 0.5760596), wk = 0.0031646 k( 298) = ( 0.1000000 0.1747732 0.5760596), wk = 0.0031646 k( 299) = ( 0.1083333 0.1893376 0.5760596), wk = 0.0031646 k( 300) = ( 0.1166667 0.2039020 0.5760596), wk = 0.0031646 k( 301) = ( 0.1250000 0.2184664 0.5760596), wk = 0.0031646 k( 302) = ( 0.1333333 0.2330309 0.5760596), wk = 0.0031646 k( 303) = ( 0.1416667 0.2475953 0.5760596), wk = 0.0031646 k( 304) = ( 0.1500000 0.2621597 0.5760596), wk = 0.0031646 k( 305) = ( 0.1583333 0.2767242 0.5760596), wk = 0.0031646 k( 306) = ( 0.1666667 0.2912886 0.5760596), wk = 0.0031646 k( 307) = ( 0.1750000 0.3058530 0.5760596), wk = 0.0031646 k( 308) = ( 0.1833333 0.3204175 0.5760596), wk = 0.0031646 k( 309) = ( 0.1916667 0.3349819 0.5760596), wk = 0.0031646 k( 310) = ( 0.2000000 0.3495463 0.5760596), wk = 0.0031646 k( 311) = ( 0.2083333 0.3641107 0.5760596), wk = 0.0031646 k( 312) = ( 0.2166667 0.3786752 0.5760596), wk = 0.0031646 k( 313) = ( 0.2250000 0.3932396 0.5760596), wk = 0.0031646 k( 314) = ( 0.2333333 0.4078040 0.5760596), wk = 0.0031646 k( 315) = ( 0.2416667 0.4223685 0.5760596), wk = 0.0031646 k( 316) = ( 0.2500000 0.4369329 0.5760596), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0031646 k( 3) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0031646 k( 4) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0031646 k( 5) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0031646 k( 6) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0031646 k( 7) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0031646 k( 8) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0031646 k( 10) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0031646 k( 11) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0031646 k( 12) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0031646 k( 13) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0031646 k( 14) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0031646 k( 15) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0031646 k( 17) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0031646 k( 18) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0031646 k( 19) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0031646 k( 20) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0031646 k( 21) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0031646 k( 22) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0031646 k( 24) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0031646 k( 25) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0031646 k( 26) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0031646 k( 27) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0031646 k( 28) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0031646 k( 29) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0031646 k( 31) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0031646 k( 32) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0031646 k( 33) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0031646 k( 34) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0031646 k( 35) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0031646 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 38) = ( -0.0142857 0.0142857 0.5000000), wk = 0.0031646 k( 39) = ( -0.0285714 0.0285714 0.5000000), wk = 0.0031646 k( 40) = ( -0.0428571 0.0428571 0.5000000), wk = 0.0031646 k( 41) = ( -0.0571429 0.0571429 0.5000000), wk = 0.0031646 k( 42) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0031646 k( 43) = ( -0.0857143 0.0857143 0.5000000), wk = 0.0031646 k( 44) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0031646 k( 45) = ( -0.1142857 0.1142857 0.5000000), wk = 0.0031646 k( 46) = ( -0.1285714 0.1285714 0.5000000), wk = 0.0031646 k( 47) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0031646 k( 48) = ( -0.1571429 0.1571429 0.5000000), wk = 0.0031646 k( 49) = ( -0.1714286 0.1714286 0.5000000), wk = 0.0031646 k( 50) = ( -0.1857143 0.1857143 0.5000000), wk = 0.0031646 k( 51) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0031646 k( 52) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0031646 k( 53) = ( -0.2285714 0.2285714 0.5000000), wk = 0.0031646 k( 54) = ( -0.2428571 0.2428571 0.5000000), wk = 0.0031646 k( 55) = ( -0.2571429 0.2571429 0.5000000), wk = 0.0031646 k( 56) = ( -0.2714286 0.2714286 0.5000000), wk = 0.0031646 k( 57) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0031646 k( 58) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0031646 k( 59) = ( -0.3142857 0.3142857 0.5000000), wk = 0.0031646 k( 60) = ( -0.3285714 0.3285714 0.5000000), wk = 0.0031646 k( 61) = ( -0.3428571 0.3428571 0.5000000), wk = 0.0031646 k( 62) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0031646 k( 63) = ( -0.3714286 0.3714286 0.5000000), wk = 0.0031646 k( 64) = ( -0.3857143 0.3857143 0.5000000), wk = 0.0031646 k( 65) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0031646 k( 66) = ( -0.4142857 0.4142857 0.5000000), wk = 0.0031646 k( 67) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0031646 k( 68) = ( -0.4428571 0.4428571 0.5000000), wk = 0.0031646 k( 69) = ( -0.4571429 0.4571429 0.5000000), wk = 0.0031646 k( 70) = ( -0.4714286 0.4714286 0.5000000), wk = 0.0031646 k( 71) = ( -0.4857143 0.4857143 0.5000000), wk = 0.0031646 k( 72) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 73) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 74) = ( -0.4897959 0.4897959 0.4897959), wk = 0.0031646 k( 75) = ( -0.4795918 0.4795918 0.4795918), wk = 0.0031646 k( 76) = ( -0.4693878 0.4693878 0.4693878), wk = 0.0031646 k( 77) = ( -0.4591837 0.4591837 0.4591837), wk = 0.0031646 k( 78) = ( -0.4489796 0.4489796 0.4489796), wk = 0.0031646 k( 79) = ( -0.4387755 0.4387755 0.4387755), wk = 0.0031646 k( 80) = ( -0.4285714 0.4285714 0.4285714), wk = 0.0031646 k( 81) = ( -0.4183674 0.4183674 0.4183673), wk = 0.0031646 k( 82) = ( -0.4081633 0.4081633 0.4081633), wk = 0.0031646 k( 83) = ( -0.3979592 0.3979592 0.3979592), wk = 0.0031646 k( 84) = ( -0.3877551 0.3877551 0.3877551), wk = 0.0031646 k( 85) = ( -0.3775510 0.3775510 0.3775510), wk = 0.0031646 k( 86) = ( -0.3673469 0.3673469 0.3673469), wk = 0.0031646 k( 87) = ( -0.3571429 0.3571429 0.3571429), wk = 0.0031646 k( 88) = ( -0.3469388 0.3469388 0.3469388), wk = 0.0031646 k( 89) = ( -0.3367347 0.3367347 0.3367347), wk = 0.0031646 k( 90) = ( -0.3265306 0.3265306 0.3265306), wk = 0.0031646 k( 91) = ( -0.3163265 0.3163265 0.3163265), wk = 0.0031646 k( 92) = ( -0.3061224 0.3061224 0.3061224), wk = 0.0031646 k( 93) = ( -0.2959184 0.2959184 0.2959184), wk = 0.0031646 k( 94) = ( -0.2857143 0.2857143 0.2857143), wk = 0.0031646 k( 95) = ( -0.2755102 0.2755102 0.2755102), wk = 0.0031646 k( 96) = ( -0.2653061 0.2653061 0.2653061), wk = 0.0031646 k( 97) = ( -0.2551020 0.2551020 0.2551020), wk = 0.0031646 k( 98) = ( -0.2448980 0.2448980 0.2448980), wk = 0.0031646 k( 99) = ( -0.2346939 0.2346939 0.2346939), wk = 0.0031646 k( 100) = ( -0.2244898 0.2244898 0.2244898), wk = 0.0031646 k( 101) = ( -0.2142857 0.2142857 0.2142857), wk = 0.0031646 k( 102) = ( -0.2040816 0.2040816 0.2040816), wk = 0.0031646 k( 103) = ( -0.1938776 0.1938776 0.1938776), wk = 0.0031646 k( 104) = ( -0.1836735 0.1836735 0.1836735), wk = 0.0031646 k( 105) = ( -0.1734694 0.1734694 0.1734694), wk = 0.0031646 k( 106) = ( -0.1632653 0.1632653 0.1632653), wk = 0.0031646 k( 107) = ( -0.1530612 0.1530612 0.1530612), wk = 0.0031646 k( 108) = ( -0.1428571 0.1428571 0.1428571), wk = 0.0031646 k( 109) = ( -0.1326531 0.1326531 0.1326531), wk = 0.0031646 k( 110) = ( -0.1224490 0.1224490 0.1224490), wk = 0.0031646 k( 111) = ( -0.1122449 0.1122449 0.1122449), wk = 0.0031646 k( 112) = ( -0.1020408 0.1020408 0.1020408), wk = 0.0031646 k( 113) = ( -0.0918367 0.0918367 0.0918367), wk = 0.0031646 k( 114) = ( -0.0816327 0.0816327 0.0816327), wk = 0.0031646 k( 115) = ( -0.0714286 0.0714286 0.0714286), wk = 0.0031646 k( 116) = ( -0.0612245 0.0612245 0.0612245), wk = 0.0031646 k( 117) = ( -0.0510204 0.0510204 0.0510204), wk = 0.0031646 k( 118) = ( -0.0408163 0.0408163 0.0408163), wk = 0.0031646 k( 119) = ( -0.0306122 0.0306122 0.0306122), wk = 0.0031646 k( 120) = ( -0.0204082 0.0204082 0.0204082), wk = 0.0031646 k( 121) = ( -0.0102041 0.0102041 0.0102041), wk = 0.0031646 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 124) = ( 0.0082738 0.0082738 -0.0082738), wk = 0.0031646 k( 125) = ( 0.0165476 0.0165476 -0.0165476), wk = 0.0031646 k( 126) = ( 0.0248214 0.0248214 -0.0248214), wk = 0.0031646 k( 127) = ( 0.0330951 0.0330951 -0.0330951), wk = 0.0031646 k( 128) = ( 0.0413689 0.0413689 -0.0413689), wk = 0.0031646 k( 129) = ( 0.0496427 0.0496427 -0.0496427), wk = 0.0031646 k( 130) = ( 0.0579165 0.0579165 -0.0579165), wk = 0.0031646 k( 131) = ( 0.0661903 0.0661903 -0.0661903), wk = 0.0031646 k( 132) = ( 0.0744641 0.0744641 -0.0744641), wk = 0.0031646 k( 133) = ( 0.0827379 0.0827379 -0.0827379), wk = 0.0031646 k( 134) = ( 0.0910117 0.0910117 -0.0910117), wk = 0.0031646 k( 135) = ( 0.0992854 0.0992854 -0.0992854), wk = 0.0031646 k( 136) = ( 0.1075592 0.1075592 -0.1075592), wk = 0.0031646 k( 137) = ( 0.1158330 0.1158330 -0.1158330), wk = 0.0031646 k( 138) = ( 0.1241068 0.1241068 -0.1241068), wk = 0.0031646 k( 139) = ( 0.1323806 0.1323806 -0.1323806), wk = 0.0031646 k( 140) = ( 0.1406544 0.1406544 -0.1406544), wk = 0.0031646 k( 141) = ( 0.1489282 0.1489282 -0.1489282), wk = 0.0031646 k( 142) = ( 0.1572020 0.1572020 -0.1572020), wk = 0.0031646 k( 143) = ( 0.1654758 0.1654758 -0.1654758), wk = 0.0031646 k( 144) = ( 0.1737495 0.1737495 -0.1737495), wk = 0.0031646 k( 145) = ( 0.1820233 0.1820233 -0.1820233), wk = 0.0031646 k( 146) = ( 0.1902971 0.1902971 -0.1902971), wk = 0.0031646 k( 147) = ( 0.1985709 0.1985709 -0.1985709), wk = 0.0031646 k( 148) = ( 0.2068447 0.2068447 -0.2068447), wk = 0.0031646 k( 149) = ( 0.2151185 0.2151185 -0.2151185), wk = 0.0031646 k( 150) = ( 0.2233923 0.2233923 -0.2233923), wk = 0.0031646 k( 151) = ( 0.2316661 0.2316661 -0.2316661), wk = 0.0031646 k( 152) = ( 0.2399399 0.2399398 -0.2399398), wk = 0.0031646 k( 153) = ( 0.2482136 0.2482136 -0.2482136), wk = 0.0031646 k( 154) = ( 0.2564874 0.2564874 -0.2564874), wk = 0.0031646 k( 155) = ( 0.2647612 0.2647612 -0.2647612), wk = 0.0031646 k( 156) = ( 0.2730350 0.2730350 -0.2730350), wk = 0.0031646 k( 157) = ( 0.2813088 0.2813088 -0.2813088), wk = 0.0031646 k( 158) = ( 0.2895826 0.2895826 -0.2895826), wk = 0.0031646 k( 159) = ( 0.2978564 0.2978564 -0.2978564), wk = 0.0031646 k( 160) = ( 0.3061301 0.3061301 -0.3061301), wk = 0.0031646 k( 161) = ( 0.3144039 0.3144039 -0.3144039), wk = 0.0031646 k( 162) = ( 0.3226777 0.3226777 -0.3226777), wk = 0.0031646 k( 163) = ( 0.3309515 0.3309515 -0.3309515), wk = 0.0031646 k( 164) = ( 0.3392253 0.3392253 -0.3392253), wk = 0.0031646 k( 165) = ( 0.3474991 0.3474991 -0.3474991), wk = 0.0031646 k( 166) = ( 0.3557729 0.3557729 -0.3557729), wk = 0.0031646 k( 167) = ( 0.3640467 0.3640467 -0.3640467), wk = 0.0031646 k( 168) = ( 0.3723205 0.3723205 -0.3723204), wk = 0.0031646 k( 169) = ( 0.3805942 0.3805942 -0.3805942), wk = 0.0031646 k( 170) = ( 0.3888680 0.3888680 -0.3888680), wk = 0.0031646 k( 171) = ( 0.3971418 0.3971418 -0.3971418), wk = 0.0031646 k( 172) = ( 0.4054156 0.4054156 -0.4054156), wk = 0.0031646 k( 173) = ( 0.4136894 0.4136894 -0.4136894), wk = 0.0031646 k( 174) = ( 0.4136894 0.4136894 -0.4136894), wk = 0.0031646 k( 175) = ( 0.4095972 0.4095972 -0.3970972), wk = 0.0031646 k( 176) = ( 0.4055049 0.4055049 -0.3805049), wk = 0.0031646 k( 177) = ( 0.4014127 0.4014127 -0.3639127), wk = 0.0031646 k( 178) = ( 0.3973204 0.3973205 -0.3473205), wk = 0.0031646 k( 179) = ( 0.3932282 0.3932282 -0.3307282), wk = 0.0031646 k( 180) = ( 0.3891360 0.3891360 -0.3141360), wk = 0.0031646 k( 181) = ( 0.3850438 0.3850438 -0.2975437), wk = 0.0031646 k( 182) = ( 0.3809515 0.3809515 -0.2809515), wk = 0.0031646 k( 183) = ( 0.3768593 0.3768593 -0.2643593), wk = 0.0031646 k( 184) = ( 0.3727670 0.3727670 -0.2477670), wk = 0.0031646 k( 185) = ( 0.3686748 0.3686748 -0.2311748), wk = 0.0031646 k( 186) = ( 0.3645826 0.3645826 -0.2145826), wk = 0.0031646 k( 187) = ( 0.3604903 0.3604903 -0.1979903), wk = 0.0031646 k( 188) = ( 0.3563981 0.3563981 -0.1813981), wk = 0.0031646 k( 189) = ( 0.3523059 0.3523059 -0.1648059), wk = 0.0031646 k( 190) = ( 0.3482136 0.3482136 -0.1482136), wk = 0.0031646 k( 191) = ( 0.3441214 0.3441214 -0.1316214), wk = 0.0031646 k( 192) = ( 0.3400292 0.3400292 -0.1150292), wk = 0.0031646 k( 193) = ( 0.3359369 0.3359369 -0.0984369), wk = 0.0031646 k( 194) = ( 0.3318447 0.3318447 -0.0818447), wk = 0.0031646 k( 195) = ( 0.3277525 0.3277525 -0.0652525), wk = 0.0031646 k( 196) = ( 0.3236602 0.3236602 -0.0486602), wk = 0.0031646 k( 197) = ( 0.3195680 0.3195680 -0.0320680), wk = 0.0031646 k( 198) = ( 0.3154758 0.3154758 -0.0154758), wk = 0.0031646 k( 199) = ( 0.3113835 0.3113835 0.0011165), wk = 0.0031646 k( 200) = ( 0.3072913 0.3072913 0.0177087), wk = 0.0031646 k( 201) = ( 0.3031991 0.3031991 0.0343010), wk = 0.0031646 k( 202) = ( 0.2991068 0.2991068 0.0508932), wk = 0.0031646 k( 203) = ( 0.2950146 0.2950146 0.0674854), wk = 0.0031646 k( 204) = ( 0.2909223 0.2909223 0.0840776), wk = 0.0031646 k( 205) = ( 0.2868301 0.2868301 0.1006699), wk = 0.0031646 k( 206) = ( 0.2827379 0.2827379 0.1172621), wk = 0.0031646 k( 207) = ( 0.2786456 0.2786456 0.1338544), wk = 0.0031646 k( 208) = ( 0.2745534 0.2745534 0.1504466), wk = 0.0031646 k( 209) = ( 0.2704612 0.2704612 0.1670388), wk = 0.0031646 k( 210) = ( 0.2663689 0.2663689 0.1836311), wk = 0.0031646 k( 211) = ( 0.2622767 0.2622767 0.2002233), wk = 0.0031646 k( 212) = ( 0.2581845 0.2581845 0.2168155), wk = 0.0031646 k( 213) = ( 0.2540922 0.2540922 0.2334078), wk = 0.0031646 k( 214) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031646 k( 215) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031646 k( 216) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0031646 k( 217) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0031646 k( 218) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0031646 k( 219) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0031646 k( 220) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0031646 k( 221) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0031646 k( 222) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0031646 k( 223) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0031646 k( 224) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0031646 k( 225) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0031646 k( 226) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0031646 k( 227) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0031646 k( 228) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0031646 k( 229) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0031646 k( 230) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0031646 k( 231) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0031646 k( 232) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0031646 k( 233) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0031646 k( 234) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0031646 k( 235) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0031646 k( 236) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0031646 k( 237) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0031646 k( 238) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0031646 k( 239) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0031646 k( 240) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 241) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 242) = ( -0.0129278 0.5026972 0.0129278), wk = 0.0031646 k( 243) = ( -0.0258556 0.5053944 0.0258556), wk = 0.0031646 k( 244) = ( -0.0387834 0.5080916 0.0387834), wk = 0.0031646 k( 245) = ( -0.0517112 0.5107888 0.0517112), wk = 0.0031646 k( 246) = ( -0.0646390 0.5134860 0.0646390), wk = 0.0031646 k( 247) = ( -0.0775668 0.5161832 0.0775668), wk = 0.0031646 k( 248) = ( -0.0904946 0.5188805 0.0904945), wk = 0.0031646 k( 249) = ( -0.1034223 0.5215777 0.1034223), wk = 0.0031646 k( 250) = ( -0.1163501 0.5242749 0.1163501), wk = 0.0031646 k( 251) = ( -0.1292779 0.5269721 0.1292779), wk = 0.0031646 k( 252) = ( -0.1422057 0.5296693 0.1422057), wk = 0.0031646 k( 253) = ( -0.1551335 0.5323665 0.1551335), wk = 0.0031646 k( 254) = ( -0.1680613 0.5350637 0.1680613), wk = 0.0031646 k( 255) = ( -0.1809891 0.5377609 0.1809891), wk = 0.0031646 k( 256) = ( -0.1939169 0.5404581 0.1939169), wk = 0.0031646 k( 257) = ( -0.2068447 0.5431553 0.2068447), wk = 0.0031646 k( 258) = ( -0.2197725 0.5458525 0.2197725), wk = 0.0031646 k( 259) = ( -0.2327003 0.5485497 0.2327003), wk = 0.0031646 k( 260) = ( -0.2456281 0.5512469 0.2456281), wk = 0.0031646 k( 261) = ( -0.2585559 0.5539441 0.2585559), wk = 0.0031646 k( 262) = ( -0.2714837 0.5566413 0.2714837), wk = 0.0031646 k( 263) = ( -0.2844115 0.5593385 0.2844115), wk = 0.0031646 k( 264) = ( -0.2973392 0.5620357 0.2973392), wk = 0.0031646 k( 265) = ( -0.3102670 0.5647330 0.3102670), wk = 0.0031646 k( 266) = ( -0.3231948 0.5674302 0.3231948), wk = 0.0031646 k( 267) = ( -0.3361226 0.5701274 0.3361226), wk = 0.0031646 k( 268) = ( -0.3490504 0.5728246 0.3490504), wk = 0.0031646 k( 269) = ( -0.3619782 0.5755218 0.3619782), wk = 0.0031646 k( 270) = ( -0.3749060 0.5782190 0.3749060), wk = 0.0031646 k( 271) = ( -0.3878338 0.5809162 0.3878338), wk = 0.0031646 k( 272) = ( -0.4007616 0.5836134 0.4007616), wk = 0.0031646 k( 273) = ( -0.4136894 0.5863106 0.4136894), wk = 0.0031646 k( 274) = ( -0.4136894 0.5863106 0.4136894), wk = 0.0031646 k( 275) = ( -0.4215358 0.5784642 0.4215358), wk = 0.0031646 k( 276) = ( -0.4293822 0.5706178 0.4293822), wk = 0.0031646 k( 277) = ( -0.4372286 0.5627714 0.4372286), wk = 0.0031646 k( 278) = ( -0.4450751 0.5549249 0.4450751), wk = 0.0031646 k( 279) = ( -0.4529215 0.5470785 0.4529215), wk = 0.0031646 k( 280) = ( -0.4607679 0.5392321 0.4607679), wk = 0.0031646 k( 281) = ( -0.4686143 0.5313857 0.4686143), wk = 0.0031646 k( 282) = ( -0.4764607 0.5235393 0.4764607), wk = 0.0031646 k( 283) = ( -0.4843072 0.5156928 0.4843072), wk = 0.0031646 k( 284) = ( -0.4921536 0.5078464 0.4921536), wk = 0.0031646 k( 285) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 287) = ( 0.0083333 0.0083333 0.4916667), wk = 0.0031646 k( 288) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0031646 k( 289) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0031646 k( 290) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0031646 k( 291) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0031646 k( 292) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0031646 k( 293) = ( 0.0583333 0.0583333 0.4416667), wk = 0.0031646 k( 294) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0031646 k( 295) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0031646 k( 296) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0031646 k( 297) = ( 0.0916667 0.0916667 0.4083333), wk = 0.0031646 k( 298) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0031646 k( 299) = ( 0.1083333 0.1083333 0.3916667), wk = 0.0031646 k( 300) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0031646 k( 301) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0031646 k( 302) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0031646 k( 303) = ( 0.1416667 0.1416667 0.3583333), wk = 0.0031646 k( 304) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0031646 k( 305) = ( 0.1583333 0.1583333 0.3416667), wk = 0.0031646 k( 306) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0031646 k( 307) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0031646 k( 308) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0031646 k( 309) = ( 0.1916667 0.1916667 0.3083333), wk = 0.0031646 k( 310) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0031646 k( 311) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0031646 k( 312) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0031646 k( 313) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0031646 k( 314) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0031646 k( 315) = ( 0.2416667 0.2416667 0.2583333), wk = 0.0031646 k( 316) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031646 Dense grid: 45429 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 35471 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 278, 44) NL pseudopotentials 0.28 Mb ( 139, 132) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1260) G-vector shells 0.00 Mb ( 601) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 278, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 132, 2, 44) The potential is recalculated from file : ./Zr2Ni.save/charge-density.dat Starting wfc are 108 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 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 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.9 secs Computing kpt #: 12 total cpu time spent up to now is 8.5 secs Computing kpt #: 13 total cpu time spent up to now is 9.0 secs Computing kpt #: 14 total cpu time spent up to now is 9.6 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.8 secs Computing kpt #: 17 total cpu time spent up to now is 11.3 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.5 secs Computing kpt #: 20 total cpu time spent up to now is 13.1 secs Computing kpt #: 21 total cpu time spent up to now is 13.7 secs Computing kpt #: 22 total cpu time spent up to now is 14.2 secs Computing kpt #: 23 total cpu time spent up to now is 14.8 secs Computing kpt #: 24 total cpu time spent up to now is 15.4 secs Computing kpt #: 25 total cpu time spent up to now is 15.9 secs Computing kpt #: 26 total cpu time spent up to now is 16.5 secs Computing kpt #: 27 total cpu time spent up to now is 17.0 secs Computing kpt #: 28 total cpu time spent up to now is 17.6 secs Computing kpt #: 29 total cpu time spent up to now is 18.1 secs Computing kpt #: 30 total cpu time spent up to now is 18.6 secs Computing kpt #: 31 total cpu time spent up to now is 19.2 secs Computing kpt #: 32 total cpu time spent up to now is 19.7 secs Computing kpt #: 33 total cpu time spent up to now is 20.3 secs Computing kpt #: 34 total cpu time spent up to now is 20.8 secs Computing kpt #: 35 total cpu time spent up to now is 21.4 secs Computing kpt #: 36 total cpu time spent up to now is 21.9 secs Computing kpt #: 37 total cpu time spent up to now is 22.5 secs Computing kpt #: 38 total cpu time spent up to now is 23.0 secs Computing kpt #: 39 total cpu time spent up to now is 23.6 secs Computing kpt #: 40 total cpu time spent up to now is 24.2 secs Computing kpt #: 41 total cpu time spent up to now is 24.7 secs Computing kpt #: 42 total cpu time spent up to now is 25.3 secs Computing kpt #: 43 total cpu time spent up to now is 25.9 secs Computing kpt #: 44 total cpu time spent up to now is 26.4 secs Computing kpt #: 45 total cpu time spent up to now is 27.0 secs Computing kpt #: 46 total cpu time spent up to now is 27.5 secs Computing kpt #: 47 total cpu time spent up to now is 28.1 secs Computing kpt #: 48 total cpu time spent up to now is 28.7 secs Computing kpt #: 49 total cpu time spent up to now is 29.3 secs Computing kpt #: 50 total cpu time spent up to now is 29.9 secs Computing kpt #: 51 total cpu time spent up to now is 30.5 secs Computing kpt #: 52 total cpu time spent up to now is 31.2 secs Computing kpt #: 53 total cpu time spent up to now is 31.9 secs Computing kpt #: 54 total cpu time spent up to now is 32.5 secs Computing kpt #: 55 total cpu time spent up to now is 33.3 secs Computing kpt #: 56 total cpu time spent up to now is 33.9 secs Computing kpt #: 57 total cpu time spent up to now is 34.7 secs Computing kpt #: 58 total cpu time spent up to now is 35.4 secs Computing kpt #: 59 total cpu time spent up to now is 36.2 secs Computing kpt #: 60 total cpu time spent up to now is 37.1 secs Computing kpt #: 61 total cpu time spent up to now is 38.0 secs Computing kpt #: 62 total cpu time spent up to now is 38.8 secs Computing kpt #: 63 total cpu time spent up to now is 39.7 secs Computing kpt #: 64 total cpu time spent up to now is 40.6 secs Computing kpt #: 65 total cpu time spent up to now is 41.7 secs Computing kpt #: 66 total cpu time spent up to now is 42.8 secs Computing kpt #: 67 total cpu time spent up to now is 43.8 secs Computing kpt #: 68 total cpu time spent up to now is 44.7 secs Computing kpt #: 69 total cpu time spent up to now is 45.6 secs Computing kpt #: 70 total cpu time spent up to now is 46.5 secs Computing kpt #: 71 total cpu time spent up to now is 47.4 secs Computing kpt #: 72 total cpu time spent up to now is 48.2 secs Computing kpt #: 73 total cpu time spent up to now is 49.3 secs Computing kpt #: 74 total cpu time spent up to now is 50.3 secs Computing kpt #: 75 total cpu time spent up to now is 51.2 secs Computing kpt #: 76 total cpu time spent up to now is 52.1 secs Computing kpt #: 77 total cpu time spent up to now is 53.0 secs Computing kpt #: 78 total cpu time spent up to now is 54.4 secs Computing kpt #: 79 total cpu time spent up to now is 55.5 secs Computing kpt #: 80 total cpu time spent up to now is 56.5 secs Computing kpt #: 81 total cpu time spent up to now is 57.5 secs Computing kpt #: 82 total cpu time spent up to now is 58.4 secs Computing kpt #: 83 total cpu time spent up to now is 59.3 secs Computing kpt #: 84 total cpu time spent up to now is 60.1 secs Computing kpt #: 85 total cpu time spent up to now is 61.0 secs Computing kpt #: 86 total cpu time spent up to now is 61.8 secs Computing kpt #: 87 total cpu time spent up to now is 62.5 secs Computing kpt #: 88 total cpu time spent up to now is 63.2 secs Computing kpt #: 89 total cpu time spent up to now is 63.9 secs Computing kpt #: 90 total cpu time spent up to now is 64.6 secs Computing kpt #: 91 total cpu time spent up to now is 65.2 secs Computing kpt #: 92 total cpu time spent up to now is 65.9 secs Computing kpt #: 93 total cpu time spent up to now is 66.6 secs Computing kpt #: 94 total cpu time spent up to now is 67.3 secs Computing kpt #: 95 total cpu time spent up to now is 67.9 secs Computing kpt #: 96 total cpu time spent up to now is 68.5 secs Computing kpt #: 97 total cpu time spent up to now is 69.1 secs Computing kpt #: 98 total cpu time spent up to now is 69.7 secs Computing kpt #: 99 total cpu time spent up to now is 70.3 secs Computing kpt #: 100 total cpu time spent up to now is 70.9 secs Computing kpt #: 101 total cpu time spent up to now is 71.5 secs Computing kpt #: 102 total cpu time spent up to now is 72.1 secs Computing kpt #: 103 total cpu time spent up to now is 72.7 secs Computing kpt #: 104 total cpu time spent up to now is 73.3 secs Computing kpt #: 105 total cpu time spent up to now is 73.9 secs Computing kpt #: 106 total cpu time spent up to now is 74.5 secs Computing kpt #: 107 total cpu time spent up to now is 75.1 secs Computing kpt #: 108 total cpu time spent up to now is 75.7 secs Computing kpt #: 109 total cpu time spent up to now is 76.3 secs Computing kpt #: 110 total cpu time spent up to now is 76.9 secs Computing kpt #: 111 total cpu time spent up to now is 77.5 secs Computing kpt #: 112 total cpu time spent up to now is 78.2 secs Computing kpt #: 113 total cpu time spent up to now is 78.8 secs Computing kpt #: 114 total cpu time spent up to now is 79.4 secs Computing kpt #: 115 total cpu time spent up to now is 80.0 secs Computing kpt #: 116 total cpu time spent up to now is 80.6 secs Computing kpt #: 117 total cpu time spent up to now is 81.1 secs Computing kpt #: 118 total cpu time spent up to now is 81.7 secs Computing kpt #: 119 total cpu time spent up to now is 82.3 secs Computing kpt #: 120 total cpu time spent up to now is 82.8 secs Computing kpt #: 121 total cpu time spent up to now is 83.3 secs Computing kpt #: 122 total cpu time spent up to now is 83.9 secs Computing kpt #: 123 total cpu time spent up to now is 84.4 secs Computing kpt #: 124 total cpu time spent up to now is 85.0 secs Computing kpt #: 125 total cpu time spent up to now is 85.5 secs Computing kpt #: 126 total cpu time spent up to now is 86.0 secs Computing kpt #: 127 total cpu time spent up to now is 86.6 secs Computing kpt #: 128 total cpu time spent up to now is 87.2 secs Computing kpt #: 129 total cpu time spent up to now is 87.7 secs Computing kpt #: 130 total cpu time spent up to now is 88.3 secs Computing kpt #: 131 total cpu time spent up to now is 88.9 secs Computing kpt #: 132 total cpu time spent up to now is 89.6 secs Computing kpt #: 133 total cpu time spent up to now is 90.4 secs Computing kpt #: 134 total cpu time spent up to now is 91.5 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.0 secs Computing kpt #: 136 total cpu time spent up to now is 93.9 secs Computing kpt #: 137 total cpu time spent up to now is 94.6 secs Computing kpt #: 138 total cpu time spent up to now is 95.3 secs Computing kpt #: 139 total cpu time spent up to now is 96.0 secs Computing kpt #: 140 total cpu time spent up to now is 96.7 secs Computing kpt #: 141 total cpu time spent up to now is 97.5 secs Computing kpt #: 142 total cpu time spent up to now is 98.3 secs Computing kpt #: 143 total cpu time spent up to now is 99.0 secs Computing kpt #: 144 total cpu time spent up to now is 99.7 secs Computing kpt #: 145 total cpu time spent up to now is 100.4 secs Computing kpt #: 146 total cpu time spent up to now is 101.2 secs Computing kpt #: 147 total cpu time spent up to now is 101.9 secs Computing kpt #: 148 total cpu time spent up to now is 102.7 secs Computing kpt #: 149 total cpu time spent up to now is 103.4 secs Computing kpt #: 150 total cpu time spent up to now is 104.1 secs Computing kpt #: 151 total cpu time spent up to now is 104.8 secs Computing kpt #: 152 total cpu time spent up to now is 105.5 secs Computing kpt #: 153 total cpu time spent up to now is 106.2 secs Computing kpt #: 154 total cpu time spent up to now is 106.9 secs Computing kpt #: 155 total cpu time spent up to now is 107.5 secs Computing kpt #: 156 total cpu time spent up to now is 108.1 secs Computing kpt #: 157 total cpu time spent up to now is 108.7 secs Computing kpt #: 158 total cpu time spent up to now is 109.3 secs Computing kpt #: 159 total cpu time spent up to now is 110.0 secs Computing kpt #: 160 total cpu time spent up to now is 110.7 secs Computing kpt #: 161 total cpu time spent up to now is 111.4 secs Computing kpt #: 162 total cpu time spent up to now is 112.1 secs Computing kpt #: 163 total cpu time spent up to now is 112.9 secs Computing kpt #: 164 total cpu time spent up to now is 113.6 secs Computing kpt #: 165 total cpu time spent up to now is 114.5 secs Computing kpt #: 166 total cpu time spent up to now is 115.4 secs Computing kpt #: 167 total cpu time spent up to now is 116.7 secs Computing kpt #: 168 total cpu time spent up to now is 117.8 secs Computing kpt #: 169 total cpu time spent up to now is 118.7 secs Computing kpt #: 170 total cpu time spent up to now is 119.7 secs Computing kpt #: 171 total cpu time spent up to now is 120.6 secs Computing kpt #: 172 total cpu time spent up to now is 121.5 secs Computing kpt #: 173 total cpu time spent up to now is 122.6 secs Computing kpt #: 174 total cpu time spent up to now is 123.6 secs Computing kpt #: 175 total cpu time spent up to now is 124.5 secs Computing kpt #: 176 total cpu time spent up to now is 125.9 secs Computing kpt #: 177 total cpu time spent up to now is 126.9 secs Computing kpt #: 178 total cpu time spent up to now is 127.9 secs Computing kpt #: 179 total cpu time spent up to now is 128.8 secs Computing kpt #: 180 total cpu time spent up to now is 129.6 secs Computing kpt #: 181 total cpu time spent up to now is 130.5 secs Computing kpt #: 182 total cpu time spent up to now is 131.2 secs Computing kpt #: 183 total cpu time spent up to now is 132.0 secs Computing kpt #: 184 total cpu time spent up to now is 132.9 secs Computing kpt #: 185 total cpu time spent up to now is 133.8 secs Computing kpt #: 186 total cpu time spent up to now is 134.8 secs Computing kpt #: 187 total cpu time spent up to now is 135.7 secs Computing kpt #: 188 total cpu time spent up to now is 136.7 secs Computing kpt #: 189 total cpu time spent up to now is 137.7 secs Computing kpt #: 190 total cpu time spent up to now is 138.7 secs Computing kpt #: 191 total cpu time spent up to now is 139.6 secs Computing kpt #: 192 total cpu time spent up to now is 140.5 secs Computing kpt #: 193 total cpu time spent up to now is 141.5 secs Computing kpt #: 194 total cpu time spent up to now is 142.3 secs Computing kpt #: 195 total cpu time spent up to now is 143.1 secs Computing kpt #: 196 total cpu time spent up to now is 144.0 secs Computing kpt #: 197 total cpu time spent up to now is 144.7 secs Computing kpt #: 198 total cpu time spent up to now is 145.4 secs Computing kpt #: 199 total cpu time spent up to now is 146.2 secs Computing kpt #: 200 total cpu time spent up to now is 146.9 secs Computing kpt #: 201 total cpu time spent up to now is 147.7 secs Computing kpt #: 202 total cpu time spent up to now is 148.5 secs Computing kpt #: 203 total cpu time spent up to now is 149.3 secs Computing kpt #: 204 total cpu time spent up to now is 150.1 secs Computing kpt #: 205 total cpu time spent up to now is 150.9 secs Computing kpt #: 206 total cpu time spent up to now is 151.7 secs Computing kpt #: 207 total cpu time spent up to now is 152.4 secs Computing kpt #: 208 total cpu time spent up to now is 153.1 secs Computing kpt #: 209 total cpu time spent up to now is 153.8 secs Computing kpt #: 210 total cpu time spent up to now is 154.4 secs Computing kpt #: 211 total cpu time spent up to now is 154.9 secs Computing kpt #: 212 total cpu time spent up to now is 155.6 secs Computing kpt #: 213 total cpu time spent up to now is 156.1 secs Computing kpt #: 214 total cpu time spent up to now is 156.7 secs Computing kpt #: 215 total cpu time spent up to now is 157.2 secs Computing kpt #: 216 total cpu time spent up to now is 157.8 secs Computing kpt #: 217 total cpu time spent up to now is 158.3 secs Computing kpt #: 218 total cpu time spent up to now is 159.0 secs Computing kpt #: 219 total cpu time spent up to now is 159.6 secs Computing kpt #: 220 total cpu time spent up to now is 160.3 secs Computing kpt #: 221 total cpu time spent up to now is 161.0 secs Computing kpt #: 222 total cpu time spent up to now is 161.8 secs Computing kpt #: 223 total cpu time spent up to now is 162.5 secs Computing kpt #: 224 total cpu time spent up to now is 163.3 secs Computing kpt #: 225 total cpu time spent up to now is 164.1 secs Computing kpt #: 226 total cpu time spent up to now is 164.9 secs Computing kpt #: 227 total cpu time spent up to now is 165.8 secs Computing kpt #: 228 total cpu time spent up to now is 166.7 secs Computing kpt #: 229 total cpu time spent up to now is 167.7 secs Computing kpt #: 230 total cpu time spent up to now is 168.6 secs Computing kpt #: 231 total cpu time spent up to now is 169.4 secs Computing kpt #: 232 total cpu time spent up to now is 170.3 secs Computing kpt #: 233 total cpu time spent up to now is 171.0 secs Computing kpt #: 234 total cpu time spent up to now is 171.8 secs Computing kpt #: 235 total cpu time spent up to now is 172.6 secs Computing kpt #: 236 total cpu time spent up to now is 173.3 secs Computing kpt #: 237 total cpu time spent up to now is 173.9 secs Computing kpt #: 238 total cpu time spent up to now is 174.6 secs Computing kpt #: 239 total cpu time spent up to now is 175.3 secs Computing kpt #: 240 total cpu time spent up to now is 176.0 secs Computing kpt #: 241 total cpu time spent up to now is 176.7 secs Computing kpt #: 242 total cpu time spent up to now is 177.4 secs Computing kpt #: 243 total cpu time spent up to now is 178.2 secs Computing kpt #: 244 total cpu time spent up to now is 179.0 secs Computing kpt #: 245 total cpu time spent up to now is 179.9 secs Computing kpt #: 246 total cpu time spent up to now is 180.7 secs Computing kpt #: 247 total cpu time spent up to now is 181.7 secs Computing kpt #: 248 total cpu time spent up to now is 182.6 secs Computing kpt #: 249 total cpu time spent up to now is 183.6 secs Computing kpt #: 250 total cpu time spent up to now is 184.6 secs Computing kpt #: 251 total cpu time spent up to now is 185.7 secs Computing kpt #: 252 total cpu time spent up to now is 186.6 secs Computing kpt #: 253 total cpu time spent up to now is 187.5 secs Computing kpt #: 254 total cpu time spent up to now is 188.3 secs Computing kpt #: 255 total cpu time spent up to now is 189.1 secs Computing kpt #: 256 total cpu time spent up to now is 190.1 secs Computing kpt #: 257 total cpu time spent up to now is 190.9 secs Computing kpt #: 258 total cpu time spent up to now is 192.0 secs Computing kpt #: 259 total cpu time spent up to now is 193.0 secs Computing kpt #: 260 total cpu time spent up to now is 194.0 secs Computing kpt #: 261 total cpu time spent up to now is 194.9 secs Computing kpt #: 262 total cpu time spent up to now is 195.7 secs Computing kpt #: 263 total cpu time spent up to now is 196.6 secs Computing kpt #: 264 total cpu time spent up to now is 197.4 secs Computing kpt #: 265 total cpu time spent up to now is 198.3 secs Computing kpt #: 266 total cpu time spent up to now is 199.2 secs Computing kpt #: 267 total cpu time spent up to now is 200.2 secs Computing kpt #: 268 total cpu time spent up to now is 201.2 secs Computing kpt #: 269 total cpu time spent up to now is 202.2 secs Computing kpt #: 270 total cpu time spent up to now is 203.2 secs Computing kpt #: 271 total cpu time spent up to now is 204.3 secs Computing kpt #: 272 total cpu time spent up to now is 205.2 secs Computing kpt #: 273 total cpu time spent up to now is 206.2 secs Computing kpt #: 274 total cpu time spent up to now is 207.2 secs Computing kpt #: 275 total cpu time spent up to now is 208.3 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 209.8 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.3 secs Computing kpt #: 278 total cpu time spent up to now is 212.2 secs Computing kpt #: 279 total cpu time spent up to now is 213.1 secs Computing kpt #: 280 total cpu time spent up to now is 214.0 secs Computing kpt #: 281 total cpu time spent up to now is 214.9 secs Computing kpt #: 282 total cpu time spent up to now is 215.8 secs Computing kpt #: 283 total cpu time spent up to now is 216.7 secs Computing kpt #: 284 total cpu time spent up to now is 217.5 secs Computing kpt #: 285 total cpu time spent up to now is 218.4 secs Computing kpt #: 286 total cpu time spent up to now is 218.9 secs Computing kpt #: 287 total cpu time spent up to now is 219.5 secs Computing kpt #: 288 total cpu time spent up to now is 220.0 secs Computing kpt #: 289 total cpu time spent up to now is 220.6 secs Computing kpt #: 290 total cpu time spent up to now is 221.1 secs Computing kpt #: 291 total cpu time spent up to now is 221.6 secs Computing kpt #: 292 total cpu time spent up to now is 222.2 secs Computing kpt #: 293 total cpu time spent up to now is 222.8 secs Computing kpt #: 294 total cpu time spent up to now is 223.4 secs Computing kpt #: 295 total cpu time spent up to now is 224.0 secs Computing kpt #: 296 total cpu time spent up to now is 224.6 secs Computing kpt #: 297 total cpu time spent up to now is 225.2 secs Computing kpt #: 298 total cpu time spent up to now is 225.8 secs Computing kpt #: 299 total cpu time spent up to now is 226.4 secs Computing kpt #: 300 total cpu time spent up to now is 227.0 secs Computing kpt #: 301 total cpu time spent up to now is 227.7 secs Computing kpt #: 302 total cpu time spent up to now is 228.3 secs Computing kpt #: 303 total cpu time spent up to now is 229.0 secs Computing kpt #: 304 total cpu time spent up to now is 229.7 secs Computing kpt #: 305 total cpu time spent up to now is 230.5 secs Computing kpt #: 306 total cpu time spent up to now is 231.3 secs Computing kpt #: 307 total cpu time spent up to now is 232.2 secs Computing kpt #: 308 total cpu time spent up to now is 233.0 secs Computing kpt #: 309 total cpu time spent up to now is 233.8 secs Computing kpt #: 310 total cpu time spent up to now is 234.4 secs Computing kpt #: 311 total cpu time spent up to now is 235.0 secs Computing kpt #: 312 total cpu time spent up to now is 235.6 secs Computing kpt #: 313 total cpu time spent up to now is 236.1 secs Computing kpt #: 314 total cpu time spent up to now is 236.7 secs Computing kpt #: 315 total cpu time spent up to now is 237.2 secs Computing kpt #: 316 total cpu time spent up to now is 237.8 secs ethr = 2.78E-08, avg # of iterations = 36.2 total cpu time spent up to now is 237.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4463 PWs) bands (ev): 2.9967 2.9967 6.0762 6.0762 6.2739 6.2739 6.5515 6.5515 6.5907 6.5907 7.1851 7.1851 7.4670 7.4670 7.6059 7.6059 7.6187 7.6187 8.1311 8.1311 8.2430 8.2430 8.3472 8.3472 8.8448 8.8448 8.8551 8.8551 8.9073 8.9073 9.4780 9.4780 9.5076 9.5076 9.7400 9.7400 9.7837 9.7837 9.9527 9.9527 9.9627 9.9627 10.2833 10.2833 k = 0.0000 0.0000 0.0165 ( 4467 PWs) bands (ev): 2.9986 2.9986 6.0772 6.0772 6.2723 6.2723 6.5525 6.5525 6.5916 6.5916 7.1841 7.1841 7.4668 7.4668 7.6056 7.6056 7.6165 7.6165 8.1314 8.1314 8.2434 8.2434 8.3462 8.3462 8.8451 8.8451 8.8556 8.8556 8.9071 8.9071 9.4769 9.4769 9.5059 9.5059 9.7400 9.7400 9.7820 9.7820 9.9533 9.9533 9.9631 9.9631 10.2840 10.2840 k = 0.0000 0.0000 0.0329 ( 4467 PWs) bands (ev): 3.0043 3.0043 6.0801 6.0801 6.2678 6.2678 6.5554 6.5554 6.5942 6.5942 7.1809 7.1809 7.4662 7.4662 7.6045 7.6045 7.6103 7.6103 8.1321 8.1321 8.2444 8.2444 8.3433 8.3433 8.8444 8.8444 8.8583 8.8583 8.9066 8.9066 9.4734 9.4734 9.5013 9.5013 9.7402 9.7402 9.7771 9.7771 9.9549 9.9549 9.9642 9.9642 10.2861 10.2861 k = 0.0000 0.0000 0.0494 ( 4471 PWs) bands (ev): 3.0137 3.0137 6.0848 6.0848 6.2606 6.2606 6.5600 6.5600 6.5984 6.5984 7.1756 7.1756 7.4652 7.4652 7.5979 7.5979 7.6050 7.6050 8.1332 8.1332 8.2462 8.2462 8.3386 8.3386 8.8405 8.8405 8.8647 8.8647 8.9057 8.9057 9.4673 9.4673 9.4948 9.4948 9.7403 9.7403 9.7691 9.7691 9.9572 9.9572 9.9660 9.9660 10.2894 10.2894 k = 0.0000 0.0000 0.0658 ( 4467 PWs) bands (ev): 3.0269 3.0269 6.0915 6.0915 6.2510 6.2510 6.5662 6.5662 6.6040 6.6040 7.1683 7.1683 7.4639 7.4639 7.5835 7.5835 7.6032 7.6032 8.1346 8.1346 8.2486 8.2486 8.3321 8.3321 8.8332 8.8332 8.8742 8.8742 8.9045 8.9045 9.4577 9.4577 9.4884 9.4884 9.7404 9.7404 9.7585 9.7585 9.9600 9.9600 9.9686 9.9686 10.2934 10.2934 k = 0.0000 0.0000 0.0823 ( 4467 PWs) bands (ev): 3.0438 3.0438 6.1000 6.1000 6.2395 6.2395 6.5737 6.5737 6.6108 6.6108 7.1590 7.1590 7.4622 7.4622 7.5653 7.5653 7.6013 7.6013 8.1360 8.1360 8.2517 8.2517 8.3240 8.3240 8.8222 8.8222 8.8854 8.8854 8.9036 8.9036 9.4440 9.4440 9.4842 9.4842 9.7404 9.7404 9.7454 9.7454 9.9630 9.9630 9.9718 9.9718 10.2980 10.2980 k = 0.0000 0.0000 0.0988 ( 4451 PWs) bands (ev): 3.0644 3.0644 6.1102 6.1102 6.2266 6.2266 6.5823 6.5823 6.6188 6.6188 7.1478 7.1478 7.4603 7.4603 7.5438 7.5438 7.5993 7.5993 8.1372 8.1372 8.2553 8.2553 8.3145 8.3145 8.8072 8.8072 8.8943 8.8943 8.9062 8.9062 9.4269 9.4269 9.4829 9.4829 9.7302 9.7302 9.7403 9.7403 9.9662 9.9662 9.9755 9.9755 10.3025 10.3025 k = 0.0000 0.0000 0.1152 ( 4441 PWs) bands (ev): 3.0887 3.0887 6.1222 6.1222 6.2126 6.2126 6.5916 6.5916 6.6276 6.6276 7.1349 7.1349 7.4581 7.4581 7.5198 7.5198 7.5970 7.5970 8.1376 8.1376 8.2589 8.2589 8.3039 8.3039 8.7880 8.7880 8.8948 8.8948 8.9180 8.9180 9.4073 9.4073 9.4847 9.4847 9.7130 9.7130 9.7401 9.7401 9.9698 9.9698 9.9794 9.9794 10.3067 10.3067 k = 0.0000 0.0000 0.1317 ( 4437 PWs) bands (ev): 3.1166 3.1166 6.1357 6.1357 6.1980 6.1980 6.6013 6.6013 6.6373 6.6373 7.1202 7.1202 7.4552 7.4552 7.4940 7.4940 7.5946 7.5946 8.1370 8.1370 8.2614 8.2614 8.2935 8.2935 8.7649 8.7649 8.8924 8.8924 8.9328 8.9328 9.3862 9.3862 9.4893 9.4893 9.6939 9.6939 9.7402 9.7402 9.9738 9.9738 9.9831 9.9831 10.3102 10.3102 k = 0.0000 0.0000 0.1481 ( 4443 PWs) bands (ev): 3.1480 3.1480 6.1501 6.1501 6.1838 6.1838 6.6109 6.6109 6.6480 6.6480 7.1038 7.1038 7.4492 7.4492 7.4693 7.4693 7.5921 7.5921 8.1343 8.1343 8.2590 8.2590 8.2870 8.2870 8.7386 8.7386 8.8894 8.8894 8.9478 8.9478 9.3645 9.3645 9.4963 9.4963 9.6730 9.6730 9.7408 9.7408 9.9782 9.9782 9.9867 9.9867 10.3127 10.3127 k = 0.0000 0.0000 0.1646 ( 4447 PWs) bands (ev): 3.1828 3.1828 6.1585 6.1585 6.1768 6.1768 6.6200 6.6200 6.6599 6.6599 7.0859 7.0859 7.4293 7.4293 7.4572 7.4572 7.5895 7.5895 8.1285 8.1285 8.2491 8.2491 8.2876 8.2876 8.7103 8.7103 8.8860 8.8860 8.9621 8.9621 9.3428 9.3428 9.5047 9.5047 9.6505 9.6505 9.7427 9.7427 9.9832 9.9832 9.9900 9.9900 10.3141 10.3141 k = 0.0000 0.0000 0.1810 ( 4443 PWs) bands (ev): 3.2211 3.2211 6.1479 6.1479 6.1904 6.1904 6.6279 6.6279 6.6732 6.6732 7.0666 7.0666 7.4000 7.4000 7.4535 7.4535 7.5871 7.5871 8.1175 8.1175 8.2360 8.2360 8.2920 8.2920 8.6813 8.6813 8.8824 8.8824 8.9751 8.9751 9.3219 9.3219 9.5132 9.5132 9.6264 9.6264 9.7467 9.7467 9.9885 9.9885 9.9931 9.9931 10.3143 10.3143 k = 0.0000 0.0000 0.1975 ( 4439 PWs) bands (ev): 3.2626 3.2626 6.1332 6.1332 6.2096 6.2096 6.6344 6.6344 6.6878 6.6878 7.0458 7.0458 7.3687 7.3687 7.4512 7.4512 7.5847 7.5847 8.0990 8.0990 8.2240 8.2240 8.2975 8.2975 8.6531 8.6531 8.8788 8.8788 8.9859 8.9859 9.3024 9.3024 9.5202 9.5202 9.6007 9.6007 9.7538 9.7538 9.9933 9.9933 9.9970 9.9970 10.3133 10.3133 k = 0.0000 0.0000 0.2140 ( 4427 PWs) bands (ev): 3.3074 3.3074 6.1183 6.1183 6.2306 6.2306 6.6394 6.6394 6.7038 6.7038 7.0237 7.0237 7.3366 7.3366 7.4495 7.4495 7.5826 7.5826 8.0714 8.0714 8.2149 8.2149 8.3031 8.3031 8.6271 8.6271 8.8752 8.8752 8.9941 8.9941 9.2851 9.2851 9.5242 9.5242 9.5735 9.5735 9.7647 9.7647 9.9961 9.9961 10.0032 10.0032 10.3110 10.3110 k = 0.0000 0.0000 0.2304 ( 4427 PWs) bands (ev): 3.3553 3.3553 6.1036 6.1036 6.2530 6.2530 6.6426 6.6426 6.7209 6.7209 7.0002 7.0002 7.3043 7.3043 7.4482 7.4482 7.5808 7.5808 8.0350 8.0350 8.2089 8.2089 8.3085 8.3085 8.6041 8.6041 8.8718 8.8718 8.9990 8.9990 9.2705 9.2705 9.5240 9.5240 9.5454 9.5454 9.7800 9.7800 9.9979 9.9979 10.0106 10.0106 10.3074 10.3074 k = 0.0000 0.0000 0.2469 ( 4421 PWs) bands (ev): 3.4061 3.4061 6.0892 6.0892 6.2765 6.2765 6.6442 6.6442 6.7387 6.7387 6.9753 6.9753 7.2721 7.2721 7.4472 7.4472 7.5793 7.5793 7.9911 7.9911 8.2055 8.2055 8.3133 8.3133 8.5847 8.5847 8.8685 8.8685 9.0003 9.0003 9.2592 9.2592 9.5118 9.5118 9.5234 9.5234 9.7994 9.7994 9.9992 9.9992 10.0189 10.0189 10.3028 10.3028 k = 0.0000 0.0000 0.2633 ( 4417 PWs) bands (ev): 3.4597 3.4597 6.0754 6.0754 6.3009 6.3009 6.6440 6.6440 6.7573 6.7573 6.9490 6.9490 7.2402 7.2402 7.4465 7.4465 7.5782 7.5782 7.9415 7.9415 8.2037 8.2037 8.3173 8.3173 8.5690 8.5690 8.8654 8.8654 8.9979 8.9979 9.2511 9.2511 9.4819 9.4819 9.5139 9.5139 9.8224 9.8224 10.0003 10.0003 10.0279 10.0279 10.2971 10.2971 k = 0.0000 0.0000 0.2798 ( 4421 PWs) bands (ev): 3.5160 3.5160 6.0619 6.0619 6.3261 6.3261 6.6421 6.6421 6.7760 6.7760 6.9212 6.9212 7.2089 7.2089 7.4462 7.4462 7.5775 7.5775 7.8883 7.8883 8.2029 8.2029 8.3203 8.3203 8.5567 8.5567 8.8627 8.8627 8.9922 8.9922 9.2461 9.2461 9.4495 9.4495 9.5022 9.5022 9.8479 9.8479 10.0012 10.0012 10.0376 10.0376 10.2904 10.2904 k = 0.0000 0.0000 0.2963 ( 4417 PWs) bands (ev): 3.5748 3.5748 6.0489 6.0489 6.3518 6.3518 6.6384 6.6384 6.7947 6.7947 6.8919 6.8919 7.1784 7.1784 7.4462 7.4462 7.5774 7.5774 7.8331 7.8331 8.2027 8.2027 8.3224 8.3224 8.5474 8.5474 8.8602 8.8602 8.9837 8.9837 9.2437 9.2437 9.4159 9.4159 9.4879 9.4879 9.8749 9.8749 10.0021 10.0021 10.0478 10.0478 10.2827 10.2827 k = 0.0000 0.0000 0.3127 ( 4416 PWs) bands (ev): 3.6358 3.6358 6.0361 6.0361 6.3777 6.3777 6.6331 6.6331 6.8124 6.8124 6.8615 6.8615 7.1491 7.1491 7.4464 7.4464 7.5778 7.5778 7.7777 7.7777 8.2029 8.2029 8.3234 8.3234 8.5409 8.5409 8.8581 8.8581 8.9733 8.9733 9.2433 9.2433 9.3815 9.3815 9.4713 9.4713 9.9023 9.9023 10.0036 10.0036 10.0586 10.0586 10.2743 10.2743 k = 0.0000 0.0000 0.3292 ( 4414 PWs) bands (ev): 3.6989 3.6989 6.0234 6.0234 6.4037 6.4037 6.6261 6.6261 6.8181 6.8181 6.8407 6.8407 7.1210 7.1210 7.4471 7.4471 7.5787 7.5787 7.7235 7.7235 8.2034 8.2034 8.3233 8.3233 8.5365 8.5365 8.8562 8.8562 8.9615 8.9615 9.2441 9.2441 9.3465 9.3465 9.4532 9.4532 9.9286 9.9286 10.0063 10.0063 10.0698 10.0698 10.2652 10.2652 k = 0.0000 0.0000 0.3456 ( 4414 PWs) bands (ev): 3.7638 3.7638 6.0105 6.0105 6.4293 6.4293 6.6178 6.6178 6.7881 6.7881 6.8529 6.8529 7.0946 7.0946 7.4480 7.4480 7.5803 7.5803 7.6719 7.6719 8.2039 8.2039 8.3222 8.3222 8.5341 8.5341 8.8547 8.8547 8.9493 8.9493 9.2455 9.2455 9.3113 9.3113 9.4340 9.4340 9.9515 9.9515 10.0121 10.0121 10.0813 10.0813 10.2554 10.2554 k = 0.0000 0.0000 0.3621 ( 4414 PWs) bands (ev): 3.8301 3.8301 5.9972 5.9972 6.4541 6.4541 6.6085 6.6085 6.7515 6.7515 6.8688 6.8688 7.0701 7.0701 7.4492 7.4492 7.5822 7.5822 7.6240 7.6240 8.2044 8.2044 8.3202 8.3202 8.5333 8.5333 8.8533 8.8533 8.9369 8.9369 9.2467 9.2467 9.2765 9.2765 9.4142 9.4142 9.9677 9.9677 10.0240 10.0240 10.0929 10.0929 10.2451 10.2451 k = 0.0000 0.0000 0.3786 ( 4416 PWs) bands (ev): 3.8975 3.8975 5.9829 5.9829 6.4774 6.4774 6.5986 6.5986 6.7132 6.7132 6.8835 6.8835 7.0483 7.0483 7.4507 7.4507 7.5781 7.5781 7.5870 7.5870 8.2048 8.2048 8.3173 8.3173 8.5337 8.5337 8.8522 8.8522 8.9250 8.9250 9.2374 9.2374 9.2523 9.2523 9.3945 9.3945 9.9761 9.9761 10.0425 10.0425 10.1047 10.1047 10.2345 10.2345 k = 0.0000 0.0000 0.3950 ( 4416 PWs) bands (ev): 3.9656 3.9656 5.9673 5.9673 6.4975 6.4975 6.5897 6.5897 6.6742 6.6742 6.8957 6.8957 7.0299 7.0299 7.4524 7.4524 7.5407 7.5407 7.5886 7.5886 8.2051 8.2051 8.3138 8.3138 8.5351 8.5351 8.8511 8.8511 8.9138 8.9138 9.2049 9.2049 9.2513 9.2513 9.3755 9.3755 9.9796 9.9796 10.0643 10.0643 10.1162 10.1162 10.2237 10.2237 k = 0.0000 0.0000 0.4115 ( 4424 PWs) bands (ev): 4.0338 4.0338 5.9498 5.9498 6.5114 6.5114 6.5845 6.5845 6.6359 6.6359 6.9042 6.9042 7.0160 7.0160 7.4542 7.4542 7.5069 7.5069 7.5919 7.5919 8.2052 8.2052 8.3098 8.3098 8.5374 8.5374 8.8501 8.8501 8.9035 8.9035 9.1717 9.1717 9.2508 9.2508 9.3579 9.3579 9.9810 9.9810 10.0866 10.0866 10.1276 10.1276 10.2129 10.2129 k = 0.0000 0.0000 0.4279 ( 4422 PWs) bands (ev): 4.1015 4.1015 5.9299 5.9299 6.5143 6.5143 6.5869 6.5869 6.6006 6.6006 6.9077 6.9077 7.0081 7.0081 7.4557 7.4557 7.4785 7.4785 7.5956 7.5956 8.2050 8.2050 8.3054 8.3054 8.5402 8.5402 8.8491 8.8491 8.8943 8.8943 9.1398 9.1398 9.2488 9.2488 9.3426 9.3426 9.9813 9.9813 10.1078 10.1078 10.1384 10.1384 10.2027 10.2027 k = 0.0000 0.0000 0.4444 ( 4418 PWs) bands (ev): 4.1679 4.1679 5.9073 5.9073 6.5060 6.5060 6.5672 6.5672 6.5995 6.5995 6.9058 6.9058 7.0062 7.0062 7.4495 7.4495 7.4625 7.4625 7.5996 7.5996 8.2047 8.2047 8.3010 8.3010 8.5434 8.5434 8.8478 8.8478 8.8864 8.8864 9.1097 9.1097 9.2445 9.2445 9.3305 9.3305 9.9812 9.9812 10.1265 10.1265 10.1488 10.1488 10.1934 10.1934 k = 0.0000 0.0000 0.4608 ( 4418 PWs) bands (ev): 4.2322 4.2322 5.8820 5.8820 6.4910 6.4910 6.5408 6.5408 6.6138 6.6138 6.8999 6.8999 7.0089 7.0089 7.4309 7.4309 7.4630 7.4630 7.6035 7.6035 8.2042 8.2042 8.2966 8.2966 8.5469 8.5469 8.8464 8.8464 8.8799 8.8799 9.0818 9.0818 9.2378 9.2378 9.3219 9.3219 9.9808 9.9808 10.1410 10.1410 10.1589 10.1589 10.1866 10.1866 k = 0.0000 0.0000 0.4773 ( 4430 PWs) bands (ev): 4.2931 4.2931 5.8545 5.8545 6.4736 6.4736 6.5195 6.5195 6.6286 6.6286 6.8922 6.8922 7.0140 7.0140 7.4144 7.4144 7.4652 7.4652 7.6073 7.6073 8.2036 8.2036 8.2924 8.2924 8.5503 8.5503 8.8446 8.8446 8.8748 8.8748 9.0566 9.0566 9.2293 9.2293 9.3166 9.3166 9.9803 9.9803 10.1480 10.1480 10.1694 10.1694 10.1845 10.1845 k = 0.0000 0.0000 0.4938 ( 4444 PWs) bands (ev): 4.3493 4.3493 5.8259 5.8259 6.4573 6.4573 6.5021 6.5021 6.6423 6.6423 6.8842 6.8842 7.0200 7.0200 7.4009 7.4009 7.4674 7.4674 7.6109 7.6109 8.2027 8.2027 8.2886 8.2886 8.5536 8.5536 8.8427 8.8427 8.8710 8.8710 9.0344 9.0344 9.2200 9.2200 9.3137 9.3137 9.9798 9.9798 10.1474 10.1474 10.1784 10.1784 10.1893 10.1893 k = 0.0000 0.0000 0.5102 ( 4444 PWs) bands (ev): 4.3992 4.3992 5.7978 5.7978 6.4441 6.4441 6.4875 6.4875 6.6540 6.6540 6.8769 6.8769 7.0256 7.0256 7.3905 7.3905 7.4696 7.4696 7.6140 7.6140 8.2019 8.2019 8.2854 8.2854 8.5566 8.5566 8.8407 8.8407 8.8684 8.8684 9.0158 9.0158 9.2110 9.2110 9.3123 9.3123 9.9794 9.9794 10.1433 10.1433 10.1847 10.1847 10.1977 10.1977 k = 0.0000 0.0000 0.5267 ( 4454 PWs) bands (ev): 4.4409 4.4409 5.7723 5.7723 6.4346 6.4346 6.4754 6.4754 6.6635 6.6635 6.8709 6.8709 7.0304 7.0304 7.3827 7.3827 7.4713 7.4713 7.6166 7.6166 8.2012 8.2012 8.2828 8.2828 8.5591 8.5591 8.8389 8.8389 8.8666 8.8666 9.0009 9.0009 9.2032 9.2032 9.3118 9.3118 9.9790 9.9790 10.1388 10.1388 10.1895 10.1895 10.2056 10.2056 k = 0.0000 0.0000 0.5431 ( 4448 PWs) bands (ev): 4.4726 4.4726 5.7519 5.7519 6.4288 6.4288 6.4660 6.4660 6.6705 6.6705 6.8665 6.8665 7.0341 7.0341 7.3772 7.3772 7.4727 7.4727 7.6186 7.6186 8.2006 8.2006 8.2809 8.2809 8.5610 8.5610 8.8375 8.8375 8.8655 8.8655 8.9900 8.9900 9.1973 9.1973 9.3118 9.3118 9.9787 9.9787 10.1351 10.1351 10.1930 10.1930 10.2117 10.2117 k = 0.0000 0.0000 0.5596 ( 4440 PWs) bands (ev): 4.4924 4.4924 5.7386 5.7386 6.4259 6.4259 6.4599 6.4599 6.6747 6.6747 6.8638 6.8638 7.0363 7.0363 7.3740 7.3740 7.4736 7.4736 7.6198 7.6198 8.2003 8.2003 8.2798 8.2798 8.5621 8.5621 8.8366 8.8366 8.8649 8.8649 8.9834 8.9834 9.1936 9.1936 9.3118 9.3118 9.9786 9.9786 10.1327 10.1327 10.1951 10.1951 10.2154 10.2154 k = 0.0000 0.0000 0.5761 ( 4440 PWs) bands (ev): 4.4992 4.4992 5.7340 5.7340 6.4250 6.4250 6.4577 6.4577 6.6761 6.6761 6.8628 6.8628 7.0371 7.0371 7.3730 7.3730 7.4739 7.4739 7.6202 7.6202 8.2001 8.2001 8.2794 8.2794 8.5625 8.5625 8.8363 8.8363 8.8647 8.8647 8.9812 8.9812 9.1923 9.1923 9.3119 9.3119 9.9785 9.9785 10.1319 10.1319 10.1959 10.1959 10.2167 10.2167 k = 0.0000 0.0000 0.5761 ( 4440 PWs) bands (ev): 4.4992 4.4992 5.7340 5.7340 6.4250 6.4250 6.4577 6.4577 6.6761 6.6761 6.8628 6.8628 7.0371 7.0371 7.3730 7.3730 7.4739 7.4739 7.6202 7.6202 8.2001 8.2001 8.2794 8.2794 8.5625 8.5625 8.8363 8.8363 8.8647 8.8647 8.9812 8.9812 9.1923 9.1923 9.3119 9.3119 9.9785 9.9785 10.1319 10.1319 10.1959 10.1959 10.2167 10.2167 k =-0.0143 0.0082 0.5761 ( 4440 PWs) bands (ev): 4.5005 4.5005 5.7355 5.7355 6.4247 6.4247 6.4582 6.4582 6.6771 6.6771 6.8625 6.8625 7.0369 7.0369 7.3730 7.3730 7.4735 7.4735 7.6197 7.6197 8.2005 8.2005 8.2798 8.2798 8.5581 8.5581 8.8375 8.8375 8.8654 8.8654 8.9809 8.9809 9.1892 9.1892 9.3119 9.3119 9.9731 9.9731 10.1339 10.1339 10.2013 10.2013 10.2183 10.2183 k =-0.0286 0.0163 0.5761 ( 4448 PWs) bands (ev): 4.5043 4.5043 5.7399 5.7399 6.4237 6.4237 6.4596 6.4596 6.6800 6.6800 6.8613 6.8613 7.0363 7.0363 7.3729 7.3729 7.4724 7.4724 7.6183 7.6183 8.2016 8.2016 8.2810 8.2810 8.5449 8.5449 8.8411 8.8411 8.8674 8.8674 8.9801 8.9801 9.1798 9.1798 9.3125 9.3125 9.9584 9.9584 10.1398 10.1398 10.2158 10.2158 10.2233 10.2233 k =-0.0429 0.0245 0.5761 ( 4450 PWs) bands (ev): 4.5106 4.5106 5.7473 5.7473 6.4221 6.4221 6.4619 6.4619 6.6850 6.6850 6.8595 6.8595 7.0355 7.0355 7.3728 7.3728 7.4705 7.4705 7.6161 7.6161 8.2033 8.2033 8.2829 8.2829 8.5232 8.5232 8.8466 8.8466 8.8711 8.8711 8.9788 8.9788 9.1635 9.1635 9.3145 9.3145 9.9372 9.9372 10.1494 10.1494 10.2296 10.2296 10.2385 10.2385 k =-0.0571 0.0327 0.5761 ( 4450 PWs) bands (ev): 4.5195 4.5195 5.7577 5.7577 6.4199 6.4199 6.4652 6.4652 6.6919 6.6919 6.8569 6.8569 7.0342 7.0342 7.3726 7.3726 7.4680 7.4680 7.6130 7.6130 8.2057 8.2057 8.2855 8.2855 8.4935 8.4935 8.8532 8.8532 8.8772 8.8772 8.9771 8.9771 9.1402 9.1402 9.3187 9.3187 9.9118 9.9118 10.1625 10.1625 10.2392 10.2392 10.2638 10.2638 k =-0.0714 0.0409 0.5761 ( 4456 PWs) bands (ev): 4.5308 4.5308 5.7708 5.7708 6.4172 6.4172 6.4693 6.4693 6.7009 6.7009 6.8537 6.8537 7.0326 7.0326 7.3724 7.3724 7.4648 7.4648 7.6092 7.6092 8.2085 8.2085 8.2887 8.2887 8.4565 8.4565 8.8602 8.8602 8.8865 8.8865 8.9752 8.9752 9.1101 9.1101 9.3258 9.3258 9.8839 9.8839 10.1786 10.1786 10.2497 10.2497 10.2920 10.2920 k =-0.0857 0.0490 0.5761 ( 4450 PWs) bands (ev): 4.5446 4.5446 5.7868 5.7868 6.4141 6.4141 6.4743 6.4743 6.7118 6.7118 6.8499 6.8499 7.0306 7.0306 7.3722 7.3722 7.4610 7.4610 7.6046 7.6046 8.2118 8.2118 8.2923 8.2923 8.4129 8.4129 8.8671 8.8671 8.8992 8.8992 8.9730 8.9730 9.0736 9.0736 9.3361 9.3361 9.8544 9.8544 10.1973 10.1973 10.2604 10.2604 10.3216 10.3216 k =-0.1000 0.0572 0.5761 ( 4444 PWs) bands (ev): 4.5608 4.5608 5.8055 5.8055 6.4106 6.4106 6.4801 6.4801 6.7246 6.7246 6.8456 6.8456 7.0284 7.0284 7.3719 7.3719 7.4566 7.4566 7.5995 7.5995 8.2152 8.2152 8.2961 8.2961 8.3637 8.3637 8.8741 8.8741 8.9148 8.9148 8.9708 8.9708 9.0316 9.0316 9.3495 9.3495 9.8240 9.8240 10.2180 10.2180 10.2707 10.2707 10.3521 10.3521 k =-0.1143 0.0654 0.5761 ( 4452 PWs) bands (ev): 4.5793 4.5793 5.8268 5.8268 6.4069 6.4069 6.4865 6.4865 6.7394 6.7394 6.8408 6.8408 7.0258 7.0258 7.3717 7.3717 7.4516 7.4516 7.5938 7.5938 8.2187 8.2187 8.2978 8.2978 8.3120 8.3120 8.8813 8.8813 8.9327 8.9327 8.9685 8.9685 8.9853 8.9853 9.3661 9.3661 9.7930 9.7930 10.2401 10.2401 10.2802 10.2802 10.3831 10.3831 k =-0.1286 0.0736 0.5761 ( 4446 PWs) bands (ev): 4.6002 4.6002 5.8506 5.8506 6.4031 6.4031 6.4937 6.4937 6.7560 6.7560 6.8357 6.8357 7.0230 7.0230 7.3714 7.3714 7.4463 7.4463 7.5877 7.5877 8.2220 8.2220 8.2501 8.2501 8.3058 8.3058 8.8886 8.8886 8.9302 8.9302 8.9564 8.9564 8.9680 8.9680 9.3857 9.3857 9.7617 9.7617 10.2618 10.2618 10.2896 10.2896 10.4143 10.4143 k =-0.1429 0.0817 0.5761 ( 4442 PWs) bands (ev): 4.6234 4.6234 5.8767 5.8767 6.3994 6.3994 6.5015 6.5015 6.7743 6.7743 6.8306 6.8306 7.0199 7.0199 7.3712 7.3712 7.4406 7.4406 7.5811 7.5811 8.1884 8.1884 8.2255 8.2255 8.3096 8.3096 8.8726 8.8726 8.9011 8.9011 8.9662 8.9662 8.9777 8.9777 9.4082 9.4082 9.7302 9.7302 10.2768 10.2768 10.3046 10.3046 10.4454 10.4454 k =-0.1571 0.0899 0.5761 ( 4432 PWs) bands (ev): 4.6487 4.6487 5.9050 5.9050 6.3959 6.3959 6.5098 6.5098 6.7936 6.7936 6.8260 6.8260 7.0167 7.0167 7.3709 7.3709 7.4346 7.4346 7.5744 7.5744 8.1246 8.1246 8.2281 8.2281 8.3135 8.3135 8.8155 8.8155 8.9089 8.9089 8.9659 8.9659 9.0013 9.0013 9.4334 9.4334 9.6985 9.6985 10.2811 10.2811 10.3285 10.3285 10.4765 10.4765 k =-0.1714 0.0981 0.5761 ( 4428 PWs) bands (ev): 4.6762 4.6762 5.9352 5.9352 6.3928 6.3928 6.5185 6.5185 6.8090 6.8090 6.8271 6.8271 7.0133 7.0133 7.3707 7.3707 7.4282 7.4282 7.5673 7.5673 8.0588 8.0588 8.2302 8.2302 8.3170 8.3170 8.7542 8.7542 8.9188 8.9188 8.9664 8.9664 9.0265 9.0265 9.4611 9.4611 9.6668 9.6668 10.2790 10.2790 10.3566 10.3566 10.5073 10.5073 k =-0.1857 0.1063 0.5761 ( 4436 PWs) bands (ev): 4.7057 4.7057 5.9672 5.9672 6.3902 6.3902 6.5275 6.5275 6.8091 6.8091 6.8452 6.8452 7.0099 7.0099 7.3705 7.3705 7.4216 7.4216 7.5601 7.5601 7.9919 7.9919 8.2314 8.2314 8.3200 8.3200 8.6905 8.6905 8.9294 8.9294 8.9678 8.9678 9.0528 9.0528 9.4910 9.4910 9.6352 9.6352 10.2725 10.2725 10.3870 10.3870 10.5378 10.5378 k =-0.2000 0.1144 0.5761 ( 4444 PWs) bands (ev): 4.7371 4.7371 6.0005 6.0005 6.3884 6.3884 6.5366 6.5366 6.8045 6.8045 6.8696 6.8696 7.0066 7.0066 7.3703 7.3703 7.4149 7.4149 7.5528 7.5528 7.9244 7.9244 8.2317 8.2317 8.3224 8.3224 8.6251 8.6251 8.9407 8.9407 8.9703 8.9703 9.0798 9.0798 9.5225 9.5225 9.6041 9.6041 10.2622 10.2622 10.4189 10.4189 10.5679 10.5679 k =-0.2143 0.1226 0.5761 ( 4440 PWs) bands (ev): 4.7704 4.7704 6.0349 6.0349 6.3875 6.3875 6.5456 6.5456 6.7994 6.7994 6.8960 6.8960 7.0037 7.0037 7.3701 7.3701 7.4082 7.4082 7.5455 7.5455 7.8570 7.8570 8.2306 8.2306 8.3240 8.3240 8.5587 8.5587 8.9524 8.9524 8.9738 8.9738 9.1073 9.1073 9.5506 9.5506 9.5781 9.5781 10.2484 10.2484 10.4523 10.4523 10.5975 10.5975 k =-0.2286 0.1308 0.5761 ( 4430 PWs) bands (ev): 4.8053 4.8053 6.0699 6.0699 6.3878 6.3878 6.5544 6.5544 6.7945 6.7945 6.9235 6.9235 7.0018 7.0018 7.3698 7.3698 7.4016 7.4016 7.5383 7.5383 7.7901 7.7901 8.2279 8.2279 8.3248 8.3248 8.4923 8.4923 8.9644 8.9644 8.9784 8.9784 9.1350 9.1350 9.5355 9.5355 9.5966 9.5966 10.2317 10.2317 10.4869 10.4869 10.6266 10.6266 k =-0.2429 0.1390 0.5761 ( 4426 PWs) bands (ev): 4.8418 4.8418 6.1050 6.1050 6.3896 6.3896 6.5626 6.5626 6.7900 6.7900 6.9506 6.9506 7.0023 7.0023 7.3693 7.3693 7.3951 7.3951 7.5311 7.5311 7.7242 7.7242 8.2225 8.2225 8.3242 8.3242 8.4272 8.4272 8.9766 8.9766 8.9841 8.9841 9.1626 9.1626 9.5049 9.5049 9.6312 9.6312 10.2130 10.2130 10.5229 10.5229 10.6552 10.6552 k =-0.2571 0.1471 0.5761 ( 4420 PWs) bands (ev): 4.8797 4.8797 6.1397 6.1397 6.3931 6.3931 6.5702 6.5702 6.7861 6.7861 6.9721 6.9721 7.0103 7.0103 7.3686 7.3686 7.3889 7.3889 7.5240 7.5240 7.6600 7.6600 8.2124 8.2124 8.3208 8.3208 8.3677 8.3677 8.9888 8.9888 8.9910 8.9910 9.1898 9.1898 9.4734 9.4734 9.6665 9.6665 10.1934 10.1934 10.5601 10.5601 10.6832 10.6832 k =-0.2714 0.1553 0.5761 ( 4424 PWs) bands (ev): 4.9188 4.9188 6.1732 6.1732 6.3985 6.3985 6.5765 6.5765 6.7829 6.7829 6.9817 6.9817 7.0323 7.0323 7.3670 7.3670 7.3835 7.3835 7.5168 7.5168 7.5980 7.5980 8.1926 8.1926 8.3010 8.3010 8.3325 8.3325 8.9981 8.9981 9.0015 9.0015 9.2162 9.2162 9.4418 9.4418 9.7004 9.7004 10.1745 10.1745 10.5983 10.5983 10.7105 10.7105 k =-0.2857 0.1635 0.5761 ( 4426 PWs) bands (ev): 4.9589 4.9589 6.2050 6.2050 6.4060 6.4060 6.5815 6.5815 6.7806 6.7806 6.9852 6.9852 7.0625 7.0625 7.3641 7.3641 7.3794 7.3794 7.5085 7.5085 7.5401 7.5401 8.1556 8.1556 8.2698 8.2698 8.3249 8.3249 9.0064 9.0064 9.0135 9.0135 9.2416 9.2416 9.4104 9.4104 9.7307 9.7307 10.1589 10.1589 10.6376 10.6376 10.7373 10.7373 k =-0.3000 0.1717 0.5761 ( 4434 PWs) bands (ev): 4.9998 4.9998 6.2345 6.2345 6.4158 6.4158 6.5847 6.5847 6.7792 6.7792 6.9882 6.9882 7.0954 7.0954 7.3594 7.3594 7.3768 7.3768 7.4778 7.4778 7.5083 7.5083 8.1027 8.1027 8.2505 8.2505 8.3202 8.3202 9.0153 9.0153 9.0253 9.0253 9.2656 9.2656 9.3793 9.3793 9.7547 9.7547 10.1497 10.1497 10.6778 10.6778 10.7633 10.7633 k =-0.3143 0.1798 0.5761 ( 4430 PWs) bands (ev): 5.0412 5.0412 6.2611 6.2611 6.4276 6.4276 6.5858 6.5858 6.7788 6.7788 6.9923 6.9923 7.1294 7.1294 7.3525 7.3525 7.3751 7.3751 7.4284 7.4284 7.5006 7.5006 8.0428 8.0428 8.2385 8.2385 8.3153 8.3153 9.0245 9.0245 9.0367 9.0367 9.2877 9.2877 9.3488 9.3488 9.7696 9.7696 10.1501 10.1501 10.7185 10.7185 10.7887 10.7887 k =-0.3286 0.1880 0.5761 ( 4438 PWs) bands (ev): 5.0829 5.0829 6.2850 6.2850 6.4409 6.4409 6.5846 6.5846 6.7792 6.7792 6.9981 6.9981 7.1634 7.1634 7.3410 7.3410 7.3736 7.3736 7.3870 7.3870 7.4947 7.4947 7.9810 7.9810 8.2293 8.2293 8.3094 8.3094 9.0340 9.0340 9.0475 9.0475 9.3064 9.3064 9.3202 9.3202 9.7737 9.7737 10.1627 10.1627 10.7594 10.7594 10.8136 10.8136 k =-0.3429 0.1962 0.5761 ( 4430 PWs) bands (ev): 5.1244 5.1244 6.3064 6.3064 6.4549 6.4549 6.5811 6.5811 6.7799 6.7799 7.0061 7.0061 7.1958 7.1958 7.3180 7.3180 7.3625 7.3625 7.3730 7.3730 7.4894 7.4894 7.9197 7.9197 8.2214 8.2214 8.3027 8.3027 9.0435 9.0435 9.0577 9.0577 9.2890 9.2890 9.3258 9.3258 9.7678 9.7678 10.1874 10.1874 10.7994 10.7994 10.8386 10.8386 k =-0.3571 0.2043 0.5761 ( 4426 PWs) bands (ev): 5.1655 5.1655 6.3260 6.3260 6.4686 6.4686 6.5752 6.5752 6.7800 6.7800 7.0163 7.0163 7.2221 7.2221 7.2928 7.2928 7.3531 7.3531 7.3712 7.3712 7.4847 7.4847 7.8602 7.8602 8.2140 8.2140 8.2951 8.2951 9.0528 9.0528 9.0672 9.0672 9.2615 9.2615 9.3393 9.3393 9.7547 9.7547 10.2223 10.2223 10.8362 10.8362 10.8657 10.8657 k =-0.3714 0.2125 0.5761 ( 4428 PWs) bands (ev): 5.2056 5.2056 6.3444 6.3444 6.4809 6.4809 6.5673 6.5673 6.7785 6.7785 7.0290 7.0290 7.2271 7.2271 7.2897 7.2897 7.3490 7.3490 7.3691 7.3691 7.4804 7.4804 7.8033 7.8033 8.2070 8.2070 8.2866 8.2866 9.0618 9.0618 9.0759 9.0759 9.2353 9.2353 9.3492 9.3492 9.7379 9.7379 10.2646 10.2646 10.8657 10.8657 10.8982 10.8982 k =-0.3857 0.2207 0.5761 ( 4438 PWs) bands (ev): 5.2442 5.2442 6.3621 6.3621 6.4912 6.4912 6.5579 6.5579 6.7742 6.7742 7.0439 7.0439 7.2130 7.2130 7.3062 7.3062 7.3502 7.3502 7.3669 7.3669 7.4766 7.4766 7.7498 7.7498 8.2002 8.2002 8.2776 8.2776 9.0702 9.0702 9.0837 9.0837 9.2109 9.2109 9.3547 9.3547 9.7205 9.7205 10.3120 10.3120 10.8883 10.8883 10.9349 10.9349 k =-0.4000 0.2289 0.5761 ( 4430 PWs) bands (ev): 5.2808 5.2808 6.3796 6.3796 6.4990 6.4990 6.5479 6.5479 6.7663 6.7663 7.0612 7.0612 7.1993 7.1993 7.3173 7.3173 7.3549 7.3549 7.3715 7.3715 7.4733 7.4733 7.7005 7.7005 8.1936 8.1936 8.2681 8.2681 9.0779 9.0779 9.0907 9.0907 9.1886 9.1886 9.3557 9.3557 9.7049 9.7049 10.3624 10.3624 10.9071 10.9071 10.9718 10.9718 k =-0.4143 0.2370 0.5761 ( 4420 PWs) bands (ev): 5.3147 5.3147 6.3972 6.3972 6.5033 6.5033 6.5386 6.5386 6.7544 6.7544 7.0805 7.0805 7.1908 7.1908 7.3195 7.3195 7.3506 7.3506 7.3921 7.3921 7.4704 7.4704 7.6562 7.6562 8.1873 8.1873 8.2588 8.2588 9.0847 9.0847 9.0968 9.0968 9.1687 9.1687 9.3526 9.3526 9.6922 9.6922 10.4142 10.4142 10.9233 10.9233 11.0059 11.0059 k =-0.4286 0.2452 0.5761 ( 4412 PWs) bands (ev): 5.3453 5.3453 6.4145 6.4145 6.5030 6.5030 6.5322 6.5322 6.7394 6.7394 7.1016 7.1016 7.1873 7.1873 7.3184 7.3184 7.3420 7.3420 7.4163 7.4163 7.4680 7.4680 7.6178 7.6178 8.1813 8.1813 8.2499 8.2499 9.0904 9.0904 9.1020 9.1020 9.1517 9.1517 9.3464 9.3464 9.6829 9.6829 10.4658 10.4658 10.9371 10.9371 11.0282 11.0282 k =-0.4429 0.2534 0.5761 ( 4412 PWs) bands (ev): 5.3716 5.3716 6.4315 6.4315 6.4981 6.4981 6.5295 6.5295 6.7226 6.7226 7.1241 7.1241 7.1877 7.1877 7.3154 7.3154 7.3308 7.3308 7.4390 7.4390 7.4662 7.4662 7.5860 7.5860 8.1756 8.1756 8.2419 8.2419 9.0947 9.0947 9.1063 9.1063 9.1378 9.1378 9.3383 9.3383 9.6768 9.6768 10.5153 10.5153 10.9484 10.9484 11.0276 11.0276 k =-0.4571 0.2616 0.5761 ( 4412 PWs) bands (ev): 5.3932 5.3932 6.4469 6.4469 6.4920 6.4920 6.5285 6.5285 6.7058 6.7058 7.1473 7.1473 7.1903 7.1903 7.3069 7.3069 7.3218 7.3218 7.4577 7.4577 7.4653 7.4653 7.5614 7.5614 8.1706 8.1706 8.2354 8.2354 9.0972 9.0972 9.1097 9.1097 9.1276 9.1276 9.3299 9.3299 9.6731 9.6731 10.5604 10.5604 10.9571 10.9571 11.0236 11.0236 k =-0.4714 0.2697 0.5761 ( 4400 PWs) bands (ev): 5.4091 5.4091 6.4591 6.4591 6.4880 6.4880 6.5274 6.5274 6.6913 6.6913 7.1700 7.1700 7.1937 7.1937 7.2908 7.2908 7.3185 7.3185 7.4629 7.4629 7.4738 7.4738 7.5442 7.5442 8.1666 8.1666 8.2305 8.2305 9.0978 9.0978 9.1123 9.1123 9.1214 9.1214 9.3229 9.3229 9.6711 9.6711 10.5977 10.5977 10.9631 10.9631 11.0203 11.0203 k =-0.4857 0.2779 0.5761 ( 4400 PWs) bands (ev): 5.4189 5.4189 6.4650 6.4650 6.4885 6.4885 6.5258 6.5258 6.6812 6.6812 7.1876 7.1876 7.1989 7.1989 7.2735 7.2735 7.3173 7.3173 7.4626 7.4626 7.4829 7.4829 7.5340 7.5340 8.1640 8.1640 8.2275 8.2275 9.0972 9.0972 9.1141 9.1141 9.1183 9.1183 9.3181 9.3181 9.6701 9.6701 10.6231 10.6231 10.9665 10.9665 11.0181 11.0181 k =-0.5000 0.2861 0.5761 ( 4408 PWs) bands (ev): 5.4223 5.4223 6.4662 6.4662 6.4899 6.4899 6.5250 6.5250 6.6776 6.6776 7.1921 7.1921 7.2049 7.2049 7.2646 7.2646 7.3169 7.3169 7.4624 7.4624 7.4862 7.4862 7.5305 7.5305 8.1630 8.1630 8.2265 8.2265 9.0967 9.0967 9.1148 9.1148 9.1173 9.1173 9.3165 9.3165 9.6699 9.6699 10.6321 10.6321 10.9675 10.9675 11.0174 11.0174 k =-0.5000 0.2861 0.5761 ( 4408 PWs) bands (ev): 5.4223 5.4223 6.4662 6.4662 6.4899 6.4899 6.5250 6.5250 6.6776 6.6776 7.1921 7.1921 7.2049 7.2049 7.2646 7.2646 7.3169 7.3169 7.4624 7.4624 7.4862 7.4862 7.5305 7.5305 8.1630 8.1630 8.2265 8.2265 9.0967 9.0967 9.1148 9.1148 9.1173 9.1173 9.3165 9.3165 9.6699 9.6699 10.6321 10.6321 10.9675 10.9675 11.0174 11.0174 k =-0.4898 0.2802 0.5643 ( 4400 PWs) bands (ev): 5.4189 5.4189 6.4653 6.4653 6.4880 6.4880 6.5260 6.5260 6.6813 6.6813 7.1881 7.1881 7.1980 7.1980 7.2739 7.2739 7.3173 7.3173 7.4626 7.4626 7.4829 7.4829 7.5339 7.5339 8.1640 8.1640 8.2275 8.2275 9.0972 9.0972 9.1141 9.1141 9.1182 9.1182 9.3182 9.3182 9.6701 9.6701 10.6229 10.6229 10.9664 10.9664 11.0182 11.0182 k =-0.4796 0.2744 0.5525 ( 4400 PWs) bands (ev): 5.4087 5.4087 6.4622 6.4622 6.4834 6.4834 6.5288 6.5288 6.6917 6.6917 7.1776 7.1776 7.1834 7.1834 7.2937 7.2937 7.3192 7.3192 7.4631 7.4631 7.4734 7.4734 7.5434 7.5434 8.1667 8.1667 8.2306 8.2306 9.0985 9.0985 9.1124 9.1124 9.1206 9.1206 9.3233 9.3233 9.6709 9.6709 10.5972 10.5972 10.9630 10.9630 11.0203 11.0203 k =-0.4694 0.2686 0.5408 ( 4408 PWs) bands (ev): 5.3919 5.3919 6.4560 6.4560 6.4786 6.4786 6.5328 6.5328 6.7070 6.7070 7.1630 7.1630 7.1674 7.1674 7.3108 7.3108 7.3290 7.3290 7.4582 7.4582 7.4643 7.4643 7.5572 7.5572 8.1710 8.1710 8.2354 8.2354 9.1000 9.1000 9.1101 9.1101 9.1246 9.1246 9.3316 9.3316 9.6722 9.6722 10.5595 10.5595 10.9568 10.9568 11.0236 11.0236 k =-0.4592 0.2627 0.5290 ( 4416 PWs) bands (ev): 5.3687 5.3687 6.4473 6.4473 6.4743 6.4743 6.5382 6.5382 6.7252 6.7252 7.1425 7.1425 7.1566 7.1566 7.3158 7.3158 7.3537 7.3537 7.4387 7.4387 7.4656 7.4656 7.5738 7.5738 8.1766 8.1766 8.2420 8.2420 9.1008 9.1008 9.1076 9.1076 9.1308 9.1308 9.3429 9.3429 9.6742 9.6742 10.5144 10.5144 10.9478 10.9478 11.0276 11.0276 k =-0.4490 0.2569 0.5173 ( 4420 PWs) bands (ev): 5.3392 5.3392 6.4376 6.4376 6.4697 6.4697 6.5448 6.5448 6.7442 6.7442 7.1195 7.1195 7.1512 7.1512 7.3182 7.3182 7.3805 7.3805 7.4171 7.4171 7.4675 7.4675 7.5919 7.5919 8.1831 8.1831 8.2499 8.2499 9.0991 9.0991 9.1066 9.1066 9.1394 9.1394 9.3569 9.3569 9.6767 9.6767 10.4650 10.4650 10.9360 10.9360 11.0256 11.0257 k =-0.4388 0.2511 0.5055 ( 4424 PWs) bands (ev): 5.3037 5.3037 6.4281 6.4281 6.4641 6.4641 6.5526 6.5526 6.7622 6.7622 7.0959 7.0959 7.1520 7.1520 7.3206 7.3206 7.3791 7.3791 7.4217 7.4217 7.4701 7.4701 7.6107 7.6107 8.1903 8.1903 8.2588 8.2588 9.0947 9.0947 9.1074 9.1074 9.1502 9.1502 9.3732 9.3732 9.6800 9.6800 10.4135 10.4135 10.9215 10.9215 10.9950 10.9950 k =-0.4286 0.2452 0.4938 ( 4428 PWs) bands (ev): 5.2627 5.2627 6.4193 6.4193 6.4572 6.4572 6.5614 6.5614 6.7775 6.7775 7.0731 7.0731 7.1602 7.1602 7.3228 7.3228 7.3504 7.3504 7.4509 7.4509 7.4743 7.4743 7.6294 7.6294 8.1980 8.1980 8.2683 8.2683 9.0889 9.0889 9.1089 9.1089 9.1629 9.1629 9.3913 9.3913 9.6840 9.6840 10.3614 10.3614 10.9038 10.9038 10.9549 10.9549 k =-0.4184 0.2394 0.4820 ( 4426 PWs) bands (ev): 5.2163 5.2163 6.4118 6.4118 6.4488 6.4488 6.5709 6.5709 6.7892 6.7892 7.0522 7.0522 7.1764 7.1764 7.3134 7.3134 7.3295 7.3295 7.4707 7.4707 7.4912 7.4912 7.6478 7.6478 8.2060 8.2060 8.2780 8.2780 9.0821 9.0821 9.1111 9.1111 9.1774 9.1774 9.4107 9.4107 9.6888 9.6888 10.3097 10.3097 10.8799 10.8799 10.9145 10.9145 k =-0.4082 0.2335 0.4703 ( 4432 PWs) bands (ev): 5.1650 5.1650 6.4056 6.4056 6.4390 6.4390 6.5810 6.5810 6.7967 6.7967 7.0337 7.0337 7.1996 7.1996 7.2799 7.2799 7.3320 7.3320 7.4761 7.4761 7.5239 7.5239 7.6657 7.6657 8.2141 8.2141 8.2877 8.2877 9.0744 9.0744 9.1140 9.1140 9.1934 9.1934 9.4310 9.4310 9.6945 9.6945 10.2590 10.2590 10.8428 10.8428 10.8826 10.8826 k =-0.3980 0.2277 0.4585 ( 4428 PWs) bands (ev): 5.1091 5.1091 6.4004 6.4004 6.4279 6.4279 6.5915 6.5915 6.8006 6.8006 7.0182 7.0182 7.2185 7.2185 7.2550 7.2550 7.3368 7.3368 7.4799 7.4799 7.5591 7.5591 7.6830 7.6830 8.2223 8.2223 8.2971 8.2971 9.0660 9.0660 9.1178 9.1178 9.2106 9.2106 9.4515 9.4515 9.7010 9.7010 10.2099 10.2099 10.7948 10.7948 10.8580 10.8580 k =-0.3878 0.2219 0.4467 ( 4424 PWs) bands (ev): 5.0491 5.0491 6.3953 6.3953 6.4168 6.4168 6.6022 6.6022 6.8015 6.8015 7.0059 7.0059 7.1929 7.1929 7.2781 7.2781 7.3442 7.3442 7.4837 7.4837 7.5953 7.5953 7.6998 7.6998 8.2303 8.2303 8.3059 8.3059 9.0569 9.0569 9.1228 9.1228 9.2288 9.2288 9.4716 9.4716 9.7084 9.7084 10.1627 10.1627 10.7429 10.7429 10.8349 10.8349 k =-0.3776 0.2160 0.4350 ( 4426 PWs) bands (ev): 4.9853 4.9853 6.3874 6.3874 6.4086 6.4086 6.6131 6.6131 6.8004 6.8004 6.9967 6.9967 7.1539 7.1539 7.3118 7.3118 7.3596 7.3596 7.4876 7.4876 7.6322 7.6322 7.7163 7.7163 8.2379 8.2379 8.3142 8.3142 9.0472 9.0472 9.1291 9.1291 9.2478 9.2478 9.4908 9.4908 9.7165 9.7165 10.1179 10.1179 10.6897 10.6897 10.8117 10.8117 k =-0.3673 0.2102 0.4232 ( 4424 PWs) bands (ev): 4.9183 4.9183 6.3744 6.3744 6.4057 6.4057 6.6243 6.6243 6.7982 6.7982 6.9901 6.9901 7.1133 7.1133 7.3320 7.3320 7.3953 7.3953 7.4916 7.4916 7.6697 7.6697 7.7325 7.7325 8.2450 8.2450 8.3217 8.3217 9.0371 9.0371 9.1370 9.1370 9.2674 9.2674 9.5084 9.5084 9.7252 9.7252 10.0756 10.0756 10.6364 10.6364 10.7880 10.7880 k =-0.3571 0.2043 0.4115 ( 4426 PWs) bands (ev): 4.8484 4.8484 6.3584 6.3584 6.4065 6.4065 6.6356 6.6356 6.7956 6.7956 6.9853 6.9853 7.0729 7.0729 7.3416 7.3416 7.4458 7.4458 7.4960 7.4960 7.7076 7.7076 7.7491 7.7491 8.2515 8.2515 8.3285 8.3285 9.0265 9.0265 9.1466 9.1466 9.2873 9.2873 9.5238 9.5238 9.7345 9.7345 10.0364 10.0364 10.5838 10.5838 10.7638 10.7638 k =-0.3469 0.1985 0.3997 ( 4428 PWs) bands (ev): 4.7760 4.7760 6.3409 6.3409 6.4094 6.4094 6.6472 6.6472 6.7932 6.7932 6.9793 6.9793 7.0358 7.0358 7.3484 7.3484 7.4947 7.4947 7.5082 7.5082 7.7442 7.7442 7.7679 7.7679 8.2573 8.2573 8.3345 8.3345 9.0156 9.0156 9.1581 9.1581 9.3073 9.3073 9.5363 9.5363 9.7439 9.7439 10.0004 10.0004 10.5328 10.5328 10.7391 10.7391 k =-0.3367 0.1927 0.3880 ( 4426 PWs) bands (ev): 4.7017 4.7017 6.3228 6.3228 6.4139 6.4139 6.6591 6.6591 6.7913 6.7913 6.9626 6.9626 7.0114 7.0114 7.3543 7.3543 7.5023 7.5023 7.5650 7.5650 7.7718 7.7718 7.7972 7.7972 8.2624 8.2624 8.3398 8.3398 9.0045 9.0045 9.1716 9.1716 9.3274 9.3274 9.5452 9.5452 9.7532 9.7532 9.9682 9.9682 10.4839 10.4839 10.7140 10.7140 k =-0.3265 0.1868 0.3762 ( 4430 PWs) bands (ev): 4.6257 4.6257 6.3045 6.3045 6.4195 6.4195 6.6712 6.6712 6.7900 6.7900 6.9296 6.9296 7.0052 7.0052 7.3600 7.3600 7.5065 7.5065 7.6269 7.6269 7.7904 7.7904 7.8376 7.8376 8.2667 8.2667 8.3443 8.3443 8.9933 8.9933 9.1873 9.1873 9.3473 9.3473 9.5499 9.5499 9.7619 9.7619 9.9401 9.9401 10.4380 10.4380 10.6886 10.6886 k =-0.3163 0.1810 0.3644 ( 4438 PWs) bands (ev): 4.5486 4.5486 6.2864 6.2864 6.4262 6.4262 6.6836 6.6836 6.7891 6.7891 6.8914 6.8914 7.0068 7.0068 7.3654 7.3654 7.5104 7.5104 7.6895 7.6895 7.8074 7.8074 7.8828 7.8828 8.2701 8.2701 8.3479 8.3479 8.9821 8.9821 9.2051 9.2051 9.3670 9.3670 9.5498 9.5498 9.7696 9.7696 9.9162 9.9162 10.3958 10.3958 10.6628 10.6628 k =-0.3061 0.1752 0.3527 ( 4430 PWs) bands (ev): 4.4707 4.4707 6.2687 6.2687 6.4337 6.4337 6.6960 6.6960 6.7873 6.7873 6.8543 6.8543 7.0112 7.0112 7.3709 7.3709 7.5142 7.5142 7.7510 7.7510 7.8243 7.8243 7.9322 7.9322 8.2728 8.2728 8.3508 8.3508 8.9710 8.9710 9.2252 9.2252 9.3863 9.3863 9.5447 9.5447 9.7755 9.7755 9.8965 9.8965 10.3581 10.3581 10.6367 10.6367 k =-0.2959 0.1693 0.3409 ( 4430 PWs) bands (ev): 4.3924 4.3924 6.2516 6.2516 6.4417 6.4417 6.7080 6.7080 6.7783 6.7783 6.8261 6.8261 7.0172 7.0172 7.3763 7.3763 7.5178 7.5178 7.8098 7.8098 7.8421 7.8421 7.9864 7.9864 8.2747 8.2747 8.3529 8.3529 8.9601 8.9601 9.2474 9.2474 9.4052 9.4052 9.5347 9.5347 9.7792 9.7792 9.8806 9.8806 10.3256 10.3256 10.6103 10.6103 k =-0.2857 0.1635 0.3292 ( 4432 PWs) bands (ev): 4.3140 4.3140 6.2355 6.2355 6.4500 6.4500 6.7172 6.7172 6.7549 6.7549 6.8171 6.8171 7.0244 7.0244 7.3816 7.3816 7.5214 7.5214 7.8541 7.8541 7.8715 7.8715 8.0459 8.0459 8.2759 8.2759 8.3542 8.3542 8.9495 8.9495 9.2716 9.2716 9.4236 9.4236 9.5201 9.5201 9.7801 9.7801 9.8676 9.8676 10.2989 10.2989 10.5837 10.5837 k =-0.2755 0.1576 0.3174 ( 4432 PWs) bands (ev): 4.2359 4.2359 6.2203 6.2203 6.4585 6.4585 6.7052 6.7052 6.7435 6.7435 6.8192 6.8192 7.0326 7.0326 7.3868 7.3868 7.5249 7.5249 7.8743 7.8743 7.9222 7.9222 8.1107 8.1107 8.2764 8.2764 8.3549 8.3549 8.9393 8.9393 9.2978 9.2978 9.4414 9.4414 9.5019 9.5019 9.7777 9.7777 9.8567 9.8567 10.2786 10.2786 10.5567 10.5567 k =-0.2653 0.1518 0.3057 ( 4436 PWs) bands (ev): 4.1583 4.1583 6.2064 6.2064 6.4668 6.4668 6.6709 6.6709 6.7520 6.7520 6.8255 6.8255 7.0421 7.0421 7.3918 7.3918 7.5284 7.5284 7.8927 7.8927 7.9722 7.9722 8.1796 8.1796 8.2763 8.2763 8.3550 8.3550 8.9297 8.9297 9.3258 9.3258 9.4583 9.4583 9.4809 9.4809 9.7720 9.7720 9.8470 9.8470 10.2647 10.2647 10.5296 10.5296 k =-0.2551 0.1460 0.2939 ( 4426 PWs) bands (ev): 4.0817 4.0817 6.1937 6.1937 6.4747 6.4747 6.6340 6.6340 6.7627 6.7627 6.8340 6.8340 7.0529 7.0529 7.3968 7.3968 7.5318 7.5318 7.9113 7.9113 8.0205 8.0205 8.2509 8.2509 8.2764 8.2764 8.3549 8.3549 8.9207 8.9207 9.3553 9.3553 9.4554 9.4554 9.4769 9.4769 9.7630 9.7630 9.8378 9.8378 10.2567 10.2567 10.5022 10.5023 k =-0.2449 0.1401 0.2822 ( 4422 PWs) bands (ev): 4.0063 4.0063 6.1824 6.1824 6.4814 6.4814 6.5978 6.5978 6.7730 6.7730 6.8442 6.8442 7.0654 7.0654 7.4015 7.4015 7.5352 7.5352 7.9302 7.9302 8.0675 8.0675 8.2734 8.2734 8.3243 8.3243 8.3568 8.3568 8.9124 8.9124 9.3862 9.3862 9.4304 9.4304 9.4927 9.4927 9.7511 9.7511 9.8287 9.8287 10.2540 10.2540 10.4747 10.4747 k =-0.2347 0.1343 0.2704 ( 4422 PWs) bands (ev): 3.9322 3.9322 6.1725 6.1725 6.4856 6.4856 6.5644 6.5644 6.7818 6.7818 6.8559 6.8559 7.0798 7.0798 7.4061 7.4061 7.5387 7.5387 7.9494 7.9494 8.1138 8.1138 8.2719 8.2719 8.3491 8.3491 8.4060 8.4060 8.9049 8.9049 9.4036 9.4036 9.4184 9.4184 9.5085 9.5085 9.7373 9.7373 9.8192 9.8192 10.2554 10.2554 10.4471 10.4471 k =-0.2245 0.1284 0.2586 ( 4420 PWs) bands (ev): 3.8598 3.8598 6.1642 6.1642 6.4826 6.4826 6.5385 6.5385 6.7888 6.7888 6.8689 6.8689 7.0964 7.0964 7.4104 7.4104 7.5422 7.5422 7.9687 7.9687 8.1594 8.1594 8.2698 8.2698 8.3489 8.3489 8.4806 8.4806 8.8983 8.8983 9.3760 9.3760 9.4512 9.4512 9.5239 9.5239 9.7226 9.7226 9.8090 9.8090 10.2599 10.2599 10.4194 10.4194 k =-0.2143 0.1226 0.2469 ( 4412 PWs) bands (ev): 3.7894 3.7894 6.1575 6.1575 6.4649 6.4649 6.5280 6.5280 6.7933 6.7933 6.8834 6.8834 7.1153 7.1153 7.4146 7.4146 7.5457 7.5457 7.9881 7.9881 8.2042 8.2042 8.2675 8.2675 8.3481 8.3481 8.5556 8.5556 8.8927 8.8927 9.3475 9.3475 9.4847 9.4847 9.5389 9.5389 9.7080 9.7080 9.7979 9.7979 10.2663 10.2663 10.3917 10.3917 k =-0.2041 0.1168 0.2351 ( 4414 PWs) bands (ev): 3.7209 3.7209 6.1523 6.1523 6.4368 6.4368 6.5282 6.5282 6.7951 6.7951 6.8992 6.8992 7.1365 7.1365 7.4186 7.4186 7.5494 7.5494 8.0074 8.0074 8.2455 8.2455 8.2665 8.2665 8.3488 8.3488 8.6295 8.6295 8.8880 8.8880 9.3185 9.3185 9.5185 9.5185 9.5535 9.5535 9.6945 9.6945 9.7855 9.7855 10.2737 10.2737 10.3642 10.3642 k =-0.1939 0.1109 0.2234 ( 4422 PWs) bands (ev): 3.6548 3.6548 6.1487 6.1487 6.4061 6.4061 6.5318 6.5318 6.7943 6.7943 6.9163 6.9163 7.1600 7.1600 7.4224 7.4224 7.5530 7.5530 8.0265 8.0265 8.2593 8.2593 8.2866 8.2866 8.3554 8.3554 8.7013 8.7013 8.8844 8.8844 9.2892 9.2892 9.5523 9.5523 9.5678 9.5678 9.6831 9.6831 9.7719 9.7719 10.2809 10.2809 10.3371 10.3371 k =-0.1837 0.1051 0.2116 ( 4424 PWs) bands (ev): 3.5911 3.5911 6.1468 6.1468 6.3752 6.3752 6.5361 6.5361 6.7909 6.7909 6.9344 6.9344 7.1856 7.1856 7.4260 7.4260 7.5568 7.5568 8.0452 8.0452 8.2574 8.2574 8.3064 8.3064 8.3778 8.3778 8.7704 8.7704 8.8818 8.8818 9.2596 9.2596 9.5816 9.5816 9.5857 9.5857 9.6745 9.6745 9.7572 9.7572 10.2861 10.2861 10.3120 10.3120 k =-0.1735 0.0993 0.1999 ( 4424 PWs) bands (ev): 3.5301 3.5301 6.1464 6.1464 6.3452 6.3452 6.5405 6.5405 6.7851 6.7851 6.9532 6.9532 7.2130 7.2130 7.4295 7.4295 7.5606 7.5606 8.0632 8.0632 8.2551 8.2551 8.3111 8.3111 8.4154 8.4154 8.8357 8.8357 8.8808 8.8808 9.2298 9.2298 9.5954 9.5954 9.6174 9.6174 9.6699 9.6699 9.7416 9.7416 10.2765 10.2765 10.3011 10.3011 k =-0.1633 0.0934 0.1881 ( 4424 PWs) bands (ev): 3.4718 3.4718 6.1477 6.1477 6.3162 6.3162 6.5446 6.5446 6.7771 6.7771 6.9726 6.9726 7.2419 7.2419 7.4329 7.4329 7.5644 7.5644 8.0801 8.0801 8.2534 8.2534 8.3095 8.3095 8.4585 8.4585 8.8761 8.8761 8.9019 8.9019 9.2000 9.2000 9.6088 9.6088 9.6444 9.6444 9.6720 9.6720 9.7257 9.7257 10.2521 10.2521 10.3041 10.3041 k =-0.1531 0.0876 0.1763 ( 4424 PWs) bands (ev): 3.4164 3.4164 6.1505 6.1505 6.2886 6.2886 6.5484 6.5484 6.7671 6.7671 6.9923 6.9923 7.2720 7.2720 7.4363 7.4363 7.5684 7.5684 8.0957 8.0957 8.2525 8.2525 8.3056 8.3056 8.5028 8.5028 8.8778 8.8778 8.9586 8.9586 9.1703 9.1703 9.6220 9.6220 9.6582 9.6582 9.6847 9.6847 9.7143 9.7143 10.2263 10.2263 10.3077 10.3077 k =-0.1429 0.0817 0.1646 ( 4440 PWs) bands (ev): 3.3640 3.3640 6.1547 6.1547 6.2624 6.2624 6.5517 6.5517 6.7555 6.7555 7.0121 7.0121 7.3030 7.3030 7.4396 7.4396 7.5722 7.5722 8.1094 8.1094 8.2529 8.2529 8.3007 8.3007 8.5467 8.5467 8.8788 8.8788 9.0123 9.0123 9.1413 9.1413 9.6346 9.6346 9.6653 9.6653 9.6811 9.6811 9.7278 9.7278 10.2006 10.2006 10.3104 10.3104 k =-0.1327 0.0759 0.1528 ( 4440 PWs) bands (ev): 3.3148 3.3148 6.1603 6.1603 6.2379 6.2379 6.5547 6.5547 6.7425 6.7425 7.0317 7.0317 7.3346 7.3346 7.4428 7.4428 7.5761 7.5761 8.1209 8.1209 8.2552 8.2552 8.2952 8.2952 8.5891 8.5891 8.8802 8.8802 9.0597 9.0597 9.1154 9.1154 9.6451 9.6451 9.6663 9.6663 9.6737 9.6737 9.7543 9.7543 10.1754 10.1754 10.3119 10.3119 k =-0.1224 0.0701 0.1411 ( 4428 PWs) bands (ev): 3.2688 3.2688 6.1671 6.1671 6.2150 6.2150 6.5572 6.5572 6.7283 6.7283 7.0510 7.0510 7.3662 7.3662 7.4462 7.4462 7.5799 7.5799 8.1297 8.1297 8.2594 8.2594 8.2895 8.2895 8.6293 8.6293 8.8821 8.8821 9.0720 9.0720 9.1218 9.1218 9.6402 9.6402 9.6656 9.6656 9.6831 9.6831 9.7816 9.7816 10.1508 10.1508 10.3123 10.3123 k =-0.1122 0.0642 0.1293 ( 4427 PWs) bands (ev): 3.2262 3.2262 6.1741 6.1741 6.1949 6.1949 6.5594 6.5594 6.7131 6.7131 7.0697 7.0697 7.3974 7.3974 7.4498 7.4498 7.5835 7.5835 8.1358 8.1358 8.2653 8.2653 8.2840 8.2840 8.6667 8.6667 8.8843 8.8843 9.0478 9.0478 9.1628 9.1628 9.6228 9.6228 9.6767 9.6767 9.6935 9.6935 9.8079 9.8079 10.1269 10.1269 10.3118 10.3118 k =-0.1020 0.0584 0.1176 ( 4435 PWs) bands (ev): 3.1870 3.1870 6.1702 6.1702 6.1883 6.1883 6.5611 6.5611 6.6972 6.6972 7.0876 7.0876 7.4267 7.4267 7.4545 7.4545 7.5870 7.5870 8.1393 8.1393 8.2708 8.2708 8.2808 8.2808 8.7008 8.7008 8.8868 8.8868 9.0207 9.0207 9.2056 9.2056 9.6042 9.6042 9.6892 9.6892 9.7041 9.7041 9.8326 9.8326 10.1038 10.1038 10.3106 10.3106 k =-0.0918 0.0525 0.1058 ( 4435 PWs) bands (ev): 3.1513 3.1513 6.1539 6.1539 6.1969 6.1969 6.5624 6.5624 6.6809 6.6809 7.1046 7.1046 7.4472 7.4472 7.4671 7.4671 7.5904 7.5904 8.1409 8.1409 8.2693 8.2693 8.2861 8.2861 8.7312 8.7312 8.8894 8.8894 8.9941 8.9941 9.2474 9.2474 9.5859 9.5859 9.7018 9.7018 9.7140 9.7140 9.8555 9.8555 10.0816 10.0816 10.3088 10.3088 k =-0.0816 0.0467 0.0941 ( 4433 PWs) bands (ev): 3.1191 3.1191 6.1380 6.1380 6.2076 6.2076 6.5634 6.5634 6.6646 6.6646 7.1203 7.1203 7.4539 7.4539 7.4920 7.4920 7.5935 7.5935 8.1410 8.1410 8.2647 8.2647 8.2955 8.2955 8.7578 8.7578 8.8919 8.8919 8.9687 8.9687 9.2882 9.2882 9.5685 9.5685 9.7143 9.7143 9.7225 9.7225 9.8763 9.8763 10.0605 10.0605 10.3064 10.3064 k =-0.0714 0.0409 0.0823 ( 4441 PWs) bands (ev): 3.0907 3.0907 6.1237 6.1237 6.2188 6.2188 6.5638 6.5638 6.6487 6.6487 7.1347 7.1347 7.4573 7.4573 7.5181 7.5181 7.5963 7.5963 8.1400 8.1400 8.2600 8.2600 8.3055 8.3055 8.7806 8.7806 8.8941 8.8941 8.9450 8.9450 9.3276 9.3276 9.5523 9.5523 9.7264 9.7264 9.7295 9.7295 9.8950 9.8950 10.0404 10.0404 10.3036 10.3036 k =-0.0612 0.0350 0.0705 ( 4457 PWs) bands (ev): 3.0659 3.0659 6.1112 6.1112 6.2302 6.2302 6.5636 6.5636 6.6336 6.6336 7.1476 7.1476 7.4598 7.4598 7.5425 7.5425 7.5988 7.5988 8.1385 8.1385 8.2556 8.2556 8.3153 8.3153 8.7997 8.7997 8.8954 8.8954 8.9241 8.9241 9.3650 9.3650 9.5376 9.5376 9.7339 9.7339 9.7388 9.7388 9.9113 9.9113 10.0218 10.0218 10.3003 10.3003 k =-0.0510 0.0292 0.0588 ( 4461 PWs) bands (ev): 3.0448 3.0448 6.1006 6.1006 6.2414 6.2414 6.5627 6.5627 6.6200 6.6200 7.1588 7.1588 7.4620 7.4620 7.5643 7.5643 7.6011 7.6011 8.1367 8.1367 8.2518 8.2518 8.3243 8.3243 8.8152 8.8152 8.8926 8.8926 8.9094 8.9094 9.3994 9.3994 9.5250 9.5250 9.7373 9.7373 9.7501 9.7501 9.9253 9.9253 10.0047 10.0047 10.2967 10.2967 k =-0.0408 0.0234 0.0470 ( 4463 PWs) bands (ev): 3.0275 3.0275 6.0918 6.0918 6.2517 6.2517 6.5609 6.5609 6.6087 6.6087 7.1681 7.1681 7.4638 7.4638 7.5829 7.5829 7.6030 7.6030 8.1350 8.1350 8.2487 8.2487 8.3321 8.3321 8.8275 8.8275 8.8815 8.8815 8.9056 8.9056 9.4296 9.4296 9.5147 9.5147 9.7391 9.7391 9.7606 9.7606 9.9367 9.9367 9.9896 9.9896 10.2928 10.2928 k =-0.0306 0.0175 0.0353 ( 4475 PWs) bands (ev): 3.0141 3.0141 6.0850 6.0850 6.2607 6.2607 6.5581 6.5581 6.6001 6.6001 7.1754 7.1754 7.4652 7.4652 7.5975 7.5975 7.6050 7.6050 8.1334 8.1334 8.2462 8.2462 8.3385 8.3385 8.8365 8.8365 8.8694 8.8694 8.9059 8.9059 9.4537 9.4537 9.5076 9.5076 9.7399 9.7399 9.7698 9.7698 9.9454 9.9454 9.9770 9.9770 10.2892 10.2892 k =-0.0204 0.0117 0.0235 ( 4471 PWs) bands (ev): 3.0044 3.0044 6.0801 6.0801 6.2678 6.2678 6.5550 6.5550 6.5946 6.5946 7.1808 7.1808 7.4662 7.4662 7.6044 7.6044 7.6102 7.6102 8.1322 8.1322 8.2444 8.2444 8.3433 8.3433 8.8423 8.8423 8.8604 8.8604 8.9066 8.9066 9.4697 9.4697 9.5047 9.5047 9.7401 9.7401 9.7771 9.7771 9.9510 9.9510 9.9678 9.9678 10.2861 10.2861 k =-0.0102 0.0058 0.0118 ( 4467 PWs) bands (ev): 2.9986 2.9986 6.0772 6.0772 6.2723 6.2723 6.5525 6.5525 6.5916 6.5916 7.1840 7.1840 7.4668 7.4668 7.6056 7.6056 7.6164 7.6164 8.1314 8.1314 8.2434 8.2434 8.3462 8.3462 8.8446 8.8446 8.8560 8.8560 8.9071 8.9071 9.4766 9.4766 9.5062 9.5062 9.7400 9.7400 9.7820 9.7820 9.9529 9.9529 9.9634 9.9634 10.2840 10.2840 k = 0.0000 0.0000 0.0000 ( 4463 PWs) bands (ev): 2.9967 2.9967 6.0762 6.0762 6.2739 6.2739 6.5515 6.5515 6.5907 6.5907 7.1851 7.1851 7.4670 7.4670 7.6059 7.6059 7.6187 7.6187 8.1311 8.1311 8.2430 8.2430 8.3472 8.3472 8.8448 8.8448 8.8551 8.8551 8.9073 8.9073 9.4780 9.4780 9.5076 9.5076 9.7400 9.7400 9.7837 9.7837 9.9527 9.9527 9.9627 9.9627 10.2833 10.2833 k = 0.0000 0.0000 0.0000 ( 4463 PWs) bands (ev): 2.9967 2.9967 6.0762 6.0762 6.2739 6.2739 6.5515 6.5515 6.5907 6.5907 7.1851 7.1851 7.4670 7.4670 7.6059 7.6059 7.6187 7.6187 8.1311 8.1311 8.2430 8.2430 8.3472 8.3472 8.8448 8.8448 8.8551 8.8551 8.9073 8.9073 9.4780 9.4780 9.5076 9.5076 9.7400 9.7400 9.7837 9.7837 9.9527 9.9527 9.9627 9.9627 10.2833 10.2833 k = 0.0083 0.0145-0.0000 ( 4471 PWs) bands (ev): 2.9987 2.9987 6.0769 6.0769 6.2753 6.2753 6.5521 6.5521 6.5913 6.5913 7.1828 7.1828 7.4674 7.4674 7.5933 7.5933 7.6312 7.6312 8.1302 8.1302 8.2419 8.2419 8.3474 8.3474 8.8452 8.8452 8.8559 8.8559 8.9050 8.9050 9.4705 9.4705 9.4986 9.4986 9.7448 9.7448 9.7644 9.7644 9.9611 9.9611 9.9689 9.9689 10.3003 10.3003 k = 0.0165 0.0289-0.0000 ( 4467 PWs) bands (ev): 3.0045 3.0045 6.0790 6.0790 6.2795 6.2795 6.5537 6.5537 6.5929 6.5929 7.1759 7.1759 7.4682 7.4682 7.5764 7.5764 7.6482 7.6482 8.1273 8.1273 8.2384 8.2384 8.3481 8.3481 8.8465 8.8465 8.8580 8.8580 8.8984 8.8984 9.4490 9.4490 9.4734 9.4734 9.7140 9.7140 9.7590 9.7590 9.9829 9.9829 9.9865 9.9865 10.3457 10.3457 k = 0.0248 0.0434-0.0000 ( 4451 PWs) bands (ev): 3.0143 3.0143 6.0824 6.0824 6.2864 6.2864 6.5564 6.5564 6.5957 6.5957 7.1648 7.1648 7.4687 7.4687 7.5602 7.5602 7.6651 7.6651 8.1225 8.1225 8.2327 8.2327 8.3494 8.3494 8.8482 8.8482 8.8616 8.8616 8.8883 8.8883 9.4167 9.4167 9.4358 9.4358 9.6446 9.6446 9.7818 9.7818 10.0111 10.0111 10.0152 10.0152 10.4086 10.4086 k = 0.0331 0.0578-0.0000 ( 4451 PWs) bands (ev): 3.0280 3.0280 6.0872 6.0872 6.2961 6.2961 6.5601 6.5601 6.5995 6.5995 7.1501 7.1501 7.4673 7.4673 7.5462 7.5462 7.6816 7.6816 8.1157 8.1157 8.2248 8.2248 8.3511 8.3511 8.8492 8.8492 8.8663 8.8663 8.8763 8.8763 9.3768 9.3768 9.3896 9.3896 9.5641 9.5641 9.8122 9.8122 10.0428 10.0428 10.0514 10.0514 10.4809 10.4809 k = 0.0414 0.0723-0.0000 ( 4451 PWs) bands (ev): 3.0455 3.0455 6.0933 6.0933 6.3085 6.3085 6.5648 6.5648 6.6043 6.6043 7.1321 7.1321 7.4621 7.4621 7.5360 7.5360 7.6973 7.6973 8.1070 8.1070 8.2147 8.2147 8.3534 8.3534 8.8451 8.8451 8.8669 8.8669 8.8723 8.8723 9.3321 9.3321 9.3377 9.3377 9.4774 9.4774 9.8491 9.8491 10.0775 10.0775 10.0905 10.0905 10.5579 10.5579 k = 0.0496 0.0868-0.0000 ( 4459 PWs) bands (ev): 3.0669 3.0669 6.1007 6.1007 6.3236 6.3236 6.5705 6.5705 6.6101 6.6101 7.1115 7.1115 7.4519 7.4519 7.5306 7.5306 7.7124 7.7124 8.0964 8.0964 8.2025 8.2025 8.3564 8.3564 8.8315 8.8315 8.8655 8.8655 8.8786 8.8786 9.2822 9.2822 9.2851 9.2851 9.3873 9.3873 9.8918 9.8918 10.1139 10.1139 10.1307 10.1307 10.6371 10.6371 k = 0.0579 0.1012-0.0000 ( 4451 PWs) bands (ev): 3.0921 3.0921 6.1094 6.1094 6.3413 6.3413 6.5772 6.5772 6.6169 6.6169 7.0889 7.0889 7.4375 7.4375 7.5290 7.5290 7.7266 7.7266 8.0838 8.0838 8.1884 8.1884 8.3599 8.3599 8.8136 8.8136 8.8663 8.8663 8.8849 8.8849 9.2240 9.2240 9.2379 9.2379 9.2962 9.2962 9.9394 9.9394 10.1507 10.1507 10.1707 10.1707 10.7170 10.7170 k = 0.0662 0.1157-0.0000 ( 4451 PWs) bands (ev): 3.1211 3.1211 6.1192 6.1192 6.3616 6.3616 6.5848 6.5848 6.6246 6.6246 7.0644 7.0644 7.4202 7.4202 7.5295 7.5295 7.7400 7.7400 8.0694 8.0694 8.1724 8.1724 8.3641 8.3641 8.7944 8.7944 8.8654 8.8654 8.8899 8.8899 9.1609 9.1609 9.1928 9.1928 9.2096 9.2096 9.9910 9.9910 10.1871 10.1871 10.2098 10.2098 10.7969 10.7969 k = 0.0745 0.1301-0.0000 ( 4451 PWs) bands (ev): 3.1538 3.1538 6.1301 6.1301 6.3845 6.3845 6.5933 6.5933 6.6333 6.6333 7.0387 7.0387 7.4014 7.4014 7.5308 7.5308 7.7526 7.7526 8.0532 8.0532 8.1545 8.1545 8.3688 8.3688 8.7749 8.7749 8.8602 8.8602 8.8909 8.8909 9.0828 9.0828 9.1415 9.1415 9.1530 9.1530 10.0459 10.0459 10.2226 10.2226 10.2477 10.2477 10.8761 10.8761 k = 0.0827 0.1446-0.0000 ( 4439 PWs) bands (ev): 3.1903 3.1903 6.1421 6.1421 6.4098 6.4098 6.6026 6.6026 6.6428 6.6428 7.0119 7.0119 7.3817 7.3817 7.5321 7.5321 7.7642 7.7642 8.0353 8.0353 8.1351 8.1351 8.3741 8.3741 8.7557 8.7557 8.8476 8.8476 8.8834 8.8834 8.9915 8.9915 9.0956 9.0956 9.1216 9.1216 10.1036 10.1036 10.2570 10.2570 10.2838 10.2838 10.9544 10.9544 k = 0.0910 0.1591-0.0000 ( 4431 PWs) bands (ev): 3.2304 3.2304 6.1551 6.1551 6.4375 6.4375 6.6128 6.6128 6.6531 6.6531 6.9845 6.9845 7.3616 7.3616 7.5327 7.5327 7.7748 7.7748 8.0157 8.0157 8.1142 8.1142 8.3797 8.3797 8.7370 8.7370 8.8255 8.8255 8.8613 8.8613 8.8968 8.8968 9.0690 9.0690 9.1016 9.1016 10.1635 10.1635 10.2899 10.2899 10.3181 10.3181 11.0314 11.0314 k = 0.0993 0.1735-0.0000 ( 4431 PWs) bands (ev): 3.2742 3.2742 6.1688 6.1688 6.4675 6.4675 6.6236 6.6236 6.6640 6.6640 6.9567 6.9567 7.3413 7.3413 7.5326 7.5326 7.7843 7.7843 7.9947 7.9947 8.0919 8.0919 8.3857 8.3857 8.7186 8.7186 8.7939 8.7939 8.7984 8.7984 8.8266 8.8266 9.0607 9.0607 9.0933 9.0933 10.2250 10.2250 10.3213 10.3213 10.3504 10.3504 11.1068 11.1068 k = 0.1076 0.1880-0.0000 ( 4431 PWs) bands (ev): 3.3215 3.3215 6.1833 6.1833 6.4997 6.4997 6.6350 6.6350 6.6755 6.6755 6.9289 6.9289 7.3211 7.3211 7.5314 7.5314 7.7928 7.7928 7.9723 7.9723 8.0685 8.0685 8.3919 8.3919 8.6995 8.6995 8.7029 8.7029 8.7563 8.7563 8.7782 8.7782 9.0657 9.0657 9.0950 9.0950 10.2874 10.2874 10.3513 10.3513 10.3806 10.3806 11.1294 11.1294 k = 0.1158 0.2024-0.0000 ( 4431 PWs) bands (ev): 3.3722 3.3722 6.1984 6.1984 6.5339 6.5339 6.6470 6.6470 6.6875 6.6875 6.9012 6.9012 7.3010 7.3010 7.5291 7.5291 7.8002 7.8002 7.9487 7.9487 8.0442 8.0442 8.3980 8.3980 8.6075 8.6075 8.6753 8.6753 8.7197 8.7197 8.7248 8.7248 9.0789 9.0789 9.1041 9.1041 10.3487 10.3487 10.3814 10.3814 10.4087 10.4087 11.0880 11.0880 k = 0.1241 0.2169-0.0000 ( 4439 PWs) bands (ev): 3.4264 3.4264 6.2139 6.2139 6.5702 6.5702 6.6594 6.6594 6.6998 6.6998 6.8739 6.8739 7.2813 7.2813 7.5256 7.5256 7.8062 7.8062 7.9240 7.9240 8.0193 8.0193 8.4035 8.4035 8.5135 8.5135 8.6385 8.6385 8.6689 8.6689 8.6942 8.6942 9.0972 9.0972 9.1187 9.1187 10.3957 10.3957 10.4245 10.4245 10.4345 10.4345 11.0457 11.0457 k = 0.1324 0.2314-0.0000 ( 4431 PWs) bands (ev): 3.4840 3.4840 6.2297 6.2297 6.6081 6.6081 6.6723 6.6723 6.7120 6.7120 6.8474 6.8474 7.2620 7.2620 7.5209 7.5209 7.8108 7.8108 7.8986 7.8986 7.9942 7.9942 8.3991 8.3991 8.4305 8.4305 8.5921 8.5921 8.6122 8.6122 8.6783 8.6783 9.1190 9.1190 9.1372 9.1372 10.4230 10.4230 10.4580 10.4580 10.4854 10.4854 11.0034 11.0034 k = 0.1407 0.2458-0.0000 ( 4423 PWs) bands (ev): 3.5448 3.5448 6.2456 6.2456 6.6474 6.6474 6.6857 6.6857 6.7241 6.7241 6.8220 6.8220 7.2431 7.2431 7.5150 7.5150 7.8137 7.8137 7.8723 7.8723 7.9693 7.9693 8.3229 8.3229 8.4206 8.4206 8.5423 8.5423 8.5558 8.5558 8.6668 8.6668 9.1434 9.1434 9.1587 9.1587 10.4455 10.4455 10.4793 10.4793 10.5487 10.5487 10.9616 10.9616 k = 0.1489 0.2603-0.0000 ( 4427 PWs) bands (ev): 3.6088 3.6088 6.2614 6.2614 6.6855 6.6855 6.7020 6.7020 6.7348 6.7348 6.7987 6.7987 7.2248 7.2248 7.5078 7.5078 7.8142 7.8142 7.8456 7.8456 7.9455 7.9455 8.2338 8.2338 8.4249 8.4249 8.4917 8.4917 8.5001 8.5001 8.6579 8.6579 9.1699 9.1699 9.1826 9.1826 10.4654 10.4654 10.4983 10.4983 10.6118 10.6118 10.9210 10.9210 k = 0.1572 0.2747-0.0000 ( 4419 PWs) bands (ev): 3.6758 3.6758 6.2767 6.2767 6.7073 6.7073 6.7358 6.7358 6.7407 6.7407 6.7810 6.7810 7.2072 7.2072 7.4997 7.4997 7.8118 7.8118 7.8185 7.8185 7.9237 7.9237 8.1463 8.1463 8.4279 8.4279 8.4412 8.4412 8.4471 8.4471 8.6511 8.6511 9.1981 9.1981 9.2085 9.2085 10.4833 10.4833 10.5150 10.5150 10.6736 10.6736 10.8818 10.8818 k = 0.1655 0.2892-0.0000 ( 4419 PWs) bands (ev): 3.7459 3.7459 6.2913 6.2913 6.7207 6.7207 6.7334 6.7334 6.7773 6.7773 6.7789 6.7789 7.1902 7.1902 7.4903 7.4903 7.7913 7.7913 7.8052 7.8052 7.9053 7.9053 8.0613 8.0613 8.3901 8.3901 8.3918 8.3918 8.4354 8.4354 8.6460 8.6460 9.2277 9.2277 9.2359 9.2359 10.4993 10.4993 10.5296 10.5296 10.7333 10.7333 10.8446 10.8446 k = 0.1737 0.3037-0.0000 ( 4431 PWs) bands (ev): 3.8188 3.8188 6.3048 6.3048 6.7161 6.7161 6.7327 6.7327 6.7842 6.7842 6.8238 6.8238 7.1740 7.1740 7.4800 7.4800 7.7639 7.7639 7.7938 7.7938 7.8912 7.8912 7.9795 7.9795 8.3389 8.3389 8.3429 8.3429 8.4385 8.4385 8.6426 8.6426 9.2585 9.2585 9.2646 9.2646 10.5134 10.5134 10.5420 10.5420 10.7900 10.7900 10.8098 10.8098 k = 0.1820 0.3181-0.0000 ( 4419 PWs) bands (ev): 3.8945 3.8945 6.3170 6.3170 6.6969 6.6969 6.7438 6.7438 6.7934 6.7934 6.8699 6.8699 7.1585 7.1585 7.4688 7.4688 7.7365 7.7365 7.7782 7.7782 7.8813 7.8813 7.9017 7.9017 8.2888 8.2888 8.2954 8.2954 8.4410 8.4410 8.6408 8.6408 9.2900 9.2900 9.2943 9.2943 10.5261 10.5261 10.5523 10.5523 10.7778 10.7778 10.8424 10.8424 k = 0.1903 0.3326-0.0000 ( 4435 PWs) bands (ev): 3.9728 3.9728 6.3272 6.3272 6.6782 6.6782 6.7537 6.7537 6.8025 6.8025 6.9166 6.9166 7.1439 7.1439 7.4568 7.4568 7.7084 7.7084 7.7596 7.7596 7.8293 7.8293 7.8745 7.8745 8.2405 8.2405 8.2495 8.2495 8.4427 8.4427 8.6405 8.6405 9.3218 9.3218 9.3247 9.3247 10.5374 10.5374 10.5608 10.5608 10.7490 10.7490 10.8889 10.8889 k = 0.1986 0.3470-0.0000 ( 4435 PWs) bands (ev): 4.0537 4.0537 6.3351 6.3351 6.6605 6.6605 6.7623 6.7623 6.8107 6.8107 6.9638 6.9638 7.1302 7.1302 7.4441 7.4441 7.6775 7.6775 7.7398 7.7398 7.7652 7.7652 7.8695 7.8695 8.1940 8.1940 8.2052 8.2052 8.4434 8.4434 8.6416 8.6416 9.3532 9.3532 9.3560 9.3560 10.5476 10.5476 10.5676 10.5676 10.7237 10.7237 10.9276 10.9276 k = 0.2068 0.3615-0.0000 ( 4419 PWs) bands (ev): 4.1369 4.1369 6.3401 6.3401 6.6441 6.6441 6.7695 6.7695 6.8175 6.8175 7.0111 7.0111 7.1174 7.1174 7.4309 7.4309 7.6397 7.6397 7.7144 7.7144 7.7200 7.7200 7.8652 7.8652 8.1497 8.1497 8.1629 8.1629 8.4430 8.4430 8.6442 8.6442 9.3836 9.3836 9.3879 9.3879 10.5573 10.5573 10.5729 10.5729 10.7022 10.7022 10.9566 10.9566 k = 0.2151 0.3760-0.0000 ( 4419 PWs) bands (ev): 4.2224 4.2224 6.3417 6.3417 6.6290 6.6290 6.7749 6.7749 6.8225 6.8225 7.0583 7.0583 7.1056 7.1056 7.4173 7.4173 7.5933 7.5933 7.6793 7.6793 7.7008 7.7008 7.8610 7.8610 8.1075 8.1075 8.1225 8.1225 8.4417 8.4417 8.6481 8.6481 9.4130 9.4130 9.4194 9.4194 10.5667 10.5667 10.5769 10.5769 10.6848 10.6848 10.9752 10.9752 k = 0.2234 0.3904-0.0000 ( 4431 PWs) bands (ev): 4.3099 4.3099 6.3393 6.3393 6.6154 6.6154 6.7783 6.7783 6.8256 6.8256 7.0947 7.0947 7.1050 7.1050 7.4034 7.4034 7.5441 7.5441 7.6547 7.6547 7.6828 7.6828 7.8566 7.8566 8.0677 8.0677 8.0845 8.0845 8.4395 8.4395 8.6533 8.6533 9.4410 9.4410 9.4497 9.4497 10.5765 10.5765 10.5801 10.5801 10.6716 10.6716 10.9838 10.9838 k = 0.2317 0.4049-0.0000 ( 4423 PWs) bands (ev): 4.3993 4.3993 6.3325 6.3325 6.6033 6.6033 6.7797 6.7797 6.8264 6.8264 7.0848 7.0848 7.1509 7.1509 7.3894 7.3894 7.4976 7.4976 7.6358 7.6358 7.6663 7.6663 7.8517 7.8517 8.0304 8.0304 8.0491 8.0491 8.4367 8.4367 8.6599 8.6599 9.4672 9.4672 9.4782 9.4782 10.5822 10.5822 10.5876 10.5876 10.6630 10.6630 10.9843 10.9843 k = 0.2399 0.4194-0.0000 ( 4415 PWs) bands (ev): 4.4905 4.4905 6.3209 6.3209 6.5926 6.5926 6.7789 6.7789 6.8250 6.8250 7.0759 7.0759 7.1956 7.1956 7.3755 7.3755 7.4562 7.4562 7.6206 7.6206 7.6512 7.6512 7.8462 7.8462 7.9960 7.9960 8.0167 8.0167 8.4336 8.4336 8.6676 8.6676 9.4909 9.4909 9.5043 9.5043 10.5839 10.5839 10.6001 10.6001 10.6593 10.6593 10.9787 10.9787 k = 0.2482 0.4338-0.0000 ( 4431 PWs) bands (ev): 4.5832 4.5832 6.3043 6.3043 6.5833 6.5833 6.7758 6.7758 6.8212 6.8212 7.0680 7.0680 7.2385 7.2385 7.3618 7.3618 7.4210 7.4210 7.6080 7.6080 7.6371 7.6371 7.8397 7.8397 7.9648 7.9648 7.9877 7.9877 8.4303 8.4303 8.6766 8.6766 9.5115 9.5115 9.5273 9.5273 10.5847 10.5847 10.6150 10.6150 10.6606 10.6606 10.9687 10.9687 k = 0.2565 0.4483-0.0000 ( 4447 PWs) bands (ev): 4.6773 4.6773 6.2827 6.2827 6.5753 6.5753 6.7706 6.7706 6.8151 6.8151 7.0612 7.0612 7.2788 7.2788 7.3485 7.3485 7.3924 7.3924 7.5975 7.5975 7.6237 7.6237 7.8323 7.8323 7.9371 7.9371 7.9629 7.9629 8.4275 8.4275 8.6868 8.6868 9.5283 9.5283 9.5463 9.5463 10.5841 10.5841 10.6330 10.6330 10.6673 10.6673 10.9559 10.9559 k = 0.2648 0.4627-0.0000 ( 4443 PWs) bands (ev): 4.7725 4.7725 6.2562 6.2562 6.5686 6.5686 6.7632 6.7632 6.8069 6.8069 7.0554 7.0554 7.3151 7.3151 7.3357 7.3357 7.3716 7.3716 7.5886 7.5886 7.6106 7.6106 7.8239 7.8239 7.9134 7.9134 7.9428 7.9428 8.4255 8.4255 8.6982 8.6982 9.5410 9.5410 9.5610 9.5610 10.5814 10.5814 10.6547 10.6547 10.6799 10.6799 10.9411 10.9411 k = 0.2730 0.4772-0.0000 ( 4435 PWs) bands (ev): 4.8686 4.8686 6.2254 6.2254 6.5630 6.5630 6.7538 6.7538 6.7966 6.7966 7.0508 7.0508 7.3235 7.3235 7.3383 7.3383 7.3665 7.3665 7.5809 7.5809 7.5970 7.5970 7.8144 7.8144 7.8943 7.8943 7.9277 7.9277 8.4250 8.4250 8.7108 8.7108 9.5491 9.5491 9.5706 9.5706 10.5754 10.5754 10.6805 10.6805 10.6984 10.6984 10.9251 10.9251 k = 0.2813 0.4917-0.0000 ( 4439 PWs) bands (ev): 4.9653 4.9653 6.1908 6.1908 6.5585 6.5585 6.7427 6.7427 6.7846 6.7846 7.0473 7.0473 7.3121 7.3121 7.3359 7.3359 7.3880 7.3880 7.5742 7.5742 7.5823 7.5823 7.8042 7.8042 7.8799 7.8799 7.9178 7.9178 8.4264 8.4264 8.7246 8.7246 9.5524 9.5524 9.5751 9.5751 10.5644 10.5644 10.7107 10.7107 10.7229 10.7229 10.9084 10.9084 k = 0.2896 0.5061-0.0000 ( 4439 PWs) bands (ev): 5.0625 5.0625 6.1531 6.1531 6.5548 6.5548 6.7300 6.7300 6.7711 6.7711 7.0450 7.0450 7.3016 7.3016 7.3313 7.3313 7.4110 7.4110 7.5662 7.5662 7.5688 7.5688 7.7934 7.7934 7.8708 7.8708 7.9130 7.9130 8.4303 8.4303 8.7395 8.7395 9.5509 9.5509 9.5742 9.5742 10.5466 10.5466 10.7453 10.7453 10.7533 10.7533 10.8913 10.8913 k = 0.2979 0.5206-0.0000 ( 4447 PWs) bands (ev): 5.1598 5.1598 6.1128 6.1128 6.5520 6.5520 6.7161 6.7161 6.7563 6.7563 7.0439 7.0439 7.2921 7.2921 7.3300 7.3300 7.4279 7.4279 7.5486 7.5486 7.5653 7.5653 7.7823 7.7823 7.8667 7.8667 7.9129 7.9129 8.4374 8.4374 8.7556 8.7556 9.5447 9.5447 9.5681 9.5681 10.5201 10.5201 10.7841 10.7841 10.7891 10.7891 10.8742 10.8742 k = 0.3061 0.5350-0.0000 ( 4447 PWs) bands (ev): 5.2569 5.2569 6.0708 6.0708 6.5499 6.5499 6.7011 6.7011 6.7407 6.7407 7.0438 7.0438 7.2837 7.2837 7.3320 7.3320 7.4368 7.4368 7.5296 7.5296 7.5647 7.5647 7.7709 7.7709 7.8675 7.8675 7.9170 7.9170 8.4480 8.4480 8.7729 8.7729 9.5342 9.5342 9.5572 9.5572 10.4841 10.4841 10.8257 10.8257 10.8299 10.8299 10.8581 10.8581 k = 0.3144 0.5495-0.0000 ( 4451 PWs) bands (ev): 5.3536 5.3536 6.0277 6.0277 6.5483 6.5483 6.6855 6.6855 6.7244 6.7244 7.0450 7.0450 7.2764 7.2764 7.3367 7.3367 7.4375 7.4375 7.5094 7.5094 7.5669 7.5669 7.7593 7.7593 7.8727 7.8727 7.9249 7.9249 8.4626 8.4626 8.7913 8.7913 9.5198 9.5198 9.5418 9.5418 10.4387 10.4387 10.8374 10.8374 10.8745 10.8745 10.8755 10.8755 k = 0.3227 0.5640-0.0000 ( 4451 PWs) bands (ev): 5.4495 5.4495 5.9840 5.9840 6.5470 6.5470 6.6695 6.6695 6.7078 6.7078 7.0474 7.0474 7.2705 7.2705 7.3436 7.3436 7.4316 7.4316 7.4885 7.4885 7.5708 7.5708 7.7472 7.7472 7.8815 7.8815 7.9359 7.9359 8.4814 8.4814 8.8110 8.8110 9.5021 9.5021 9.5227 9.5227 10.3855 10.3855 10.8216 10.8216 10.9223 10.9223 10.9232 10.9232 k = 0.3310 0.5784-0.0000 ( 4451 PWs) bands (ev): 5.5442 5.5442 5.9402 5.9402 6.5460 6.5460 6.6533 6.6533 6.6910 6.6910 7.0509 7.0509 7.2658 7.2658 7.3521 7.3521 7.4214 7.4214 7.4672 7.4672 7.5746 7.5746 7.7346 7.7346 7.8935 7.8935 7.9495 7.9495 8.5043 8.5043 8.8319 8.8319 9.4816 9.4816 9.5004 9.5004 10.3266 10.3266 10.8054 10.8054 10.9721 10.9721 10.9729 10.9729 k = 0.3392 0.5929-0.0000 ( 4447 PWs) bands (ev): 5.6375 5.6375 5.8968 5.8968 6.5451 6.5451 6.6372 6.6372 6.6743 6.6743 7.0554 7.0554 7.2625 7.2625 7.3612 7.3612 7.4090 7.4090 7.4458 7.4458 7.5772 7.5772 7.7215 7.7215 7.9078 7.9078 7.9653 7.9653 8.5314 8.5314 8.8540 8.8540 9.4588 9.4588 9.4755 9.4755 10.2643 10.2643 10.7895 10.7895 11.0221 11.0221 11.0229 11.0229 k = 0.3475 0.6073-0.0000 ( 4435 PWs) bands (ev): 5.7288 5.7288 5.8542 5.8542 6.5442 6.5442 6.6212 6.6212 6.6580 6.6580 7.0611 7.0611 7.2606 7.2606 7.3684 7.3684 7.3980 7.3980 7.4247 7.4247 7.5780 7.5780 7.7078 7.7078 7.9241 7.9241 7.9827 7.9827 8.5623 8.5623 8.8773 8.8773 9.4343 9.4343 9.4487 9.4487 10.2006 10.2006 10.7741 10.7741 11.0685 11.0685 11.0715 11.0715 k = 0.3558 0.6218-0.0000 ( 4427 PWs) bands (ev): 5.8093 5.8093 5.8213 5.8213 6.5432 6.5432 6.6057 6.6057 6.6421 6.6421 7.0677 7.0677 7.2599 7.2599 7.3658 7.3658 7.3967 7.3967 7.4041 7.4041 7.5768 7.5768 7.6936 7.6936 7.9416 7.9416 8.0013 8.0013 8.5967 8.5967 8.9017 8.9017 9.4087 9.4087 9.4206 9.4206 10.1370 10.1370 10.7594 10.7594 11.0993 11.0993 11.1174 11.1174 k = 0.3640 0.6363-0.0000 ( 4451 PWs) bands (ev): 5.7718 5.7718 5.9051 5.9051 6.5420 6.5420 6.5907 6.5907 6.6267 6.6267 7.0753 7.0753 7.2604 7.2604 7.3534 7.3534 7.3841 7.3841 7.4052 7.4052 7.5737 7.5737 7.6788 7.6788 7.9600 7.9600 8.0205 8.0205 8.6341 8.6341 8.9273 8.9273 9.3825 9.3825 9.3916 9.3916 10.0746 10.0746 10.7452 10.7452 11.1111 11.1111 11.1587 11.1587 k = 0.3723 0.6507-0.0000 ( 4451 PWs) bands (ev): 5.7331 5.7331 5.9887 5.9887 6.5405 6.5405 6.5764 6.5764 6.6122 6.6122 7.0838 7.0838 7.2619 7.2619 7.3385 7.3385 7.3652 7.3652 7.4165 7.4165 7.5691 7.5691 7.6636 7.6636 7.9790 7.9790 8.0402 8.0402 8.6741 8.6741 8.9539 8.9539 9.3561 9.3561 9.3624 9.3624 10.0146 10.0146 10.7318 10.7318 11.1174 11.1175 11.1935 11.1936 k = 0.3806 0.6652-0.0000 ( 4451 PWs) bands (ev): 5.6961 5.6961 6.0690 6.0690 6.5387 6.5387 6.5627 6.5627 6.5985 6.5985 7.0932 7.0932 7.2640 7.2640 7.3234 7.3234 7.3475 7.3475 7.4284 7.4284 7.5632 7.5632 7.6479 7.6479 7.9982 7.9982 8.0600 8.0600 8.7161 8.7161 8.9816 8.9816 9.3300 9.3300 9.3333 9.3333 9.9577 9.9577 10.7191 10.7191 11.1210 11.1210 11.2205 11.2205 k = 0.3889 0.6796-0.0000 ( 4435 PWs) bands (ev): 5.6610 5.6610 6.1455 6.1455 6.5366 6.5366 6.5499 6.5499 6.5858 6.5858 7.1035 7.1035 7.2664 7.2664 7.3086 7.3086 7.3315 7.3315 7.4404 7.4404 7.5565 7.5565 7.6320 7.6320 8.0173 8.0173 8.0795 8.0795 8.7594 8.7594 9.0100 9.0100 9.3043 9.3043 9.3050 9.3050 9.9044 9.9044 10.7072 10.7072 11.1218 11.1218 11.2386 11.2387 k = 0.3971 0.6941-0.0000 ( 4423 PWs) bands (ev): 5.6280 5.6280 6.2180 6.2180 6.5340 6.5340 6.5379 6.5379 6.5742 6.5742 7.1145 7.1145 7.2681 7.2681 7.2945 7.2945 7.3181 7.3181 7.4520 7.4520 7.5492 7.5492 7.6156 7.6156 8.0360 8.0360 8.0986 8.0986 8.8034 8.8034 9.0391 9.0391 9.2772 9.2772 9.2802 9.2802 9.8555 9.8555 10.6962 10.6962 11.1196 11.1196 11.2480 11.2480 k = 0.4054 0.7086-0.0000 ( 4423 PWs) bands (ev): 5.5971 5.5971 6.2861 6.2861 6.5268 6.5268 6.5309 6.5309 6.5639 6.5639 7.1261 7.1261 7.2673 7.2673 7.2812 7.2812 7.3088 7.3088 7.4632 7.4632 7.5415 7.5415 7.5991 7.5991 8.0539 8.0539 8.1169 8.1169 8.8473 8.8473 9.0686 9.0686 9.2509 9.2509 9.2572 9.2572 9.8113 9.8113 10.6859 10.6859 11.1142 11.1142 11.2493 11.2493 k = 0.4137 0.7230-0.0000 ( 4423 PWs) bands (ev): 5.5685 5.5685 6.3495 6.3495 6.5167 6.5167 6.5271 6.5271 6.5551 6.5551 7.1382 7.1382 7.2625 7.2625 7.2688 7.2688 7.3050 7.3050 7.4738 7.4738 7.5338 7.5338 7.5825 7.5825 8.0710 8.0710 8.1342 8.1342 8.8904 8.8904 9.0979 9.0979 9.2261 9.2261 9.2360 9.2360 9.7724 9.7724 10.6765 10.6765 11.1056 11.1056 11.2440 11.2441 k = 0.4137 0.7230-0.0000 ( 4423 PWs) bands (ev): 5.5685 5.5685 6.3495 6.3495 6.5167 6.5167 6.5271 6.5271 6.5551 6.5551 7.1382 7.1382 7.2625 7.2625 7.2688 7.2688 7.3050 7.3050 7.4738 7.4738 7.5338 7.5338 7.5825 7.5825 8.0710 8.0710 8.1342 8.1342 8.8904 8.8904 9.0979 9.0979 9.2261 9.2261 9.2360 9.2360 9.7724 9.7724 10.6765 10.6765 11.1056 11.1056 11.2439 11.2440 k = 0.4096 0.7159 0.0144 ( 4427 PWs) bands (ev): 5.5796 5.5796 6.3187 6.3187 6.5212 6.5212 6.5292 6.5292 6.5608 6.5608 7.1312 7.1312 7.2609 7.2609 7.2763 7.2763 7.3072 7.3072 7.4719 7.4719 7.5371 7.5371 7.5914 7.5914 8.0633 8.0633 8.1264 8.1264 8.8703 8.8703 9.0745 9.0745 9.2396 9.2396 9.2549 9.2549 9.7892 9.7892 10.6767 10.6767 11.1093 11.1093 11.2463 11.2463 k = 0.4055 0.7087 0.0288 ( 4433 PWs) bands (ev): 5.5856 5.5856 6.2873 6.2873 6.5214 6.5214 6.5356 6.5356 6.5692 6.5692 7.1230 7.1230 7.2553 7.2553 7.2814 7.2814 7.3118 7.3118 7.4762 7.4762 7.5397 7.5397 7.6016 7.6016 8.0566 8.0566 8.1197 8.1197 8.8522 8.8522 9.0407 9.0407 9.2510 9.2510 9.2895 9.2895 9.8033 9.8033 10.6694 10.6694 11.1104 11.1104 11.2436 11.2436 k = 0.4014 0.7016 0.0432 ( 4432 PWs) bands (ev): 5.5869 5.5869 6.2557 6.2557 6.5177 6.5177 6.5455 6.5455 6.5797 6.5797 7.1144 7.1144 7.2484 7.2484 7.2824 7.2824 7.3177 7.3177 7.4857 7.4857 7.5422 7.5422 7.6136 7.6136 8.0510 8.0510 8.1141 8.1141 8.8363 8.8363 9.0032 9.0032 9.2613 9.2613 9.3310 9.3310 9.8144 9.8144 10.6563 10.6563 11.1094 11.1094 11.2367 11.2367 k = 0.3973 0.6944 0.0576 ( 4436 PWs) bands (ev): 5.5836 5.5836 6.2244 6.2244 6.5121 6.5121 6.5562 6.5562 6.5927 6.5927 7.1058 7.1058 7.2414 7.2414 7.2801 7.2801 7.3242 7.3242 7.4976 7.4976 7.5455 7.5455 7.6275 7.6275 8.0465 8.0465 8.1097 8.1097 8.8226 8.8226 8.9653 8.9653 9.2713 9.2713 9.3755 9.3755 9.8221 9.8221 10.6388 10.6388 11.1065 11.1065 11.2264 11.2264 k = 0.3932 0.6873 0.0720 ( 4438 PWs) bands (ev): 5.5762 5.5762 6.1934 6.1934 6.5049 6.5049 6.5657 6.5657 6.6090 6.6090 7.0976 7.0976 7.2346 7.2346 7.2758 7.2758 7.3306 7.3306 7.5085 7.5085 7.5510 7.5510 7.6439 7.6439 8.0431 8.0431 8.1063 8.1063 8.8104 8.8104 8.9291 8.9291 9.2809 9.2809 9.4205 9.4205 9.8267 9.8267 10.6186 10.6186 11.1019 11.1019 11.2131 11.2131 k = 0.3891 0.6801 0.0864 ( 4438 PWs) bands (ev): 5.5654 5.5654 6.1628 6.1628 6.4964 6.4964 6.5732 6.5732 6.6287 6.6287 7.0902 7.0902 7.2280 7.2280 7.2710 7.2710 7.3367 7.3367 7.5153 7.5153 7.5601 7.5601 7.6631 7.6631 8.0411 8.0411 8.1040 8.1040 8.7978 8.7978 8.8975 8.8975 9.2903 9.2903 9.4642 9.4642 9.8286 9.8286 10.5968 10.5968 11.0956 11.0956 11.1972 11.1972 k = 0.3850 0.6730 0.1008 ( 4440 PWs) bands (ev): 5.5516 5.5516 6.1326 6.1326 6.4867 6.4867 6.5789 6.5789 6.6509 6.6509 7.0837 7.0837 7.2216 7.2216 7.2667 7.2667 7.3425 7.3425 7.5176 7.5176 7.5718 7.5718 7.6847 7.6847 8.0405 8.0405 8.1029 8.1029 8.7807 8.7807 8.8752 8.8752 9.2994 9.2994 9.5044 9.5044 9.8289 9.8289 10.5747 10.5747 11.0875 11.0875 11.1791 11.1791 k = 0.3810 0.6658 0.1152 ( 4442 PWs) bands (ev): 5.5356 5.5356 6.1029 6.1029 6.4762 6.4762 6.5833 6.5833 6.6748 6.6748 7.0784 7.0784 7.2151 7.2151 7.2634 7.2634 7.3480 7.3480 7.5172 7.5172 7.5842 7.5842 7.7081 7.7081 8.0417 8.0417 8.1031 8.1031 8.7559 8.7559 8.8658 8.8658 9.3084 9.3084 9.5388 9.5388 9.8293 9.8293 10.5536 10.5536 11.0777 11.0777 11.1589 11.1589 k = 0.3769 0.6586 0.1296 ( 4440 PWs) bands (ev): 5.5178 5.5178 6.0735 6.0735 6.4651 6.4651 6.5866 6.5866 6.6995 6.6995 7.0746 7.0746 7.2084 7.2084 7.2616 7.2616 7.3531 7.3531 7.5152 7.5152 7.5960 7.5960 7.7317 7.7317 8.0444 8.0444 8.1054 8.1054 8.7249 8.7249 8.8681 8.8681 9.3172 9.3172 9.5646 9.5646 9.8321 9.8321 10.5344 10.5344 11.0661 11.0661 11.1368 11.1368 k = 0.3728 0.6515 0.1440 ( 4434 PWs) bands (ev): 5.4989 5.4989 6.0445 6.0445 6.4537 6.4537 6.5892 6.5892 6.7243 6.7243 7.0724 7.0724 7.2013 7.2013 7.2613 7.2613 7.3579 7.3579 7.5125 7.5125 7.6071 7.6071 7.7538 7.7538 8.0478 8.0478 8.1117 8.1117 8.6907 8.6907 8.8790 8.8790 9.3258 9.3258 9.5794 9.5794 9.8395 9.8395 10.5184 10.5184 11.0524 11.0524 11.1127 11.1127 k = 0.3687 0.6443 0.1584 ( 4432 PWs) bands (ev): 5.4791 5.4791 6.0159 6.0159 6.4424 6.4424 6.5912 6.5912 6.7485 6.7485 7.0720 7.0720 7.1941 7.1941 7.2622 7.2622 7.3623 7.3623 7.5095 7.5095 7.6174 7.6174 7.7729 7.7729 8.0498 8.0498 8.1244 8.1244 8.6553 8.6553 8.8965 8.8965 9.3344 9.3344 9.5823 9.5823 9.8522 9.8522 10.5064 10.5064 11.0366 11.0366 11.0863 11.0863 k = 0.3646 0.6372 0.1728 ( 4434 PWs) bands (ev): 5.4591 5.4591 5.9876 5.9876 6.4315 6.4315 6.5927 6.5927 6.7715 6.7715 7.0734 7.0734 7.1870 7.1870 7.2640 7.2640 7.3661 7.3661 7.5067 7.5067 7.6270 7.6270 7.7878 7.7878 8.0490 8.0490 8.1459 8.1459 8.6198 8.6198 8.9193 8.9193 9.3428 9.3428 9.5747 9.5747 9.8690 9.8690 10.4992 10.4992 11.0185 11.0185 11.0556 11.0556 k = 0.3605 0.6300 0.1872 ( 4440 PWs) bands (ev): 5.4390 5.4390 5.9596 5.9596 6.4213 6.4213 6.5938 6.5938 6.7930 6.7930 7.0769 7.0769 7.1802 7.1802 7.2664 7.2664 7.3694 7.3694 7.5045 7.5045 7.6360 7.6360 7.7982 7.7982 8.0451 8.0451 8.1762 8.1762 8.5844 8.5844 8.9466 8.9466 9.3511 9.3511 9.5591 9.5591 9.8877 9.8877 10.4974 10.4974 10.9964 10.9964 11.0145 11.0145 k = 0.3564 0.6229 0.2016 ( 4437 PWs) bands (ev): 5.4193 5.4193 5.9321 5.9321 6.4121 6.4121 6.5947 6.5947 6.8126 6.8126 7.0822 7.0822 7.1741 7.1741 7.2692 7.2692 7.3721 7.3721 7.5031 7.5031 7.6445 7.6445 7.8043 7.8043 8.0384 8.0384 8.2141 8.2141 8.5496 8.5496 8.9777 8.9777 9.3593 9.3593 9.5382 9.5382 9.9063 9.9063 10.5011 10.5011 10.9492 10.9492 10.9798 10.9798 k = 0.3523 0.6157 0.2160 ( 4433 PWs) bands (ev): 5.4002 5.4002 5.9051 5.9051 6.4042 6.4042 6.5953 6.5953 6.8301 6.8301 7.0892 7.0892 7.1690 7.1690 7.2721 7.2721 7.3741 7.3741 7.5024 7.5024 7.6524 7.6524 7.8069 7.8069 8.0296 8.0296 8.2583 8.2583 8.5153 8.5153 9.0117 9.0117 9.3674 9.3674 9.5141 9.5141 9.9237 9.9237 10.5102 10.5102 10.8849 10.8849 10.9548 10.9548 k = 0.3482 0.6086 0.2304 ( 4437 PWs) bands (ev): 5.3819 5.3819 5.8786 5.8786 6.3975 6.3975 6.5957 6.5957 6.8456 6.8456 7.0971 7.0971 7.1656 7.1656 7.2749 7.2749 7.3756 7.3756 7.5025 7.5025 7.6598 7.6598 7.8066 7.8066 8.0189 8.0189 8.3073 8.3073 8.4818 8.4818 9.0480 9.0480 9.3753 9.3753 9.4884 9.4884 9.9396 9.9396 10.5240 10.5240 10.8197 10.8197 10.9287 10.9287 k = 0.3441 0.6014 0.2448 ( 4442 PWs) bands (ev): 5.3647 5.3647 5.8528 5.8528 6.3923 6.3923 6.5960 6.5960 6.8592 6.8592 7.1048 7.1048 7.1648 7.1648 7.2776 7.2776 7.3769 7.3769 7.5031 7.5031 7.6666 7.6666 7.8041 7.8041 8.0067 8.0067 8.3592 8.3592 8.4498 8.4498 9.0857 9.0857 9.3830 9.3830 9.4627 9.4627 9.9541 9.9541 10.5414 10.5414 10.7555 10.7555 10.9008 10.9008 k = 0.3400 0.5943 0.2592 ( 4441 PWs) bands (ev): 5.3486 5.3486 5.8276 5.8276 6.3886 6.3886 6.5962 6.5962 6.8711 6.8711 7.1108 7.1108 7.1680 7.1680 7.2801 7.2801 7.3780 7.3780 7.5040 7.5040 7.6729 7.6729 7.8000 7.8000 7.9931 7.9931 8.3996 8.3996 8.4330 8.4330 9.1242 9.1242 9.3903 9.3903 9.4378 9.4378 9.9680 9.9680 10.5611 10.5611 10.6930 10.6930 10.8712 10.8712 k = 0.3359 0.5871 0.2736 ( 4441 PWs) bands (ev): 5.3339 5.3339 5.8033 5.8033 6.3864 6.3864 6.5964 6.5964 6.8817 6.8817 7.1140 7.1140 7.1757 7.1757 7.2823 7.2823 7.3795 7.3795 7.5049 7.5049 7.6785 7.6785 7.7947 7.7947 7.9784 7.9784 8.3782 8.3782 8.4808 8.4808 9.1626 9.1626 9.3965 9.3965 9.4156 9.4156 9.9818 9.9818 10.5809 10.5809 10.6323 10.6323 10.8399 10.8399 k = 0.3318 0.5800 0.2880 ( 4435 PWs) bands (ev): 5.3207 5.3207 5.7799 5.7799 6.3857 6.3857 6.5966 6.5966 6.8913 6.8913 7.1149 7.1149 7.1872 7.1872 7.2841 7.2841 7.3814 7.3814 7.5055 7.5055 7.6835 7.6835 7.7886 7.7886 7.9627 7.9627 8.3471 8.3471 8.5404 8.5404 9.2000 9.2000 9.3906 9.3906 9.4077 9.4077 9.9963 9.9963 10.5727 10.5727 10.5994 10.5994 10.8072 10.8072 k = 0.3278 0.5728 0.3024 ( 4439 PWs) bands (ev): 5.3090 5.3090 5.7574 5.7574 6.3864 6.3864 6.5968 6.5968 6.9003 6.9003 7.1145 7.1145 7.2008 7.2008 7.2854 7.2854 7.3842 7.3842 7.5055 7.5055 7.6876 7.6876 7.7819 7.7819 7.9462 7.9462 8.3153 8.3153 8.6024 8.6024 9.2355 9.2355 9.3745 9.3745 9.4132 9.4132 10.0118 10.0118 10.5159 10.5159 10.6110 10.6110 10.7734 10.7734 k = 0.3237 0.5657 0.3168 ( 4435 PWs) bands (ev): 5.2990 5.2990 5.7360 5.7360 6.3884 6.3884 6.5971 6.5971 6.9089 6.9089 7.1137 7.1137 7.2154 7.2154 7.2863 7.2863 7.3881 7.3881 7.5049 7.5049 7.6908 7.6908 7.7748 7.7748 7.9292 7.9292 8.2834 8.2834 8.6657 8.6657 9.2677 9.2677 9.3621 9.3621 9.4193 9.4193 10.0288 10.0288 10.4609 10.4609 10.6134 10.6134 10.7387 10.7387 k = 0.3196 0.5585 0.3312 ( 4436 PWs) bands (ev): 5.2907 5.2907 5.7156 5.7156 6.3917 6.3917 6.5975 6.5975 6.9173 6.9173 7.1131 7.1131 7.2294 7.2294 7.2872 7.2872 7.3933 7.3933 7.5033 7.5033 7.6929 7.6929 7.7677 7.7677 7.9117 7.9117 8.2515 8.2515 8.7297 8.7297 9.2937 9.2937 9.3571 9.3571 9.4253 9.4253 10.0470 10.0470 10.4077 10.4077 10.6046 10.6046 10.7035 10.7035 k = 0.3155 0.5514 0.3456 ( 4432 PWs) bands (ev): 5.2842 5.2842 5.6963 5.6963 6.3961 6.3961 6.5982 6.5982 6.9258 6.9258 7.1128 7.1128 7.2412 7.2412 7.2892 7.2892 7.3998 7.3998 7.5008 7.5008 7.6938 7.6938 7.7607 7.7607 7.8940 7.8940 8.2195 8.2195 8.7942 8.7942 9.3088 9.3088 9.3644 9.3644 9.4308 9.4308 10.0660 10.0660 10.3564 10.3564 10.5863 10.5863 10.6680 10.6680 k = 0.3114 0.5442 0.3600 ( 4433 PWs) bands (ev): 5.2796 5.2796 5.6781 5.6781 6.4016 6.4016 6.5990 6.5990 6.9344 6.9344 7.1131 7.1131 7.2485 7.2485 7.2941 7.2941 7.4076 7.4076 7.4976 7.4976 7.6932 7.6932 7.7541 7.7541 7.8764 7.8764 8.1874 8.1874 8.8588 8.8588 9.3144 9.3144 9.3827 9.3827 9.4360 9.4360 10.0849 10.0849 10.3070 10.3070 10.5616 10.5616 10.6325 10.6325 k = 0.3073 0.5371 0.3744 ( 4431 PWs) bands (ev): 5.2769 5.2769 5.6609 5.6609 6.4081 6.4081 6.6000 6.6000 6.9432 6.9432 7.1142 7.1142 7.2500 7.2500 7.3029 7.3029 7.4164 7.4164 7.4938 7.4938 7.6909 7.6909 7.7480 7.7480 7.8592 7.8592 8.1552 8.1552 8.9232 8.9232 9.3183 9.3183 9.4045 9.4045 9.4408 9.4408 10.1020 10.1020 10.2594 10.2594 10.5333 10.5333 10.5971 10.5971 k = 0.3032 0.5299 0.3888 ( 4430 PWs) bands (ev): 5.2761 5.2761 5.6447 5.6447 6.4155 6.4155 6.6011 6.6011 6.9525 6.9525 7.1159 7.1159 7.2469 7.2469 7.3141 7.3141 7.4255 7.4255 7.4903 7.4903 7.6868 7.6868 7.7425 7.7425 7.8427 7.8427 8.1229 8.1229 8.9871 8.9871 9.3242 9.3242 9.4261 9.4261 9.4453 9.4453 10.1151 10.1151 10.2140 10.2140 10.5032 10.5032 10.5622 10.5622 k = 0.2991 0.5228 0.4032 ( 4430 PWs) bands (ev): 5.2772 5.2772 5.6294 5.6294 6.4236 6.4236 6.6023 6.6023 6.9622 6.9622 7.1184 7.1184 7.2410 7.2410 7.3255 7.3255 7.4339 7.4339 7.4882 7.4882 7.6810 7.6810 7.7374 7.7374 7.8272 7.8272 8.0906 8.0906 9.0502 9.0502 9.3334 9.3334 9.4458 9.4458 9.4505 9.4505 10.1203 10.1203 10.1720 10.1720 10.4730 10.4730 10.5280 10.5280 k = 0.2950 0.5156 0.4176 ( 4430 PWs) bands (ev): 5.2803 5.2803 5.6150 5.6150 6.4325 6.4325 6.6034 6.6034 6.9723 6.9723 7.1215 7.1215 7.2333 7.2333 7.3357 7.3357 7.4402 7.4402 7.4898 7.4898 7.6737 7.6737 7.7324 7.7324 7.8132 7.8132 8.0583 8.0583 9.1122 9.1122 9.3463 9.3463 9.4529 9.4529 9.4669 9.4669 10.1074 10.1074 10.1410 10.1410 10.4437 10.4437 10.4949 10.4949 k = 0.2909 0.5085 0.4320 ( 4424 PWs) bands (ev): 5.2855 5.2855 5.6012 5.6012 6.4419 6.4419 6.6043 6.6043 6.9828 6.9828 7.1253 7.1253 7.2244 7.2244 7.3429 7.3429 7.4437 7.4437 7.4966 7.4966 7.6653 7.6653 7.7272 7.7272 7.8010 7.8010 8.0261 8.0261 9.1729 9.1729 9.3629 9.3629 9.4570 9.4570 9.4851 9.4851 10.0726 10.0726 10.1227 10.1227 10.4164 10.4164 10.4629 10.4629 k = 0.2868 0.5013 0.4464 ( 4436 PWs) bands (ev): 5.2926 5.2926 5.5880 5.5880 6.4520 6.4520 6.6048 6.6048 6.9937 6.9937 7.1296 7.1296 7.2148 7.2148 7.3455 7.3455 7.4464 7.4464 7.5078 7.5078 7.6561 7.6561 7.7215 7.7215 7.7907 7.7907 7.9941 7.9941 9.2317 9.2317 9.3831 9.3831 9.4612 9.4612 9.5026 9.5026 10.0324 10.0324 10.1000 10.1000 10.3914 10.3914 10.4324 10.4324 k = 0.2827 0.4941 0.4608 ( 4438 PWs) bands (ev): 5.3016 5.3016 5.5750 5.5750 6.4625 6.4625 6.6046 6.6046 7.0050 7.0050 7.1342 7.1342 7.2050 7.2050 7.3427 7.3427 7.4510 7.4510 7.5219 7.5219 7.6464 7.6464 7.7155 7.7155 7.7822 7.7822 7.9624 7.9624 9.2883 9.2883 9.4068 9.4068 9.4658 9.4658 9.5195 9.5195 9.9916 9.9916 10.0687 10.0687 10.3688 10.3688 10.4037 10.4037 k = 0.2786 0.4870 0.4752 ( 4440 PWs) bands (ev): 5.3127 5.3127 5.5621 5.5621 6.4734 6.4734 6.6035 6.6035 7.0166 7.0166 7.1385 7.1385 7.1958 7.1958 7.3346 7.3346 7.4584 7.4584 7.5376 7.5376 7.6365 7.6365 7.7094 7.7094 7.7752 7.7752 7.9312 7.9312 9.3422 9.3422 9.4334 9.4334 9.4713 9.4713 9.5358 9.5358 9.9510 9.9510 10.0301 10.0301 10.3483 10.3483 10.3770 10.3770 k = 0.2746 0.4798 0.4897 ( 4440 PWs) bands (ev): 5.3257 5.3257 5.5489 5.5489 6.4847 6.4847 6.6012 6.6012 7.0286 7.0286 7.1414 7.1414 7.1886 7.1886 7.3224 7.3224 7.4681 7.4681 7.5539 7.5539 7.6270 7.6270 7.7037 7.7037 7.7694 7.7694 7.9007 7.9007 9.3927 9.3927 9.4618 9.4618 9.4788 9.4788 9.5518 9.5518 9.9109 9.9109 9.9861 9.9861 10.3297 10.3297 10.3527 10.3527 k = 0.2705 0.4727 0.5041 ( 4440 PWs) bands (ev): 5.3406 5.3406 5.5351 5.5351 6.4963 6.4963 6.5975 6.5975 7.0406 7.0406 7.1409 7.1409 7.1855 7.1855 7.3075 7.3075 7.4794 7.4794 7.5692 7.5692 7.6190 7.6190 7.6987 7.6987 7.7644 7.7644 7.8711 7.8711 9.4389 9.4389 9.4810 9.4810 9.4991 9.4991 9.5674 9.5674 9.8717 9.8717 9.9389 9.9389 10.3131 10.3131 10.3312 10.3312 k = 0.2664 0.4655 0.5185 ( 4438 PWs) bands (ev): 5.3574 5.3574 5.5204 5.5204 6.5081 6.5081 6.5922 6.5922 7.0527 7.0527 7.1361 7.1361 7.1877 7.1877 7.2912 7.2912 7.4916 7.4916 7.5787 7.5787 7.6171 7.6171 7.6945 7.6945 7.7599 7.7599 7.8430 7.8430 9.4783 9.4783 9.4924 9.4924 9.5315 9.5315 9.5829 9.5829 9.8340 9.8340 9.8901 9.8901 10.2986 10.2986 10.3127 10.3127 k = 0.2623 0.4584 0.5329 ( 4440 PWs) bands (ev): 5.3761 5.3761 5.5043 5.5043 6.5200 6.5200 6.5852 6.5852 7.0647 7.0647 7.1282 7.1282 7.1943 7.1943 7.2745 7.2745 7.5043 7.5043 7.5767 7.5767 7.6266 7.6266 7.6909 7.6909 7.7562 7.7562 7.8170 7.8170 9.4984 9.4984 9.5165 9.5165 9.5655 9.5655 9.5983 9.5983 9.7993 9.7993 9.8414 9.8414 10.2867 10.2867 10.2977 10.2977 k = 0.2582 0.4512 0.5473 ( 4448 PWs) bands (ev): 5.3966 5.3966 5.4863 5.4863 6.5320 6.5320 6.5765 6.5765 7.0764 7.0764 7.1188 7.1188 7.2036 7.2036 7.2579 7.2579 7.5173 7.5173 7.5676 7.5676 7.6422 7.6422 7.6872 7.6872 7.7538 7.7538 7.7940 7.7940 9.5109 9.5109 9.5393 9.5393 9.5977 9.5977 9.6144 9.6144 9.7699 9.7699 9.7951 9.7951 10.2780 10.2780 10.2862 10.2862 k = 0.2541 0.4441 0.5617 ( 4451 PWs) bands (ev): 5.4189 5.4189 5.4659 5.4659 6.5440 6.5440 6.5663 6.5663 7.0876 7.0876 7.1088 7.1088 7.2148 7.2148 7.2422 7.2422 7.5304 7.5304 7.5562 7.5562 7.6582 7.6582 7.6815 7.6815 7.7547 7.7547 7.7754 7.7754 9.5246 9.5246 9.5479 9.5479 9.6208 9.6208 9.6328 9.6328 9.7490 9.7490 9.7571 9.7571 10.2732 10.2732 10.2783 10.2783 k = 0.2500 0.4369 0.5761 ( 4448 PWs) bands (ev): 5.4427 5.4427 5.4429 5.4429 6.5547 6.5547 6.5562 6.5562 7.0982 7.0982 7.0987 7.0987 7.2276 7.2276 7.2280 7.2280 7.5434 7.5434 7.5437 7.5437 7.6716 7.6716 7.6721 7.6721 7.7616 7.7616 7.7620 7.7620 9.5396 9.5396 9.5402 9.5402 9.6357 9.6357 9.6363 9.6363 9.7402 9.7402 9.7422 9.7422 10.2730 10.2730 10.2742 10.2742 k = 0.2500 0.4369 0.5761 ( 4448 PWs) bands (ev): 5.4427 5.4427 5.4429 5.4429 6.5547 6.5547 6.5562 6.5562 7.0982 7.0982 7.0987 7.0987 7.2276 7.2276 7.2280 7.2280 7.5434 7.5434 7.5437 7.5437 7.6716 7.6716 7.6721 7.6721 7.7616 7.7616 7.7620 7.7620 9.5396 9.5396 9.5402 9.5402 9.6357 9.6357 9.6363 9.6363 9.7402 9.7402 9.7422 9.7422 10.2730 10.2730 10.2742 10.2742 k = 0.2400 0.4427 0.5645 ( 4452 PWs) bands (ev): 5.4419 5.4419 5.4426 5.4426 6.5543 6.5543 6.5574 6.5574 7.0984 7.0984 7.0989 7.0989 7.2277 7.2277 7.2282 7.2282 7.5424 7.5424 7.5441 7.5441 7.6574 7.6574 7.6805 7.6805 7.7537 7.7537 7.7768 7.7768 9.5347 9.5347 9.5366 9.5366 9.6252 9.6252 9.6276 9.6276 9.7526 9.7526 9.7580 9.7580 10.2733 10.2733 10.2768 10.2768 k = 0.2300 0.4484 0.5530 ( 4448 PWs) bands (ev): 5.4399 5.4399 5.4414 5.4414 6.5542 6.5542 6.5598 6.5598 7.0989 7.0989 7.0996 7.0996 7.2282 7.2282 7.2290 7.2290 7.5407 7.5407 7.5439 7.5439 7.6407 7.6407 7.6792 7.6792 7.7566 7.7566 7.7950 7.7950 9.5205 9.5205 9.5232 9.5232 9.6085 9.6085 9.6099 9.6099 9.7834 9.7834 9.7912 9.7912 10.2761 10.2761 10.2828 10.2828 k = 0.2200 0.4541 0.5415 ( 4448 PWs) bands (ev): 5.4368 5.4368 5.4390 5.4390 6.5549 6.5549 6.5631 6.5631 7.0998 7.0998 7.1007 7.1007 7.2291 7.2291 7.2302 7.2302 7.5384 7.5384 7.5431 7.5431 7.6234 7.6234 7.6694 7.6694 7.7692 7.7692 7.8149 7.8149 9.4966 9.4966 9.4994 9.4994 9.5948 9.5948 9.5969 9.5969 9.8216 9.8216 9.8308 9.8308 10.2817 10.2817 10.2916 10.2916 k = 0.2100 0.4598 0.5300 ( 4442 PWs) bands (ev): 5.4327 5.4327 5.4356 5.4356 6.5566 6.5566 6.5672 6.5672 7.1008 7.1008 7.1019 7.1019 7.2303 7.2303 7.2319 7.2319 7.5356 7.5356 7.5413 7.5413 7.6062 7.6062 7.6559 7.6559 7.7868 7.7868 7.8357 7.8357 9.4658 9.4658 9.4687 9.4687 9.5849 9.5849 9.5899 9.5899 9.8628 9.8628 9.8731 9.8731 10.2899 10.2899 10.3029 10.3029 k = 0.2000 0.4655 0.5185 ( 4444 PWs) bands (ev): 5.4277 5.4277 5.4312 5.4312 6.5592 6.5592 6.5720 6.5720 7.1019 7.1019 7.1032 7.1032 7.2320 7.2320 7.2340 7.2340 7.5321 7.5321 7.5386 7.5386 7.5895 7.5895 7.6414 7.6414 7.8067 7.8067 7.8571 7.8571 9.4317 9.4317 9.4351 9.4351 9.5779 9.5779 9.5856 9.5856 9.9053 9.9053 9.9164 9.9164 10.3005 10.3005 10.3164 10.3164 k = 0.1900 0.4713 0.5069 ( 4438 PWs) bands (ev): 5.4219 5.4219 5.4259 5.4259 6.5628 6.5628 6.5776 6.5776 7.1030 7.1030 7.1044 7.1044 7.2340 7.2340 7.2366 7.2366 7.5277 7.5277 7.5347 7.5347 7.5738 7.5738 7.6271 7.6271 7.8278 7.8278 7.8788 7.8788 9.3967 9.3967 9.4009 9.4009 9.5724 9.5724 9.5823 9.5823 9.9483 9.9483 9.9601 9.9601 10.3131 10.3131 10.3317 10.3317 k = 0.1800 0.4770 0.4954 ( 4438 PWs) bands (ev): 5.4154 5.4154 5.4198 5.4198 6.5675 6.5675 6.5840 6.5840 7.1039 7.1039 7.1053 7.1053 7.2363 7.2363 7.2395 7.2395 7.5220 7.5220 7.5296 7.5296 7.5597 7.5597 7.6138 7.6138 7.8495 7.8495 7.9007 7.9007 9.3622 9.3622 9.3673 9.3673 9.5676 9.5676 9.5795 9.5795 9.9914 9.9914 10.0037 10.0037 10.3273 10.3273 10.3484 10.3484 k = 0.1700 0.4827 0.4839 ( 4440 PWs) bands (ev): 5.4083 5.4083 5.4130 5.4130 6.5732 6.5732 6.5913 6.5913 7.1045 7.1045 7.1059 7.1059 7.2387 7.2387 7.2427 7.2427 7.5145 7.5145 7.5231 7.5231 7.5479 7.5479 7.6017 7.6017 7.8714 7.8714 7.9224 7.9224 9.3290 9.3290 9.3351 9.3351 9.5632 9.5632 9.5767 9.5767 10.0340 10.0340 10.0468 10.0468 10.3424 10.3424 10.3660 10.3660 k = 0.1600 0.4884 0.4724 ( 4436 PWs) bands (ev): 5.4007 5.4007 5.4056 5.4056 6.5799 6.5799 6.5993 6.5993 7.1048 7.1048 7.1059 7.1059 7.2411 7.2411 7.2460 7.2460 7.5050 7.5050 7.5154 7.5154 7.5387 7.5387 7.5911 7.5911 7.8934 7.8934 7.9439 7.9439 9.2977 9.2977 9.3047 9.3047 9.5590 9.5590 9.5740 9.5740 10.0760 10.0760 10.0891 10.0891 10.3580 10.3580 10.3838 10.3838 k = 0.1500 0.4941 0.4608 ( 4438 PWs) bands (ev): 5.3928 5.3928 5.3978 5.3978 6.5877 6.5877 6.6081 6.6081 7.1047 7.1047 7.1054 7.1054 7.2432 7.2432 7.2492 7.2492 7.4942 7.4942 7.5067 7.5067 7.5318 7.5318 7.5817 7.5817 7.9152 7.9152 7.9649 7.9649 9.2687 9.2687 9.2766 9.2766 9.5550 9.5550 9.5710 9.5710 10.1168 10.1168 10.1302 10.1302 10.3733 10.3733 10.4012 10.4012 k = 0.1400 0.4999 0.4493 ( 4440 PWs) bands (ev): 5.3846 5.3846 5.3897 5.3897 6.5965 6.5965 6.6176 6.6176 7.1042 7.1042 7.1045 7.1045 7.2448 7.2448 7.2519 7.2519 7.4829 7.4829 7.4976 7.4976 7.5263 7.5263 7.5735 7.5735 7.9366 7.9366 7.9851 7.9851 9.2422 9.2422 9.2510 9.2510 9.5510 9.5510 9.5680 9.5680 10.1564 10.1564 10.1698 10.1698 10.3874 10.3874 10.4171 10.4171 k = 0.1300 0.5056 0.4378 ( 4442 PWs) bands (ev): 5.3764 5.3764 5.3814 5.3814 6.6061 6.6061 6.6278 6.6278 7.1026 7.1026 7.1037 7.1037 7.2457 7.2457 7.2540 7.2540 7.4721 7.4721 7.4883 7.4883 7.5218 7.5218 7.5662 7.5662 7.9572 7.9572 8.0044 8.0044 9.2187 9.2187 9.2281 9.2281 9.5470 9.5470 9.5647 9.5647 10.1942 10.1942 10.2075 10.2075 10.3994 10.3994 10.4308 10.4308 k = 0.1200 0.5113 0.4263 ( 4436 PWs) bands (ev): 5.3682 5.3682 5.3731 5.3731 6.6166 6.6166 6.6385 6.6385 7.1006 7.1006 7.1027 7.1027 7.2458 7.2458 7.2552 7.2552 7.4621 7.4621 7.4793 7.4793 7.5180 7.5180 7.5595 7.5595 7.9771 7.9771 8.0225 8.0225 9.1981 9.1981 9.2081 9.2081 9.5430 9.5430 9.5612 9.5612 10.2299 10.2299 10.2431 10.2431 10.4084 10.4084 10.4413 10.4413 k = 0.1100 0.5170 0.4148 ( 4434 PWs) bands (ev): 5.3602 5.3602 5.3649 5.3649 6.6278 6.6278 6.6497 6.6497 7.0981 7.0981 7.1015 7.1015 7.2449 7.2449 7.2553 7.2553 7.4533 7.4533 7.4709 7.4709 7.5147 7.5147 7.5534 7.5534 7.9959 7.9959 8.0392 8.0392 9.1808 9.1808 9.1910 9.1910 9.5391 9.5391 9.5575 9.5575 10.2631 10.2631 10.2762 10.2762 10.4140 10.4140 10.4477 10.4477 k = 0.1000 0.5228 0.4032 ( 4428 PWs) bands (ev): 5.3525 5.3525 5.3569 5.3569 6.6396 6.6396 6.6612 6.6612 7.0952 7.0952 7.1000 7.1000 7.2430 7.2430 7.2542 7.2542 7.4456 7.4456 7.4632 7.4632 7.5121 7.5121 7.5478 7.5478 8.0135 8.0135 8.0544 8.0544 9.1666 9.1666 9.1769 9.1769 9.5351 9.5351 9.5535 9.5535 10.2933 10.2933 10.3062 10.3062 10.4159 10.4159 10.4499 10.4499 k = 0.0900 0.5285 0.3917 ( 4432 PWs) bands (ev): 5.3451 5.3451 5.3493 5.3493 6.6517 6.6517 6.6727 6.6727 7.0921 7.0921 7.0982 7.0982 7.2401 7.2401 7.2519 7.2519 7.4391 7.4391 7.4562 7.4562 7.5101 7.5101 7.5426 7.5426 8.0297 8.0297 8.0678 8.0678 9.1555 9.1555 9.1655 9.1655 9.5312 9.5312 9.5492 9.5492 10.3200 10.3200 10.3325 10.3325 10.4151 10.4151 10.4486 10.4486 k = 0.0800 0.5342 0.3802 ( 4432 PWs) bands (ev): 5.3383 5.3383 5.3421 5.3421 6.6640 6.6640 6.6841 6.6841 7.0889 7.0889 7.0961 7.0961 7.2365 7.2365 7.2486 7.2486 7.4337 7.4337 7.4500 7.4500 7.5088 7.5088 7.5379 7.5379 8.0446 8.0446 8.0794 8.0794 9.1473 9.1473 9.1569 9.1569 9.5274 9.5274 9.5447 9.5447 10.3421 10.3421 10.3536 10.3536 10.4137 10.4137 10.4453 10.4453 k = 0.0700 0.5399 0.3687 ( 4432 PWs) bands (ev): 5.3321 5.3321 5.3355 5.3355 6.6761 6.6761 6.6951 6.6951 7.0856 7.0856 7.0938 7.0938 7.2325 7.2325 7.2445 7.2445 7.4293 7.4293 7.4445 7.4445 7.5081 7.5081 7.5337 7.5337 8.0579 8.0579 8.0892 8.0892 9.1417 9.1417 9.1506 9.1506 9.5237 9.5237 9.5401 9.5401 10.3584 10.3584 10.3663 10.3663 10.4158 10.4158 10.4425 10.4425 k = 0.0600 0.5456 0.3572 ( 4432 PWs) bands (ev): 5.3266 5.3266 5.3296 5.3296 6.6880 6.6880 6.7053 6.7053 7.0825 7.0825 7.0912 7.0912 7.2284 7.2284 7.2400 7.2400 7.4258 7.4258 7.4396 7.4396 7.5081 7.5081 7.5300 7.5300 8.0697 8.0697 8.0971 8.0971 9.1384 9.1384 9.1463 9.1463 9.5203 9.5203 9.5353 9.5353 10.3670 10.3670 10.3687 10.3687 10.4243 10.4243 10.4430 10.4430 k = 0.0500 0.5514 0.3456 ( 4426 PWs) bands (ev): 5.3218 5.3218 5.3244 5.3244 6.6991 6.6991 6.7145 6.7145 7.0797 7.0797 7.0885 7.0885 7.2245 7.2245 7.2352 7.2352 7.4231 7.4231 7.4352 7.4352 7.5085 7.5085 7.5267 7.5267 8.0799 8.0799 8.1033 8.1033 9.1369 9.1369 9.1437 9.1437 9.5173 9.5173 9.5306 9.5306 10.3647 10.3647 10.3682 10.3682 10.4362 10.4362 10.4476 10.4476 k = 0.0400 0.5571 0.3341 ( 4426 PWs) bands (ev): 5.3179 5.3179 5.3200 5.3200 6.7093 6.7093 6.7223 6.7223 7.0773 7.0773 7.0855 7.0855 7.2212 7.2212 7.2305 7.2305 7.4212 7.4212 7.4312 7.4312 7.5094 7.5094 7.5238 7.5238 8.0887 8.0887 8.1076 8.1076 9.1368 9.1368 9.1423 9.1423 9.5148 9.5148 9.5260 9.5260 10.3590 10.3590 10.3646 10.3646 10.4477 10.4477 10.4545 10.4545 k = 0.0300 0.5628 0.3226 ( 4428 PWs) bands (ev): 5.3148 5.3148 5.3164 5.3164 6.7181 6.7181 6.7283 6.7283 7.0757 7.0757 7.0826 7.0826 7.2188 7.2188 7.2262 7.2262 7.4200 7.4200 7.4278 7.4278 7.5106 7.5106 7.5213 7.5213 8.0960 8.0960 8.1104 8.1104 9.1374 9.1374 9.1417 9.1417 9.5130 9.5130 9.5218 9.5218 10.3536 10.3536 10.3591 10.3591 10.4574 10.4574 10.4615 10.4615 k = 0.0200 0.5685 0.3111 ( 4428 PWs) bands (ev): 5.3127 5.3127 5.3138 5.3138 6.7252 6.7252 6.7323 6.7323 7.0748 7.0748 7.0798 7.0798 7.2173 7.2173 7.2225 7.2225 7.4196 7.4196 7.4249 7.4249 7.5120 7.5120 7.5191 7.5191 8.1019 8.1019 8.1116 8.1116 9.1385 9.1385 9.1414 9.1414 9.5121 9.5121 9.5182 9.5182 10.3497 10.3497 10.3538 10.3538 10.4646 10.4646 10.4669 10.4669 k = 0.0100 0.5743 0.2996 ( 4424 PWs) bands (ev): 5.3115 5.3115 5.3121 5.3121 6.7304 6.7304 6.7340 6.7340 7.0748 7.0748 7.0775 7.0775 7.2170 7.2170 7.2197 7.2197 7.4199 7.4199 7.4225 7.4225 7.5136 7.5136 7.5171 7.5171 8.1064 8.1064 8.1113 8.1113 9.1395 9.1395 9.1411 9.1411 9.5120 9.5120 9.5154 9.5154 10.3476 10.3476 10.3498 10.3498 10.4691 10.4691 10.4703 10.4703 k = 0.0000 0.5800 0.2880 ( 4430 PWs) bands (ev): 5.3112 5.3112 5.3114 5.3114 6.7334 6.7334 6.7334 6.7334 7.0757 7.0757 7.0758 7.0758 7.2178 7.2178 7.2178 7.2178 7.4208 7.4208 7.4209 7.4209 7.5151 7.5151 7.5155 7.5155 8.1094 8.1094 8.1096 8.1096 9.1400 9.1400 9.1409 9.1409 9.5124 9.5124 9.5140 9.5140 10.3476 10.3476 10.3477 10.3477 10.4709 10.4709 10.4712 10.4712 k = 0.0000 0.5800 0.2880 ( 4430 PWs) bands (ev): 5.3112 5.3112 5.3114 5.3114 6.7334 6.7334 6.7334 6.7334 7.0757 7.0757 7.0758 7.0758 7.2178 7.2178 7.2178 7.2178 7.4208 7.4208 7.4209 7.4209 7.5151 7.5151 7.5155 7.5155 8.1094 8.1094 8.1096 8.1096 9.1400 9.1400 9.1409 9.1409 9.5124 9.5124 9.5140 9.5140 10.3476 10.3476 10.3477 10.3477 10.4709 10.4709 10.4712 10.4712 k =-0.0129 0.5755 0.2970 ( 4424 PWs) bands (ev): 5.3053 5.3053 5.3196 5.3196 6.7286 6.7286 6.7364 6.7364 7.0745 7.0745 7.0762 7.0762 7.2090 7.2090 7.2272 7.2272 7.4160 7.4160 7.4273 7.4273 7.4980 7.4980 7.5330 7.5330 8.0978 8.0978 8.1218 8.1218 9.0921 9.0921 9.1834 9.1834 9.5078 9.5078 9.5231 9.5231 10.2852 10.2852 10.3944 10.3944 10.4496 10.4496 10.5083 10.5083 k =-0.0259 0.5710 0.3060 ( 4422 PWs) bands (ev): 5.3016 5.3016 5.3302 5.3302 6.7221 6.7221 6.7376 6.7376 7.0725 7.0725 7.0755 7.0755 7.2010 7.2010 7.2371 7.2371 7.4128 7.4128 7.4351 7.4351 7.4818 7.4818 7.5508 7.5508 8.0867 8.0867 8.1345 8.1345 9.0395 9.0395 9.2201 9.2201 9.5066 9.5066 9.5372 9.5372 10.2139 10.2139 10.4230 10.4230 10.4411 10.4411 10.5598 10.5598 k =-0.0388 0.5666 0.3150 ( 4428 PWs) bands (ev): 5.3002 5.3002 5.3431 5.3431 6.7142 6.7142 6.7368 6.7368 7.0699 7.0699 7.0737 7.0737 7.1939 7.1939 7.2472 7.2472 7.4108 7.4108 7.4430 7.4430 7.4682 7.4682 7.5684 7.5684 8.0761 8.0761 8.1476 8.1476 8.9839 8.9839 9.2501 9.2501 9.5090 9.5090 9.5547 9.5547 10.1389 10.1389 10.4298 10.4298 10.4533 10.4533 10.6166 10.6166 k =-0.0517 0.5621 0.3240 ( 4438 PWs) bands (ev): 5.3010 5.3010 5.3582 5.3582 6.7050 6.7050 6.7343 6.7343 7.0662 7.0662 7.0710 7.0710 7.1877 7.1877 7.2572 7.2572 7.4099 7.4099 7.4443 7.4443 7.4644 7.4644 7.5857 7.5857 8.0663 8.0663 8.1609 8.1609 8.9266 8.9266 9.2739 9.2739 9.5143 9.5143 9.5738 9.5738 10.0629 10.0629 10.4333 10.4333 10.4718 10.4718 10.6721 10.6721 k =-0.0646 0.5576 0.3330 ( 4437 PWs) bands (ev): 5.3040 5.3040 5.3756 5.3756 6.6948 6.6948 6.7301 6.7301 7.0608 7.0608 7.0680 7.0680 7.1826 7.1826 7.2667 7.2667 7.4090 7.4090 7.4370 7.4370 7.4735 7.4735 7.6025 7.6025 8.0572 8.0572 8.1745 8.1745 8.8687 8.8687 9.2922 9.2922 9.5222 9.5222 9.5916 9.5916 9.9884 9.9884 10.4423 10.4423 10.4893 10.4893 10.7229 10.7229 k =-0.0776 0.5532 0.3420 ( 4444 PWs) bands (ev): 5.3091 5.3091 5.3952 5.3952 6.6838 6.6838 6.7243 6.7243 7.0530 7.0530 7.0653 7.0653 7.1786 7.1786 7.2751 7.2751 7.4071 7.4071 7.4315 7.4315 7.4863 7.4863 7.6185 7.6185 8.0490 8.0490 8.1880 8.1880 8.8112 8.8112 9.3056 9.3056 9.5320 9.5320 9.6047 9.6047 9.9188 9.9188 10.4577 10.4577 10.5058 10.5058 10.7672 10.7672 k =-0.0905 0.5487 0.3510 ( 4440 PWs) bands (ev): 5.3163 5.3163 5.4169 5.4169 6.6722 6.6722 6.7174 6.7174 7.0430 7.0430 7.0630 7.0630 7.1754 7.1754 7.2819 7.2819 7.4041 7.4041 7.4305 7.4305 7.5002 7.5002 7.6338 7.6338 8.0417 8.0417 8.2011 8.2011 8.7553 8.7553 9.3143 9.3143 9.5432 9.5432 9.6086 9.6086 9.8587 9.8587 10.4794 10.4794 10.5211 10.5211 10.8045 10.8045 k =-0.1034 0.5442 0.3600 ( 4446 PWs) bands (ev): 5.3255 5.3255 5.4406 5.4406 6.6603 6.6603 6.7094 6.7094 7.0306 7.0306 7.0609 7.0609 7.1729 7.1729 7.2864 7.2864 7.4021 7.4021 7.4325 7.4325 7.5148 7.5148 7.6481 7.6481 8.0354 8.0354 8.2132 8.2132 8.7020 8.7020 9.3174 9.3174 9.5551 9.5551 9.5986 9.5986 9.8147 9.8147 10.5069 10.5069 10.5351 10.5351 10.8352 10.8353 k =-0.1164 0.5397 0.3690 ( 4442 PWs) bands (ev): 5.3365 5.3365 5.4664 5.4664 6.6482 6.6482 6.7006 6.7006 7.0162 7.0162 7.0590 7.0590 7.1711 7.1711 7.2885 7.2885 7.4024 7.4024 7.4364 7.4364 7.5297 7.5297 7.6613 7.6613 8.0303 8.0303 8.2236 8.2236 8.6528 8.6528 9.3127 9.3127 9.5615 9.5615 9.5801 9.5801 9.7899 9.7899 10.5369 10.5369 10.5507 10.5507 10.8596 10.8597 k =-0.1293 0.5353 0.3780 ( 4438 PWs) bands (ev): 5.3493 5.3493 5.4941 5.4941 6.6361 6.6361 6.6914 6.6914 6.9997 6.9997 7.0575 7.0575 7.1698 7.1698 7.2885 7.2885 7.4048 7.4048 7.4414 7.4414 7.5444 7.5444 7.6733 7.6733 8.0263 8.0263 8.2309 8.2309 8.6095 8.6095 9.2964 9.2964 9.5380 9.5380 9.5861 9.5861 9.7802 9.7802 10.5529 10.5529 10.5832 10.5832 10.8757 10.8757 k =-0.1422 0.5308 0.3870 ( 4436 PWs) bands (ev): 5.3637 5.3637 5.5237 5.5237 6.6242 6.6242 6.6819 6.6819 6.9813 6.9813 7.0563 7.0563 7.1688 7.1688 7.2870 7.2870 7.4082 7.4082 7.4477 7.4477 7.5587 7.5587 7.6841 7.6841 8.0235 8.0235 8.2335 8.2335 8.5743 8.5743 9.2657 9.2657 9.5126 9.5126 9.5987 9.5987 9.7788 9.7788 10.5611 10.5611 10.6254 10.6254 10.8883 10.8883 k =-0.1551 0.5263 0.3960 ( 4429 PWs) bands (ev): 5.3796 5.3796 5.5549 5.5549 6.6126 6.6126 6.6723 6.6723 6.9612 6.9612 7.0555 7.0555 7.1683 7.1683 7.2849 7.2849 7.4116 7.4116 7.4552 7.4552 7.5723 7.5723 7.6935 7.6935 8.0219 8.0219 8.2297 8.2297 8.5493 8.5493 9.2213 9.2213 9.4957 9.4957 9.6112 9.6112 9.7816 9.7816 10.5666 10.5666 10.6714 10.6714 10.9019 10.9019 k =-0.1681 0.5219 0.4050 ( 4432 PWs) bands (ev): 5.3968 5.3968 5.5879 5.5879 6.6014 6.6014 6.6628 6.6628 6.9394 6.9394 7.0550 7.0550 7.1681 7.1681 7.2826 7.2826 7.4138 7.4138 7.4638 7.4638 7.5849 7.5849 7.7016 7.7016 8.0214 8.0214 8.2185 8.2185 8.5360 8.5360 9.1680 9.1680 9.4858 9.4858 9.6225 9.6225 9.7870 9.7870 10.5699 10.5699 10.7195 10.7195 10.9177 10.9177 k =-0.1810 0.5174 0.4140 ( 4434 PWs) bands (ev): 5.4149 5.4149 5.6223 5.6223 6.5908 6.5908 6.6535 6.6535 6.9164 6.9164 7.0549 7.0549 7.1683 7.1683 7.2806 7.2806 7.4146 7.4146 7.4733 7.4733 7.5961 7.5961 7.7081 7.7081 8.0218 8.0218 8.2008 8.2008 8.5341 8.5341 9.1107 9.1107 9.4795 9.4795 9.6321 9.6321 9.7944 9.7944 10.5714 10.5714 10.7686 10.7686 10.9364 10.9364 k =-0.1939 0.5129 0.4230 ( 4428 PWs) bands (ev): 5.4340 5.4340 5.6581 5.6581 6.5808 6.5808 6.6446 6.6446 6.8922 6.8922 7.0551 7.0551 7.1689 7.1689 7.2790 7.2790 7.4138 7.4138 7.4831 7.4831 7.6055 7.6055 7.7132 7.7132 8.0228 8.0228 8.1788 8.1788 8.5418 8.5418 9.0531 9.0531 9.4742 9.4742 9.6391 9.6391 9.8034 9.8034 10.5717 10.5717 10.8170 10.8170 10.9590 10.9590 k =-0.2068 0.5085 0.4320 ( 4432 PWs) bands (ev): 5.4535 5.4535 5.6952 5.6952 6.5716 6.5716 6.6362 6.6362 6.8671 6.8671 7.0558 7.0558 7.1701 7.1701 7.2780 7.2780 7.4117 7.4117 7.4926 7.4926 7.6129 7.6129 7.7167 7.7167 8.0241 8.0241 8.1551 8.1551 8.5570 8.5570 8.9977 8.9977 9.4683 9.4683 9.6430 9.6430 9.8139 9.8139 10.5714 10.5714 10.8625 10.8625 10.9871 10.9871 k =-0.2198 0.5040 0.4410 ( 4425 PWs) bands (ev): 5.4734 5.4734 5.7334 5.7334 6.5631 6.5631 6.6281 6.6281 6.8414 6.8414 7.0569 7.0569 7.1717 7.1717 7.2776 7.2776 7.4083 7.4083 7.5015 7.5015 7.6179 7.6179 7.7187 7.7187 8.0252 8.0252 8.1324 8.1324 8.5779 8.5779 8.9461 8.9461 9.4610 9.4610 9.6432 9.6432 9.8255 9.8255 10.5711 10.5711 10.9029 10.9029 11.0225 11.0225 k =-0.2327 0.4995 0.4500 ( 4421 PWs) bands (ev): 5.4932 5.4932 5.7726 5.7726 6.5555 6.5555 6.6206 6.6206 6.8154 6.8154 7.0585 7.0585 7.1741 7.1741 7.2777 7.2777 7.4038 7.4038 7.5094 7.5094 7.6200 7.6200 7.7191 7.7191 8.0255 8.0255 8.1125 8.1125 8.6029 8.6029 8.8997 8.8997 9.4519 9.4519 9.6390 9.6390 9.8376 9.8376 10.5714 10.5714 10.9370 10.9370 11.0626 11.0628 k =-0.2456 0.4950 0.4590 ( 4432 PWs) bands (ev): 5.5126 5.5126 5.8127 5.8127 6.5487 6.5487 6.6135 6.6135 6.7892 6.7892 7.0604 7.0604 7.1771 7.1771 7.2783 7.2783 7.3984 7.3984 7.5159 7.5159 7.6192 7.6192 7.7178 7.7178 8.0245 8.0245 8.0969 8.0969 8.6313 8.6313 8.8593 8.8593 9.4411 9.4411 9.6301 9.6301 9.8496 9.8496 10.5730 10.5730 10.9656 10.9656 11.0882 11.0882 k =-0.2586 0.4906 0.4680 ( 4432 PWs) bands (ev): 5.5313 5.5313 5.8534 5.8534 6.5428 6.5428 6.6068 6.6068 6.7631 6.7631 7.0628 7.0628 7.1808 7.1808 7.2793 7.2793 7.3923 7.3923 7.5209 7.5209 7.6155 7.6155 7.7147 7.7147 8.0222 8.0222 8.0861 8.0861 8.6623 8.6623 8.8257 8.8257 9.4286 9.4286 9.6161 9.6161 9.8607 9.8607 10.5763 10.5763 10.9904 10.9904 11.1130 11.1130 k =-0.2715 0.4861 0.4770 ( 4431 PWs) bands (ev): 5.5488 5.5488 5.8947 5.8947 6.5378 6.5378 6.6004 6.6004 6.7376 6.7376 7.0658 7.0658 7.1854 7.1854 7.2808 7.2808 7.3856 7.3856 7.5241 7.5241 7.6089 7.6089 7.7097 7.7097 8.0194 8.0194 8.0798 8.0798 8.6954 8.6954 8.7994 8.7994 9.4146 9.4146 9.5971 9.5971 9.8702 9.8702 10.5815 10.5815 11.0126 11.0126 11.1377 11.1377 k =-0.2844 0.4816 0.4861 ( 4433 PWs) bands (ev): 5.5648 5.5648 5.9365 5.9365 6.5338 6.5338 6.5942 6.5942 6.7127 6.7127 7.0692 7.0692 7.1909 7.1909 7.2827 7.2827 7.3784 7.3784 7.5255 7.5255 7.6001 7.6001 7.7027 7.7027 8.0170 8.0170 8.0770 8.0770 8.7304 8.7304 8.7804 8.7804 9.3993 9.3993 9.5732 9.5732 9.8774 9.8774 10.5887 10.5887 11.0327 11.0327 11.1622 11.1622 k =-0.2973 0.4772 0.4951 ( 4430 PWs) bands (ev): 5.5789 5.5789 5.9785 5.9785 6.5306 6.5306 6.5879 6.5879 6.6889 6.6889 7.0733 7.0733 7.1974 7.1974 7.2848 7.2848 7.3708 7.3708 7.5247 7.5247 7.5898 7.5898 7.6938 7.6938 8.0159 8.0159 8.0766 8.0766 8.7657 8.7657 8.7698 8.7698 9.3829 9.3829 9.5448 9.5448 9.8818 9.8818 10.5979 10.5979 11.0509 11.0509 11.1857 11.1857 k =-0.3103 0.4727 0.5041 ( 4438 PWs) bands (ev): 5.5907 5.5907 6.0207 6.0207 6.5282 6.5282 6.5815 6.5815 6.6664 6.6664 7.0780 7.0780 7.2046 7.2046 7.2872 7.2872 7.3627 7.3627 7.5214 7.5214 7.5792 7.5792 7.6832 7.6832 8.0166 8.0166 8.0781 8.0781 8.7634 8.7634 8.8049 8.8049 9.3658 9.3658 9.5125 9.5125 9.8828 9.8828 10.6087 10.6087 11.0671 11.0671 11.2075 11.2075 k =-0.3232 0.4682 0.5131 ( 4434 PWs) bands (ev): 5.5997 5.5997 6.0630 6.0630 6.5267 6.5267 6.5748 6.5748 6.6455 6.6455 7.0833 7.0833 7.2128 7.2128 7.2896 7.2896 7.3542 7.3542 7.5154 7.5154 7.5694 7.5694 7.6711 7.6711 8.0191 8.0191 8.0812 8.0812 8.7648 8.7648 8.8436 8.8436 9.3482 9.3482 9.4771 9.4771 9.8802 9.8802 10.6207 10.6207 11.0811 11.0811 11.2267 11.2267 k =-0.3361 0.4638 0.5221 ( 4432 PWs) bands (ev): 5.6058 5.6058 6.1052 6.1052 6.5258 6.5258 6.5676 6.5676 6.6265 6.6265 7.0894 7.0894 7.2217 7.2217 7.2919 7.2919 7.3453 7.3453 7.5068 7.5068 7.5613 7.5613 7.6581 7.6581 8.0232 8.0232 8.0857 8.0857 8.7717 8.7717 8.8831 8.8831 9.3302 9.3302 9.4393 9.4393 9.8739 9.8739 10.6334 10.6334 11.0929 11.0929 11.2422 11.2422 k =-0.3491 0.4593 0.5311 ( 4436 PWs) bands (ev): 5.6085 5.6085 6.1472 6.1472 6.5255 6.5255 6.5598 6.5598 6.6094 6.6094 7.0963 7.0963 7.2310 7.2310 7.2936 7.2936 7.3360 7.3360 7.4964 7.4964 7.5550 7.5550 7.6445 7.6445 8.0287 8.0287 8.0914 8.0914 8.7834 8.7834 8.9229 8.9229 9.3122 9.3122 9.4000 9.4000 9.8639 9.8639 10.6461 10.6461 11.1020 11.1020 11.2527 11.2527 k =-0.3620 0.4548 0.5401 ( 4440 PWs) bands (ev): 5.6078 5.6078 6.1889 6.1889 6.5256 6.5256 6.5515 6.5515 6.5945 6.5945 7.1039 7.1039 7.2403 7.2403 7.2940 7.2940 7.3269 7.3269 7.4858 7.4858 7.5500 7.5500 7.6308 7.6308 8.0354 8.0354 8.0982 8.0982 8.7993 8.7993 8.9627 8.9627 9.2943 9.2943 9.3604 9.3604 9.8505 9.8505 10.6581 10.6581 11.1084 11.1084 11.2570 11.2571 k =-0.3749 0.4503 0.5491 ( 4439 PWs) bands (ev): 5.6034 5.6034 6.2302 6.2302 6.5258 6.5258 6.5430 6.5430 6.5815 6.5815 7.1123 7.1123 7.2492 7.2492 7.2919 7.2919 7.3186 7.3186 7.4768 7.4768 7.5458 7.5458 7.6176 7.6176 8.0432 8.0432 8.1060 8.1060 8.8186 8.8186 9.0019 9.0019 9.2768 9.2768 9.3216 9.3216 9.8341 9.8341 10.6683 10.6683 11.1120 11.1120 11.2552 11.2552 k =-0.3878 0.4459 0.5581 ( 4433 PWs) bands (ev): 5.5954 5.5954 6.2710 6.2710 6.5255 6.5255 6.5350 6.5350 6.5706 6.5706 7.1211 7.1211 7.2569 7.2569 7.2863 7.2863 7.3121 7.3121 7.4711 7.4711 7.5420 7.5420 7.6050 7.6050 8.0517 8.0517 8.1147 8.1147 8.8406 8.8406 9.0393 9.0393 9.2599 9.2599 9.2853 9.2853 9.8152 9.8152 10.6757 10.6757 11.1127 11.1127 11.2519 11.2521 k =-0.4008 0.4414 0.5671 ( 4429 PWs) bands (ev): 5.5837 5.5837 6.3109 6.3109 6.5226 6.5226 6.5296 6.5296 6.5616 6.5616 7.1299 7.1299 7.2622 7.2622 7.2778 7.2778 7.3074 7.3074 7.4699 7.4699 7.5381 7.5381 7.5933 7.5933 8.0611 8.0611 8.1241 8.1241 8.8648 8.8648 9.0729 9.0729 9.2431 9.2431 9.2548 9.2548 9.7944 9.7944 10.6789 10.6789 11.1105 11.1105 11.2484 11.2485 k =-0.4137 0.4369 0.5761 ( 4423 PWs) bands (ev): 5.5685 5.5685 6.3495 6.3495 6.5167 6.5167 6.5271 6.5271 6.5551 6.5551 7.1382 7.1382 7.2625 7.2625 7.2688 7.2688 7.3050 7.3050 7.4738 7.4738 7.5338 7.5338 7.5825 7.5825 8.0710 8.0710 8.1342 8.1342 8.8904 8.8904 9.0979 9.0979 9.2261 9.2261 9.2360 9.2360 9.7724 9.7724 10.6765 10.6765 11.1056 11.1056 11.2437 11.2439 k =-0.4137 0.4369 0.5761 ( 4423 PWs) bands (ev): 5.5685 5.5685 6.3495 6.3495 6.5167 6.5167 6.5271 6.5271 6.5551 6.5551 7.1382 7.1382 7.2625 7.2625 7.2688 7.2688 7.3050 7.3050 7.4738 7.4738 7.5338 7.5338 7.5825 7.5825 8.0710 8.0710 8.1342 8.1342 8.8904 8.8904 9.0979 9.0979 9.2261 9.2261 9.2360 9.2360 9.7724 9.7724 10.6765 10.6765 11.1056 11.1056 11.2440 11.2441 k =-0.4215 0.4232 0.5761 ( 4423 PWs) bands (ev): 5.5436 5.5436 6.4049 6.4049 6.5079 6.5079 6.5228 6.5228 6.5482 6.5482 7.1500 7.1500 7.2550 7.2550 7.2581 7.2581 7.3056 7.3056 7.4831 7.4831 7.5266 7.5266 7.5668 7.5668 8.0862 8.0862 8.1496 8.1496 8.9295 8.9295 9.1248 9.1248 9.2043 9.2043 9.2184 9.2184 9.7409 9.7409 10.6684 10.6684 11.0945 11.0945 11.2339 11.2342 k =-0.4294 0.4095 0.5761 ( 4416 PWs) bands (ev): 5.5209 5.5209 6.4555 6.4555 6.5001 6.5001 6.5181 6.5181 6.5427 6.5427 7.1620 7.1620 7.2465 7.2465 7.2485 7.2485 7.3082 7.3082 7.4917 7.4917 7.5198 7.5198 7.5513 7.5513 8.1003 8.1003 8.1638 8.1638 8.9662 8.9662 9.1485 9.1485 9.1842 9.1842 9.2052 9.2052 9.7148 9.7148 10.6612 10.6612 11.0811 11.0811 11.2166 11.2191 k =-0.4372 0.3958 0.5761 ( 4408 PWs) bands (ev): 5.5004 5.5004 6.4917 6.4917 6.5026 6.5026 6.5131 6.5131 6.5384 6.5384 7.1738 7.1738 7.2383 7.2383 7.2401 7.2401 7.3116 7.3116 7.4996 7.4996 7.5133 7.5133 7.5362 7.5362 8.1132 8.1132 8.1767 8.1767 8.9997 8.9997 9.1612 9.1612 9.1661 9.1661 9.2041 9.2041 9.6944 9.6944 10.6548 10.6548 11.0658 11.0658 11.2001 11.2026 k =-0.4451 0.3821 0.5761 ( 4408 PWs) bands (ev): 5.4823 5.4823 6.4863 6.4863 6.5081 6.5081 6.5348 6.5348 6.5427 6.5427 7.1846 7.1846 7.2308 7.2308 7.2337 7.2337 7.3149 7.3149 7.5056 7.5056 7.5084 7.5084 7.5216 7.5216 8.1247 8.1247 8.1882 8.1882 9.0291 9.0291 9.1499 9.1499 9.1572 9.1572 9.2201 9.2201 9.6796 9.6796 10.6492 10.6492 11.0492 11.0492 11.1795 11.1795 k =-0.4529 0.3684 0.5761 ( 4408 PWs) bands (ev): 5.4664 5.4664 6.4810 6.4810 6.5035 6.5035 6.5322 6.5322 6.5781 6.5781 7.1931 7.1931 7.2240 7.2240 7.2308 7.2308 7.3177 7.3177 7.5017 7.5017 7.5079 7.5079 7.5132 7.5132 8.1347 8.1347 8.1983 8.1983 9.0541 9.0541 9.1358 9.1358 9.1481 9.1481 9.2414 9.2414 9.6701 9.6701 10.6444 10.6444 11.0320 11.0320 11.1442 11.1442 k =-0.4608 0.3547 0.5761 ( 4408 PWs) bands (ev): 5.4530 5.4530 6.4765 6.4765 6.4995 6.4995 6.5299 6.5299 6.6083 6.6083 7.1972 7.1972 7.2182 7.2182 7.2330 7.2330 7.3196 7.3196 7.4952 7.4952 7.4971 7.4971 7.5184 7.5184 8.1433 8.1433 8.2069 8.2069 9.0744 9.0744 9.1239 9.1239 9.1391 9.1391 9.2621 9.2621 9.6654 9.6654 10.6405 10.6405 11.0152 11.0152 11.1089 11.1089 k =-0.4686 0.3409 0.5761 ( 4404 PWs) bands (ev): 5.4420 5.4420 6.4728 6.4728 6.4961 6.4961 6.5281 6.5281 6.6332 6.6332 7.1972 7.1972 7.2135 7.2135 7.2399 7.2399 7.3204 7.3204 7.4842 7.4842 7.4933 7.4933 7.5227 7.5227 8.1504 8.1504 8.2140 8.2140 9.0901 9.0901 9.1141 9.1141 9.1314 9.1314 9.2805 9.2805 9.6642 9.6642 10.6374 10.6374 10.9997 10.9997 11.0776 11.0776 k =-0.4765 0.3272 0.5761 ( 4396 PWs) bands (ev): 5.4334 5.4334 6.4699 6.4699 6.4934 6.4934 6.5268 6.5268 6.6526 6.6526 7.1956 7.1956 7.2098 7.2098 7.2485 7.2485 7.3202 7.3202 7.4750 7.4750 7.4902 7.4902 7.5261 7.5261 8.1559 8.1559 8.2194 8.2194 9.1015 9.1015 9.1065 9.1065 9.1253 9.1253 9.2957 9.2957 9.6653 9.6653 10.6350 10.6350 10.9864 10.9864 11.0520 11.0520 k =-0.4843 0.3135 0.5761 ( 4396 PWs) bands (ev): 5.4272 5.4272 6.4679 6.4679 6.4915 6.4915 6.5258 6.5258 6.6665 6.6665 7.1938 7.1938 7.2071 7.2071 7.2566 7.2566 7.3190 7.3190 7.4681 7.4681 7.4880 7.4880 7.5286 7.5286 8.1599 8.1599 8.2234 8.2234 9.1011 9.1011 9.1091 9.1091 9.1208 9.1208 9.3071 9.3071 9.6674 9.6674 10.6334 10.6334 10.9762 10.9762 11.0330 11.0330 k =-0.4922 0.2998 0.5761 ( 4400 PWs) bands (ev): 5.4235 5.4235 6.4667 6.4667 6.4903 6.4903 6.5252 6.5252 6.6748 6.6748 7.1926 7.1926 7.2055 7.2055 7.2625 7.2625 7.3176 7.3176 7.4639 7.4639 7.4866 7.4866 7.5300 7.5300 8.1623 8.1623 8.2257 8.2257 9.0978 9.0978 9.1134 9.1134 9.1182 9.1182 9.3141 9.3141 9.6692 9.6692 10.6325 10.6325 10.9697 10.9697 11.0213 11.0213 k =-0.5000 0.2861 0.5761 ( 4408 PWs) bands (ev): 5.4223 5.4223 6.4662 6.4662 6.4899 6.4899 6.5250 6.5250 6.6776 6.6776 7.1921 7.1921 7.2049 7.2049 7.2646 7.2646 7.3169 7.3169 7.4624 7.4624 7.4862 7.4862 7.5305 7.5305 8.1630 8.1630 8.2265 8.2265 9.0967 9.0967 9.1148 9.1148 9.1173 9.1173 9.3165 9.3165 9.6699 9.6699 10.6321 10.6321 10.9675 10.9675 11.0174 11.0174 k = 0.0000 0.0000 0.5761 ( 4440 PWs) bands (ev): 4.4992 4.4992 5.7340 5.7340 6.4250 6.4250 6.4577 6.4577 6.6761 6.6761 6.8628 6.8628 7.0371 7.0371 7.3730 7.3730 7.4739 7.4739 7.6202 7.6202 8.2001 8.2001 8.2794 8.2794 8.5625 8.5625 8.8363 8.8363 8.8647 8.8647 8.9812 8.9812 9.1923 9.1923 9.3119 9.3119 9.9785 9.9785 10.1319 10.1319 10.1959 10.1959 10.2167 10.2167 k = 0.0083 0.0146 0.5761 ( 4434 PWs) bands (ev): 4.5005 4.5005 5.7352 5.7352 6.4255 6.4255 6.4587 6.4587 6.6686 6.6686 6.8701 6.8701 7.0377 7.0377 7.3705 7.3705 7.4750 7.4750 7.6212 7.6212 8.1987 8.1987 8.2774 8.2774 8.5633 8.5633 8.8336 8.8336 8.8640 8.8640 8.9817 8.9817 9.1928 9.1928 9.3107 9.3107 9.9847 9.9847 10.1301 10.1301 10.1607 10.1607 10.2505 10.2505 k = 0.0167 0.0291 0.5761 ( 4434 PWs) bands (ev): 4.5042 4.5042 5.7387 5.7387 6.4268 6.4268 6.4616 6.4616 6.6488 6.6488 6.8892 6.8892 7.0395 7.0395 7.3636 7.3636 7.4778 7.4778 7.6240 7.6240 8.1944 8.1944 8.2716 8.2716 8.5654 8.5654 8.8214 8.8214 8.8661 8.8661 8.9832 8.9832 9.1943 9.1943 9.3076 9.3076 10.0026 10.0026 10.1058 10.1058 10.1357 10.1357 10.2902 10.2902 k = 0.0250 0.0437 0.5761 ( 4438 PWs) bands (ev): 4.5104 4.5104 5.7445 5.7445 6.4288 6.4288 6.4664 6.4664 6.6217 6.6217 6.9151 6.9151 7.0425 7.0425 7.3532 7.3532 7.4814 7.4814 7.6286 7.6286 8.1873 8.1873 8.2623 8.2623 8.5686 8.5686 8.7961 8.7961 8.8749 8.8749 8.9858 8.9858 9.1969 9.1969 9.3039 9.3039 10.0283 10.0283 10.0587 10.0587 10.1320 10.1320 10.3274 10.3274 k = 0.0333 0.0583 0.5761 ( 4446 PWs) bands (ev): 4.5190 4.5190 5.7527 5.7527 6.4314 6.4314 6.4730 6.4730 6.5908 6.5908 6.9445 6.9445 7.0467 7.0467 7.3404 7.3404 7.4847 7.4847 7.6348 7.6348 8.1773 8.1773 8.2502 8.2502 8.5722 8.5722 8.7595 8.7595 8.8892 8.8892 8.9895 8.9895 9.2008 9.2008 9.3010 9.3010 10.0010 10.0010 10.0682 10.0682 10.1291 10.1291 10.3618 10.3618 k = 0.0417 0.0728 0.5761 ( 4446 PWs) bands (ev): 4.5301 4.5301 5.7632 5.7632 6.4342 6.4342 6.4811 6.4811 6.5585 6.5585 6.9754 6.9754 7.0524 7.0524 7.3262 7.3262 7.4873 7.4873 7.6426 7.6426 8.1644 8.1644 8.2357 8.2357 8.5758 8.5758 8.7136 8.7136 8.9079 8.9079 8.9944 8.9944 9.2060 9.2060 9.3001 9.3001 9.9466 9.9466 10.1063 10.1063 10.1274 10.1274 10.3933 10.3933 k = 0.0500 0.0874 0.5761 ( 4462 PWs) bands (ev): 4.5436 4.5436 5.7760 5.7760 6.4361 6.4361 6.4894 6.4894 6.5282 6.5282 7.0063 7.0063 7.0596 7.0596 7.3111 7.3111 7.4889 7.4889 7.6515 7.6515 8.1487 8.1487 8.2193 8.2193 8.5786 8.5786 8.6600 8.6600 8.9304 8.9304 9.0005 9.0005 9.2127 9.2127 9.3015 9.3015 9.8907 9.8907 10.1177 10.1177 10.1550 10.1550 10.4219 10.4219 k = 0.0583 0.1020 0.5761 ( 4462 PWs) bands (ev): 4.5596 4.5596 5.7912 5.7912 6.4332 6.4332 6.4880 6.4880 6.5140 6.5140 7.0358 7.0358 7.0694 7.0694 7.2956 7.2956 7.4896 7.4896 7.6613 7.6613 8.1303 8.1303 8.2013 8.2013 8.5798 8.5798 8.6008 8.6008 8.9560 8.9560 9.0079 9.0079 9.2210 9.2210 9.3056 9.3056 9.8347 9.8347 10.1124 10.1124 10.1991 10.1991 10.4477 10.4477 k = 0.0667 0.1165 0.5761 ( 4444 PWs) bands (ev): 4.5779 4.5779 5.8087 5.8087 6.4169 6.4169 6.4785 6.4785 6.5234 6.5234 7.0600 7.0600 7.0851 7.0851 7.2801 7.2801 7.4894 7.4894 7.6716 7.6716 8.1096 8.1096 8.1820 8.1820 8.5359 8.5359 8.5801 8.5801 8.9843 8.9843 9.0166 9.0166 9.2307 9.2307 9.3122 9.3122 9.7800 9.7800 10.1050 10.1050 10.2437 10.2437 10.4705 10.4705 k = 0.0750 0.1311 0.5761 ( 4440 PWs) bands (ev): 4.5985 4.5985 5.8284 5.8284 6.3870 6.3870 6.4790 6.4790 6.5384 6.5384 7.0759 7.0759 7.1088 7.1088 7.2650 7.2650 7.4886 7.4886 7.6820 7.6820 8.0867 8.0867 8.1615 8.1615 8.4686 8.4686 8.5766 8.5766 9.0144 9.0144 9.0269 9.0269 9.2421 9.2421 9.3214 9.3214 9.7280 9.7280 10.0959 10.0959 10.2867 10.2867 10.4904 10.4904 k = 0.0833 0.1456 0.5761 ( 4436 PWs) bands (ev): 4.6214 4.6214 5.8504 5.8504 6.3512 6.3512 6.4848 6.4848 6.5557 6.5557 7.0885 7.0885 7.1352 7.1352 7.2508 7.2508 7.4876 7.4876 7.6923 7.6923 8.0621 8.0621 8.1397 8.1397 8.3990 8.3990 8.5694 8.5694 9.0375 9.0375 9.0469 9.0469 9.2549 9.2549 9.3329 9.3329 9.6804 9.6804 10.0851 10.0851 10.3270 10.3270 10.5073 10.5073 k = 0.0917 0.1602 0.5761 ( 4436 PWs) bands (ev): 4.6465 4.6465 5.8746 5.8746 6.3132 6.3132 6.4931 6.4931 6.5747 6.5747 7.1008 7.1008 7.1601 7.1601 7.2382 7.2382 7.4867 7.4867 7.7023 7.7023 8.0362 8.0362 8.1166 8.1166 8.3281 8.3281 8.5575 8.5575 9.0508 9.0508 9.0787 9.0787 9.2692 9.2692 9.3468 9.3468 9.6391 9.6391 10.0724 10.0724 10.3637 10.3637 10.5213 10.5213 k = 0.1000 0.1748 0.5761 ( 4438 PWs) bands (ev): 4.6739 4.6739 5.9010 5.9010 6.2738 6.2738 6.5027 6.5027 6.5954 6.5954 7.1134 7.1134 7.1799 7.1799 7.2299 7.2299 7.4864 7.4864 7.7115 7.7115 8.0093 8.0093 8.0922 8.0922 8.2566 8.2566 8.5397 8.5397 9.0652 9.0652 9.1105 9.1105 9.2850 9.2850 9.3629 9.3629 9.6061 9.6061 10.0579 10.0579 10.3961 10.3961 10.5325 10.5325 k = 0.1083 0.1893 0.5761 ( 4430 PWs) bands (ev): 4.7034 4.7034 5.9296 5.9296 6.2336 6.2336 6.5132 6.5132 6.6176 6.6176 7.1263 7.1263 7.1884 7.1884 7.2316 7.2316 7.4873 7.4873 7.7200 7.7200 7.9818 7.9818 8.0665 8.0665 8.1854 8.1854 8.5154 8.5154 9.0811 9.0811 9.1412 9.1412 9.3020 9.3020 9.3811 9.3811 9.5830 9.5830 10.0414 10.0414 10.4236 10.4236 10.5409 10.5409 k = 0.1167 0.2039 0.5761 ( 4416 PWs) bands (ev): 4.7349 4.7349 5.9601 5.9601 6.1926 6.1926 6.5244 6.5244 6.6413 6.6413 7.1386 7.1386 7.1860 7.1860 7.2433 7.2433 7.4900 7.4900 7.7273 7.7273 7.9542 7.9542 8.0393 8.0393 8.1152 8.1152 8.4840 8.4840 9.0984 9.0984 9.1701 9.1701 9.3203 9.3203 9.4014 9.4014 9.5711 9.5711 10.0229 10.0229 10.4457 10.4457 10.5468 10.5468 k = 0.1250 0.2185 0.5761 ( 4428 PWs) bands (ev): 4.7684 4.7684 5.9926 5.9926 6.1510 6.1510 6.5360 6.5360 6.6661 6.6661 7.1481 7.1481 7.1830 7.1830 7.2563 7.2563 7.4950 7.4950 7.7332 7.7332 7.9267 7.9267 8.0084 8.0084 8.0486 8.0486 8.4454 8.4454 9.1172 9.1172 9.1970 9.1970 9.3399 9.3399 9.4236 9.4236 9.5705 9.5705 10.0025 10.0025 10.4623 10.4623 10.5506 10.5506 k = 0.1333 0.2330 0.5761 ( 4428 PWs) bands (ev): 4.8039 4.8039 6.0266 6.0266 6.1091 6.1091 6.5479 6.5479 6.6921 6.6921 7.1504 7.1504 7.1872 7.1872 7.2669 7.2669 7.5028 7.5028 7.7374 7.7374 7.8998 7.8998 7.9634 7.9634 7.9969 7.9969 8.4002 8.4002 9.1374 9.1374 9.2223 9.2223 9.3609 9.3609 9.4476 9.4476 9.5800 9.5800 9.9803 9.9803 10.4733 10.4733 10.5529 10.5529 k = 0.1417 0.2476 0.5761 ( 4436 PWs) bands (ev): 4.8412 4.8412 6.0548 6.0548 6.0740 6.0740 6.5598 6.5598 6.7193 6.7193 7.1465 7.1465 7.1982 7.1982 7.2746 7.2746 7.5133 7.5133 7.7392 7.7392 7.8737 7.8737 7.9025 7.9025 7.9628 7.9628 8.3491 8.3491 9.1590 9.1590 9.2466 9.2466 9.3834 9.3834 9.4733 9.4733 9.5976 9.5976 9.9562 9.9562 10.4787 10.4787 10.5543 10.5543 k = 0.1500 0.2622 0.5761 ( 4440 PWs) bands (ev): 4.8802 4.8802 6.0198 6.0198 6.1030 6.1030 6.5715 6.5715 6.7474 6.7474 7.1409 7.1409 7.2108 7.2108 7.2801 7.2801 7.5264 7.5264 7.7379 7.7379 7.8356 7.8356 7.8540 7.8540 7.9322 7.9322 8.2934 8.2934 9.1820 9.1820 9.2710 9.2710 9.4075 9.4075 9.5005 9.5005 9.6204 9.6204 9.9304 9.9304 10.4786 10.4786 10.5557 10.5557 k = 0.1583 0.2767 0.5761 ( 4438 PWs) bands (ev): 4.9209 4.9209 5.9758 5.9758 6.1417 6.1417 6.5827 6.5827 6.7764 6.7764 7.1358 7.1358 7.2215 7.2215 7.2856 7.2856 7.5414 7.5414 7.7310 7.7310 7.7771 7.7771 7.8325 7.8325 7.9023 7.9023 8.2344 8.2344 9.2063 9.2063 9.2962 9.2962 9.4332 9.4332 9.5290 9.5290 9.6458 9.6458 9.9030 9.9030 10.4733 10.4733 10.5583 10.5583 k = 0.1667 0.2913 0.5761 ( 4434 PWs) bands (ev): 4.9632 4.9632 5.9306 5.9306 6.1819 6.1819 6.5931 6.5931 6.8062 6.8062 7.1318 7.1318 7.2274 7.2274 7.2942 7.2942 7.5575 7.5575 7.7040 7.7040 7.7355 7.7355 7.8162 7.8162 7.8728 7.8728 8.1735 8.1735 9.2318 9.2318 9.3228 9.3228 9.4604 9.4604 9.5583 9.5583 9.6711 9.6711 9.8742 9.8742 10.4630 10.4630 10.5629 10.5629 k = 0.1750 0.3059 0.5761 ( 4430 PWs) bands (ev): 5.0068 5.0068 5.8846 5.8846 6.2231 6.2231 6.6024 6.6024 6.8366 6.8366 7.1292 7.1292 7.2270 7.2270 7.3073 7.3073 7.5735 7.5735 7.6523 7.6523 7.7178 7.7178 7.8032 7.8032 7.8444 7.8444 8.1121 8.1121 9.2585 9.2585 9.3509 9.3509 9.4889 9.4889 9.5882 9.5882 9.6940 9.6940 9.8441 9.8441 10.4484 10.4484 10.5649 10.5649 k = 0.1833 0.3204 0.5761 ( 4434 PWs) bands (ev): 5.0518 5.0518 5.8379 5.8379 6.2648 6.2648 6.6100 6.6100 6.8676 6.8676 7.1282 7.1282 7.2216 7.2216 7.3239 7.3239 7.5816 7.5816 7.6071 7.6071 7.7018 7.7018 7.7901 7.7901 7.8196 7.8196 8.0516 8.0516 9.2864 9.2864 9.3805 9.3805 9.5186 9.5186 9.6181 9.6181 9.7125 9.7125 9.8130 9.8130 10.4299 10.4299 10.5245 10.5245 k = 0.1917 0.3350 0.5761 ( 4434 PWs) bands (ev): 5.0980 5.0980 5.7904 5.7904 6.3066 6.3066 6.6156 6.6156 6.8990 6.8990 7.1291 7.1291 7.2128 7.2128 7.3420 7.3420 7.5432 7.5432 7.6110 7.6110 7.6858 7.6858 7.7708 7.7708 7.8032 7.8032 7.9930 7.9930 9.3153 9.3153 9.4115 9.4115 9.5491 9.5491 9.6474 9.6474 9.7254 9.7254 9.7811 9.7811 10.4082 10.4082 10.4731 10.4731 k = 0.2000 0.3495 0.5761 ( 4442 PWs) bands (ev): 5.1452 5.1452 5.7422 5.7422 6.3481 6.3481 6.6186 6.6186 6.9305 6.9305 7.1318 7.1318 7.2021 7.2021 7.3585 7.3585 7.4994 7.4994 7.6243 7.6243 7.6706 7.6706 7.7467 7.7467 7.7937 7.7937 7.9379 7.9379 9.3452 9.3452 9.4435 9.4435 9.5800 9.5800 9.6749 9.6749 9.7316 9.7316 9.7488 9.7488 10.3839 10.3839 10.4249 10.4249 k = 0.2083 0.3641 0.5761 ( 4440 PWs) bands (ev): 5.1934 5.1934 5.6933 5.6933 6.3886 6.3886 6.6185 6.6185 6.9619 6.9619 7.1362 7.1362 7.1905 7.1905 7.3669 7.3669 7.4670 7.4670 7.6349 7.6349 7.6574 7.6574 7.7231 7.7231 7.7865 7.7865 7.8875 7.8875 9.3760 9.3760 9.4763 9.4763 9.6106 9.6106 9.6972 9.6972 9.7186 9.7186 9.7312 9.7312 10.3577 10.3577 10.3824 10.3824 k = 0.2167 0.3787 0.5761 ( 4440 PWs) bands (ev): 5.2423 5.2423 5.6440 5.6440 6.4276 6.4276 6.6148 6.6148 6.9929 6.9929 7.1414 7.1414 7.1799 7.1799 7.3546 7.3546 7.4587 7.4587 7.6335 7.6335 7.6520 7.6520 7.7047 7.7047 7.7796 7.7796 7.8434 7.8434 9.4076 9.4076 9.5094 9.5094 9.6391 9.6391 9.6803 9.6803 9.7232 9.7232 9.7257 9.7257 10.3301 10.3301 10.3473 10.3473 k = 0.2250 0.3932 0.5761 ( 4442 PWs) bands (ev): 5.2918 5.2918 5.5941 5.5941 6.4644 6.4644 6.6070 6.6070 7.0228 7.0228 7.1422 7.1422 7.1758 7.1758 7.3250 7.3250 7.4717 7.4717 7.6170 7.6170 7.6545 7.6545 7.6943 7.6943 7.7725 7.7725 7.8076 7.8076 9.4400 9.4400 9.5421 9.5421 9.6419 9.6419 9.6704 9.6704 9.7135 9.7135 9.7398 9.7398 10.3042 10.3042 10.3197 10.3197 k = 0.2333 0.4078 0.5761 ( 4440 PWs) bands (ev): 5.3418 5.3418 5.5439 5.5439 6.4983 6.4983 6.5947 6.5947 7.0509 7.0509 7.1329 7.1329 7.1848 7.1848 7.2907 7.2907 7.4931 7.4931 7.5946 7.5946 7.6575 7.6575 7.6887 7.6887 7.7654 7.7654 7.7827 7.7827 9.4729 9.4729 9.5729 9.5729 9.6115 9.6115 9.6777 9.6777 9.7112 9.7112 9.7486 9.7486 10.2848 10.2848 10.2978 10.2978 k = 0.2417 0.4224 0.5761 ( 4448 PWs) bands (ev): 5.3922 5.3922 5.4935 5.4935 6.5286 6.5286 6.5777 6.5777 7.0763 7.0763 7.1173 7.1173 7.2032 7.2032 7.2574 7.2574 7.5177 7.5177 7.5695 7.5695 7.6631 7.6631 7.6815 7.6815 7.7606 7.7606 7.7688 7.7688 9.5062 9.5062 9.5724 9.5724 9.6091 9.6091 9.6608 9.6608 9.7262 9.7262 9.7494 9.7494 10.2745 10.2745 10.2818 10.2818 k = 0.2500 0.4369 0.5761 ( 4448 PWs) bands (ev): 5.4427 5.4427 5.4429 5.4429 6.5547 6.5547 6.5562 6.5562 7.0982 7.0982 7.0987 7.0987 7.2276 7.2276 7.2280 7.2280 7.5434 7.5434 7.5437 7.5437 7.6716 7.6716 7.6721 7.6721 7.7616 7.7616 7.7620 7.7620 9.5396 9.5396 9.5402 9.5402 9.6357 9.6357 9.6363 9.6363 9.7402 9.7402 9.7422 9.7422 10.2730 10.2730 10.2742 10.2742 Writing output data file Zr2Ni.save init_run : 0.23s CPU 0.34s WALL ( 1 calls) electrons : 233.14s CPU 236.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 233.14s CPU 236.33s 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 : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 316 calls) cegterg : 211.14s CPU 213.76s WALL ( 719 calls) Called by sum_band: Called by *egterg: h_psi : 135.90s CPU 137.84s WALL ( 12465 calls) s_psi : 4.93s CPU 5.08s WALL ( 12465 calls) g_psi : 0.36s CPU 0.36s WALL ( 11430 calls) cdiaghg : 67.02s CPU 67.78s WALL ( 11746 calls) cegterg:over : 7.41s CPU 7.57s WALL ( 11430 calls) cegterg:upda : 7.08s CPU 7.02s WALL ( 11430 calls) cegterg:last : 3.61s CPU 3.73s WALL ( 1980 calls) cdiaghg:chol : 3.69s CPU 3.77s WALL ( 11746 calls) cdiaghg:inve : 2.28s CPU 2.21s WALL ( 11746 calls) cdiaghg:para : 3.88s CPU 3.85s WALL ( 23492 calls) Called by h_psi: h_psi:vloc : 120.69s CPU 122.42s WALL ( 12465 calls) h_psi:vnl : 14.86s CPU 15.07s WALL ( 12465 calls) add_vuspsi : 7.20s CPU 7.28s WALL ( 12465 calls) General routines calbec : 7.65s CPU 7.76s WALL ( 12465 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 114.09s CPU 115.87s WALL ( 1110200 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.20s WALL ( 632 calls) Parallel routines fft_scatter : 35.42s CPU 36.61s WALL ( 1110223 calls) PWSCF : 4m 6.83s CPU 4m25.14s WALL This run was terminated on: 21: 4:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=