Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:26:30 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H6C2SeO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 22 6 1881 810 123 Max 40 23 7 1889 831 129 Sum 2843 1631 459 135625 59107 8997 bravais-lattice index = 14 lattice parameter (alat) = 9.4097 a.u. unit-cell volume = 1358.0410 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 4 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.409702 celldm(2)= 1.234486 celldm(3)= 1.383801 celldm(4)= -0.289867 celldm(5)= -0.003089 celldm(6)= -0.073464 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.090691 1.231150 0.000000 ) a(3) = ( -0.004275 -0.402520 1.323958 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.073664 0.025625 ) b(2) = ( 0.000000 0.812249 0.246946 ) b(3) = ( 0.000000 0.000000 0.755311 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Se 6.00 78.96000 Se( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 246 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.4061243 -0.1234731), wk = 0.0040650 k( 2) = ( 0.0000000 -0.3910826 -0.1189000), wk = 0.0040650 k( 3) = ( 0.0000000 -0.3760410 -0.1143269), wk = 0.0040650 k( 4) = ( 0.0000000 -0.3609993 -0.1097539), wk = 0.0040650 k( 5) = ( 0.0000000 -0.3459577 -0.1051808), wk = 0.0040650 k( 6) = ( 0.0000000 -0.3309161 -0.1006077), wk = 0.0040650 k( 7) = ( 0.0000000 -0.3158744 -0.0960346), wk = 0.0040650 k( 8) = ( 0.0000000 -0.3008328 -0.0914616), wk = 0.0040650 k( 9) = ( 0.0000000 -0.2857911 -0.0868885), wk = 0.0040650 k( 10) = ( 0.0000000 -0.2707495 -0.0823154), wk = 0.0040650 k( 11) = ( 0.0000000 -0.2557079 -0.0777423), wk = 0.0040650 k( 12) = ( 0.0000000 -0.2406662 -0.0731692), wk = 0.0040650 k( 13) = ( 0.0000000 -0.2256246 -0.0685962), wk = 0.0040650 k( 14) = ( 0.0000000 -0.2105829 -0.0640231), wk = 0.0040650 k( 15) = ( 0.0000000 -0.1955413 -0.0594500), wk = 0.0040650 k( 16) = ( 0.0000000 -0.1804997 -0.0548769), wk = 0.0040650 k( 17) = ( 0.0000000 -0.1654580 -0.0503039), wk = 0.0040650 k( 18) = ( 0.0000000 -0.1504164 -0.0457308), wk = 0.0040650 k( 19) = ( 0.0000000 -0.1353748 -0.0411577), wk = 0.0040650 k( 20) = ( 0.0000000 -0.1203331 -0.0365846), wk = 0.0040650 k( 21) = ( 0.0000000 -0.1052915 -0.0320115), wk = 0.0040650 k( 22) = ( 0.0000000 -0.0902498 -0.0274385), wk = 0.0040650 k( 23) = ( 0.0000000 -0.0752082 -0.0228654), wk = 0.0040650 k( 24) = ( 0.0000000 -0.0601666 -0.0182923), wk = 0.0040650 k( 25) = ( 0.0000000 -0.0451249 -0.0137192), wk = 0.0040650 k( 26) = ( 0.0000000 -0.0300833 -0.0091462), wk = 0.0040650 k( 27) = ( 0.0000000 -0.0150416 -0.0045731), wk = 0.0040650 k( 28) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 29) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 30) = ( 0.0156250 0.0011510 0.0004004), wk = 0.0040650 k( 31) = ( 0.0312500 0.0023020 0.0008008), wk = 0.0040650 k( 32) = ( 0.0468750 0.0034530 0.0012012), wk = 0.0040650 k( 33) = ( 0.0625000 0.0046040 0.0016015), wk = 0.0040650 k( 34) = ( 0.0781250 0.0057550 0.0020019), wk = 0.0040650 k( 35) = ( 0.0937500 0.0069060 0.0024023), wk = 0.0040650 k( 36) = ( 0.1093750 0.0080569 0.0028027), wk = 0.0040650 k( 37) = ( 0.1250000 0.0092079 0.0032031), wk = 0.0040650 k( 38) = ( 0.1406250 0.0103589 0.0036035), wk = 0.0040650 k( 39) = ( 0.1562500 0.0115099 0.0040038), wk = 0.0040650 k( 40) = ( 0.1718750 0.0126609 0.0044042), wk = 0.0040650 k( 41) = ( 0.1875000 0.0138119 0.0048046), wk = 0.0040650 k( 42) = ( 0.2031250 0.0149629 0.0052050), wk = 0.0040650 k( 43) = ( 0.2187500 0.0161139 0.0056054), wk = 0.0040650 k( 44) = ( 0.2343750 0.0172649 0.0060058), wk = 0.0040650 k( 45) = ( 0.2500000 0.0184159 0.0064062), wk = 0.0040650 k( 46) = ( 0.2656250 0.0195669 0.0068065), wk = 0.0040650 k( 47) = ( 0.2812500 0.0207179 0.0072069), wk = 0.0040650 k( 48) = ( 0.2968750 0.0218689 0.0076073), wk = 0.0040650 k( 49) = ( 0.3125000 0.0230199 0.0080077), wk = 0.0040650 k( 50) = ( 0.3281250 0.0241708 0.0084081), wk = 0.0040650 k( 51) = ( 0.3437500 0.0253218 0.0088085), wk = 0.0040650 k( 52) = ( 0.3593750 0.0264728 0.0092089), wk = 0.0040650 k( 53) = ( 0.3750000 0.0276238 0.0096092), wk = 0.0040650 k( 54) = ( 0.3906250 0.0287748 0.0100096), wk = 0.0040650 k( 55) = ( 0.4062500 0.0299258 0.0104100), wk = 0.0040650 k( 56) = ( 0.4218750 0.0310768 0.0108104), wk = 0.0040650 k( 57) = ( 0.4375000 0.0322278 0.0112108), wk = 0.0040650 k( 58) = ( 0.4531250 0.0333788 0.0116112), wk = 0.0040650 k( 59) = ( 0.4687500 0.0345298 0.0120115), wk = 0.0040650 k( 60) = ( 0.4843750 0.0356808 0.0124119), wk = 0.0040650 k( 61) = ( 0.5000000 0.0368318 0.0128123), wk = 0.0040650 k( 62) = ( 0.5000000 -0.3692925 -0.1106608), wk = 0.0040650 k( 63) = ( 0.4875000 -0.3600602 -0.1078943), wk = 0.0040650 k( 64) = ( 0.4750000 -0.3508279 -0.1051277), wk = 0.0040650 k( 65) = ( 0.4625000 -0.3415956 -0.1023612), wk = 0.0040650 k( 66) = ( 0.4500000 -0.3323632 -0.0995947), wk = 0.0040650 k( 67) = ( 0.4375000 -0.3231309 -0.0968282), wk = 0.0040650 k( 68) = ( 0.4250000 -0.3138986 -0.0940617), wk = 0.0040650 k( 69) = ( 0.4125000 -0.3046663 -0.0912951), wk = 0.0040650 k( 70) = ( 0.4000000 -0.2954340 -0.0885286), wk = 0.0040650 k( 71) = ( 0.3875000 -0.2862017 -0.0857621), wk = 0.0040650 k( 72) = ( 0.3750000 -0.2769694 -0.0829956), wk = 0.0040650 k( 73) = ( 0.3625000 -0.2677371 -0.0802291), wk = 0.0040650 k( 74) = ( 0.3500000 -0.2585047 -0.0774625), wk = 0.0040650 k( 75) = ( 0.3375000 -0.2492724 -0.0746960), wk = 0.0040650 k( 76) = ( 0.3250000 -0.2400401 -0.0719295), wk = 0.0040650 k( 77) = ( 0.3125000 -0.2308078 -0.0691630), wk = 0.0040650 k( 78) = ( 0.3000000 -0.2215755 -0.0663965), wk = 0.0040650 k( 79) = ( 0.2875000 -0.2123432 -0.0636300), wk = 0.0040650 k( 80) = ( 0.2750000 -0.2031109 -0.0608634), wk = 0.0040650 k( 81) = ( 0.2625000 -0.1938786 -0.0580969), wk = 0.0040650 k( 82) = ( 0.2500000 -0.1846462 -0.0553304), wk = 0.0040650 k( 83) = ( 0.2375000 -0.1754139 -0.0525639), wk = 0.0040650 k( 84) = ( 0.2250000 -0.1661816 -0.0497974), wk = 0.0040650 k( 85) = ( 0.2125000 -0.1569493 -0.0470308), wk = 0.0040650 k( 86) = ( 0.2000000 -0.1477170 -0.0442643), wk = 0.0040650 k( 87) = ( 0.1875000 -0.1384847 -0.0414978), wk = 0.0040650 k( 88) = ( 0.1750000 -0.1292524 -0.0387313), wk = 0.0040650 k( 89) = ( 0.1625000 -0.1200201 -0.0359648), wk = 0.0040650 k( 90) = ( 0.1500000 -0.1107877 -0.0331982), wk = 0.0040650 k( 91) = ( 0.1375000 -0.1015554 -0.0304317), wk = 0.0040650 k( 92) = ( 0.1250000 -0.0923231 -0.0276652), wk = 0.0040650 k( 93) = ( 0.1125000 -0.0830908 -0.0248987), wk = 0.0040650 k( 94) = ( 0.1000000 -0.0738585 -0.0221322), wk = 0.0040650 k( 95) = ( 0.0875000 -0.0646262 -0.0193656), wk = 0.0040650 k( 96) = ( 0.0750000 -0.0553939 -0.0165991), wk = 0.0040650 k( 97) = ( 0.0625000 -0.0461616 -0.0138326), wk = 0.0040650 k( 98) = ( 0.0500000 -0.0369292 -0.0110661), wk = 0.0040650 k( 99) = ( 0.0375000 -0.0276969 -0.0082996), wk = 0.0040650 k( 100) = ( 0.0250000 -0.0184646 -0.0055330), wk = 0.0040650 k( 101) = ( 0.0125000 -0.0092323 -0.0027665), wk = 0.0040650 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 104) = ( -0.0125000 -0.0009208 0.0091211), wk = 0.0040650 k( 105) = ( -0.0250000 -0.0018416 0.0182422), wk = 0.0040650 k( 106) = ( -0.0375000 -0.0027624 0.0273632), wk = 0.0040650 k( 107) = ( -0.0500000 -0.0036832 0.0364843), wk = 0.0040650 k( 108) = ( -0.0625000 -0.0046040 0.0456054), wk = 0.0040650 k( 109) = ( -0.0750000 -0.0055248 0.0547265), wk = 0.0040650 k( 110) = ( -0.0875000 -0.0064456 0.0638475), wk = 0.0040650 k( 111) = ( -0.1000000 -0.0073664 0.0729686), wk = 0.0040650 k( 112) = ( -0.1125000 -0.0082871 0.0820897), wk = 0.0040650 k( 113) = ( -0.1250000 -0.0092079 0.0912108), wk = 0.0040650 k( 114) = ( -0.1375000 -0.0101287 0.1003319), wk = 0.0040650 k( 115) = ( -0.1500000 -0.0110495 0.1094529), wk = 0.0040650 k( 116) = ( -0.1625000 -0.0119703 0.1185740), wk = 0.0040650 k( 117) = ( -0.1750000 -0.0128911 0.1276951), wk = 0.0040650 k( 118) = ( -0.1875000 -0.0138119 0.1368162), wk = 0.0040650 k( 119) = ( -0.2000000 -0.0147327 0.1459373), wk = 0.0040650 k( 120) = ( -0.2125000 -0.0156535 0.1550583), wk = 0.0040650 k( 121) = ( -0.2250000 -0.0165743 0.1641794), wk = 0.0040650 k( 122) = ( -0.2375000 -0.0174951 0.1733005), wk = 0.0040650 k( 123) = ( -0.2500000 -0.0184159 0.1824216), wk = 0.0040650 k( 124) = ( -0.2625000 -0.0193367 0.1915426), wk = 0.0040650 k( 125) = ( -0.2750000 -0.0202575 0.2006637), wk = 0.0040650 k( 126) = ( -0.2875000 -0.0211783 0.2097848), wk = 0.0040650 k( 127) = ( -0.3000000 -0.0220991 0.2189059), wk = 0.0040650 k( 128) = ( -0.3125000 -0.0230199 0.2280270), wk = 0.0040650 k( 129) = ( -0.3250000 -0.0239406 0.2371480), wk = 0.0040650 k( 130) = ( -0.3375000 -0.0248614 0.2462691), wk = 0.0040650 k( 131) = ( -0.3500000 -0.0257822 0.2553902), wk = 0.0040650 k( 132) = ( -0.3625000 -0.0267030 0.2645113), wk = 0.0040650 k( 133) = ( -0.3750000 -0.0276238 0.2736323), wk = 0.0040650 k( 134) = ( -0.3875000 -0.0285446 0.2827534), wk = 0.0040650 k( 135) = ( -0.4000000 -0.0294654 0.2918745), wk = 0.0040650 k( 136) = ( -0.4125000 -0.0303862 0.3009956), wk = 0.0040650 k( 137) = ( -0.4250000 -0.0313070 0.3101167), wk = 0.0040650 k( 138) = ( -0.4375000 -0.0322278 0.3192377), wk = 0.0040650 k( 139) = ( -0.4500000 -0.0331486 0.3283588), wk = 0.0040650 k( 140) = ( -0.4625000 -0.0340694 0.3374799), wk = 0.0040650 k( 141) = ( -0.4750000 -0.0349902 0.3466010), wk = 0.0040650 k( 142) = ( -0.4875000 -0.0359110 0.3557221), wk = 0.0040650 k( 143) = ( -0.5000000 -0.0368318 0.3648431), wk = 0.0040650 k( 144) = ( -0.5000000 -0.4429560 0.2413700), wk = 0.0040650 k( 145) = ( -0.4888889 -0.4331126 0.2360063), wk = 0.0040650 k( 146) = ( -0.4777778 -0.4232691 0.2306425), wk = 0.0040650 k( 147) = ( -0.4666667 -0.4134256 0.2252787), wk = 0.0040650 k( 148) = ( -0.4555556 -0.4035822 0.2199149), wk = 0.0040650 k( 149) = ( -0.4444444 -0.3937387 0.2145511), wk = 0.0040650 k( 150) = ( -0.4333333 -0.3838952 0.2091874), wk = 0.0040650 k( 151) = ( -0.4222222 -0.3740518 0.2038236), wk = 0.0040650 k( 152) = ( -0.4111111 -0.3642083 0.1984598), wk = 0.0040650 k( 153) = ( -0.4000000 -0.3543648 0.1930960), wk = 0.0040650 k( 154) = ( -0.3888889 -0.3445214 0.1877322), wk = 0.0040650 k( 155) = ( -0.3777778 -0.3346779 0.1823685), wk = 0.0040650 k( 156) = ( -0.3666667 -0.3248344 0.1770047), wk = 0.0040650 k( 157) = ( -0.3555556 -0.3149910 0.1716409), wk = 0.0040650 k( 158) = ( -0.3444444 -0.3051475 0.1662771), wk = 0.0040650 k( 159) = ( -0.3333333 -0.2953040 0.1609134), wk = 0.0040650 k( 160) = ( -0.3222222 -0.2854605 0.1555496), wk = 0.0040650 k( 161) = ( -0.3111111 -0.2756171 0.1501858), wk = 0.0040650 k( 162) = ( -0.3000000 -0.2657736 0.1448220), wk = 0.0040650 k( 163) = ( -0.2888889 -0.2559301 0.1394582), wk = 0.0040650 k( 164) = ( -0.2777778 -0.2460867 0.1340945), wk = 0.0040650 k( 165) = ( -0.2666667 -0.2362432 0.1287307), wk = 0.0040650 k( 166) = ( -0.2555556 -0.2263997 0.1233669), wk = 0.0040650 k( 167) = ( -0.2444444 -0.2165563 0.1180031), wk = 0.0040650 k( 168) = ( -0.2333333 -0.2067128 0.1126393), wk = 0.0040650 k( 169) = ( -0.2222222 -0.1968693 0.1072756), wk = 0.0040650 k( 170) = ( -0.2111111 -0.1870259 0.1019118), wk = 0.0040650 k( 171) = ( -0.2000000 -0.1771824 0.0965480), wk = 0.0040650 k( 172) = ( -0.1888889 -0.1673389 0.0911842), wk = 0.0040650 k( 173) = ( -0.1777778 -0.1574955 0.0858205), wk = 0.0040650 k( 174) = ( -0.1666667 -0.1476520 0.0804567), wk = 0.0040650 k( 175) = ( -0.1555556 -0.1378085 0.0750929), wk = 0.0040650 k( 176) = ( -0.1444444 -0.1279651 0.0697291), wk = 0.0040650 k( 177) = ( -0.1333333 -0.1181216 0.0643653), wk = 0.0040650 k( 178) = ( -0.1222222 -0.1082781 0.0590016), wk = 0.0040650 k( 179) = ( -0.1111111 -0.0984347 0.0536378), wk = 0.0040650 k( 180) = ( -0.1000000 -0.0885912 0.0482740), wk = 0.0040650 k( 181) = ( -0.0888889 -0.0787477 0.0429102), wk = 0.0040650 k( 182) = ( -0.0777778 -0.0689043 0.0375465), wk = 0.0040650 k( 183) = ( -0.0666667 -0.0590608 0.0321827), wk = 0.0040650 k( 184) = ( -0.0555556 -0.0492173 0.0268189), wk = 0.0040650 k( 185) = ( -0.0444444 -0.0393739 0.0214551), wk = 0.0040650 k( 186) = ( -0.0333333 -0.0295304 0.0160913), wk = 0.0040650 k( 187) = ( -0.0222222 -0.0196869 0.0107276), wk = 0.0040650 k( 188) = ( -0.0111111 -0.0098435 0.0053638), wk = 0.0040650 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 191) = ( 0.0000000 0.0000000 0.0157356), wk = 0.0040650 k( 192) = ( 0.0000000 0.0000000 0.0314713), wk = 0.0040650 k( 193) = ( 0.0000000 0.0000000 0.0472069), wk = 0.0040650 k( 194) = ( 0.0000000 0.0000000 0.0629426), wk = 0.0040650 k( 195) = ( 0.0000000 0.0000000 0.0786782), wk = 0.0040650 k( 196) = ( 0.0000000 0.0000000 0.0944139), wk = 0.0040650 k( 197) = ( 0.0000000 0.0000000 0.1101495), wk = 0.0040650 k( 198) = ( 0.0000000 0.0000000 0.1258852), wk = 0.0040650 k( 199) = ( 0.0000000 0.0000000 0.1416208), wk = 0.0040650 k( 200) = ( 0.0000000 0.0000000 0.1573564), wk = 0.0040650 k( 201) = ( 0.0000000 0.0000000 0.1730921), wk = 0.0040650 k( 202) = ( 0.0000000 0.0000000 0.1888277), wk = 0.0040650 k( 203) = ( 0.0000000 0.0000000 0.2045634), wk = 0.0040650 k( 204) = ( 0.0000000 0.0000000 0.2202990), wk = 0.0040650 k( 205) = ( 0.0000000 0.0000000 0.2360347), wk = 0.0040650 k( 206) = ( 0.0000000 0.0000000 0.2517703), wk = 0.0040650 k( 207) = ( 0.0000000 0.0000000 0.2675059), wk = 0.0040650 k( 208) = ( 0.0000000 0.0000000 0.2832416), wk = 0.0040650 k( 209) = ( 0.0000000 0.0000000 0.2989772), wk = 0.0040650 k( 210) = ( 0.0000000 0.0000000 0.3147129), wk = 0.0040650 k( 211) = ( 0.0000000 0.0000000 0.3304485), wk = 0.0040650 k( 212) = ( 0.0000000 0.0000000 0.3461842), wk = 0.0040650 k( 213) = ( 0.0000000 0.0000000 0.3619198), wk = 0.0040650 k( 214) = ( 0.0000000 0.0000000 0.3776554), wk = 0.0040650 k( 215) = ( 0.0000000 -0.4061243 0.2541823), wk = 0.0040650 k( 216) = ( 0.0000000 -0.3930235 0.2459829), wk = 0.0040650 k( 217) = ( 0.0000000 -0.3799227 0.2377835), wk = 0.0040650 k( 218) = ( 0.0000000 -0.3668219 0.2295841), wk = 0.0040650 k( 219) = ( 0.0000000 -0.3537211 0.2213846), wk = 0.0040650 k( 220) = ( 0.0000000 -0.3406203 0.2131852), wk = 0.0040650 k( 221) = ( 0.0000000 -0.3275196 0.2049858), wk = 0.0040650 k( 222) = ( 0.0000000 -0.3144188 0.1967863), wk = 0.0040650 k( 223) = ( 0.0000000 -0.3013180 0.1885869), wk = 0.0040650 k( 224) = ( 0.0000000 -0.2882172 0.1803875), wk = 0.0040650 k( 225) = ( 0.0000000 -0.2751164 0.1721880), wk = 0.0040650 k( 226) = ( 0.0000000 -0.2620157 0.1639886), wk = 0.0040650 k( 227) = ( 0.0000000 -0.2489149 0.1557892), wk = 0.0040650 k( 228) = ( 0.0000000 -0.2358141 0.1475897), wk = 0.0040650 k( 229) = ( 0.0000000 -0.2227133 0.1393903), wk = 0.0040650 k( 230) = ( 0.0000000 -0.2096125 0.1311909), wk = 0.0040650 k( 231) = ( 0.0000000 -0.1965117 0.1229915), wk = 0.0040650 k( 232) = ( 0.0000000 -0.1834110 0.1147920), wk = 0.0040650 k( 233) = ( 0.0000000 -0.1703102 0.1065926), wk = 0.0040650 k( 234) = ( 0.0000000 -0.1572094 0.0983932), wk = 0.0040650 k( 235) = ( 0.0000000 -0.1441086 0.0901937), wk = 0.0040650 k( 236) = ( 0.0000000 -0.1310078 0.0819943), wk = 0.0040650 k( 237) = ( 0.0000000 -0.1179070 0.0737949), wk = 0.0040650 k( 238) = ( 0.0000000 -0.1048063 0.0655954), wk = 0.0040650 k( 239) = ( 0.0000000 -0.0917055 0.0573960), wk = 0.0040650 k( 240) = ( 0.0000000 -0.0786047 0.0491966), wk = 0.0040650 k( 241) = ( 0.0000000 -0.0655039 0.0409972), wk = 0.0040650 k( 242) = ( 0.0000000 -0.0524031 0.0327977), wk = 0.0040650 k( 243) = ( 0.0000000 -0.0393024 0.0245983), wk = 0.0040650 k( 244) = ( 0.0000000 -0.0262016 0.0163989), wk = 0.0040650 k( 245) = ( 0.0000000 -0.0131008 0.0081994), wk = 0.0040650 k( 246) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 -0.0000000), wk = 0.0040650 k( 2) = ( 0.0000000 -0.4814815 -0.0000000), wk = 0.0040650 k( 3) = ( 0.0000000 -0.4629630 -0.0000000), wk = 0.0040650 k( 4) = ( 0.0000000 -0.4444444 -0.0000000), wk = 0.0040650 k( 5) = ( 0.0000000 -0.4259259 -0.0000000), wk = 0.0040650 k( 6) = ( 0.0000000 -0.4074074 -0.0000000), wk = 0.0040650 k( 7) = ( 0.0000000 -0.3888889 0.0000000), wk = 0.0040650 k( 8) = ( 0.0000000 -0.3703704 -0.0000000), wk = 0.0040650 k( 9) = ( 0.0000000 -0.3518519 -0.0000000), wk = 0.0040650 k( 10) = ( 0.0000000 -0.3333333 -0.0000000), wk = 0.0040650 k( 11) = ( 0.0000000 -0.3148148 -0.0000000), wk = 0.0040650 k( 12) = ( 0.0000000 -0.2962963 0.0000000), wk = 0.0040650 k( 13) = ( 0.0000000 -0.2777778 -0.0000000), wk = 0.0040650 k( 14) = ( 0.0000000 -0.2592593 -0.0000000), wk = 0.0040650 k( 15) = ( 0.0000000 -0.2407407 -0.0000000), wk = 0.0040650 k( 16) = ( 0.0000000 -0.2222222 -0.0000000), wk = 0.0040650 k( 17) = ( 0.0000000 -0.2037037 -0.0000000), wk = 0.0040650 k( 18) = ( 0.0000000 -0.1851852 -0.0000000), wk = 0.0040650 k( 19) = ( 0.0000000 -0.1666667 -0.0000000), wk = 0.0040650 k( 20) = ( 0.0000000 -0.1481482 0.0000000), wk = 0.0040650 k( 21) = ( 0.0000000 -0.1296296 -0.0000000), wk = 0.0040650 k( 22) = ( 0.0000000 -0.1111111 -0.0000000), wk = 0.0040650 k( 23) = ( 0.0000000 -0.0925926 -0.0000000), wk = 0.0040650 k( 24) = ( 0.0000000 -0.0740741 -0.0000000), wk = 0.0040650 k( 25) = ( 0.0000000 -0.0555556 -0.0000000), wk = 0.0040650 k( 26) = ( 0.0000000 -0.0370370 0.0000000), wk = 0.0040650 k( 27) = ( 0.0000000 -0.0185185 0.0000000), wk = 0.0040650 k( 28) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 29) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 30) = ( 0.0156250 -0.0000000 0.0000000), wk = 0.0040650 k( 31) = ( 0.0312500 -0.0000000 0.0000000), wk = 0.0040650 k( 32) = ( 0.0468750 -0.0000000 0.0000000), wk = 0.0040650 k( 33) = ( 0.0625000 -0.0000000 0.0000000), wk = 0.0040650 k( 34) = ( 0.0781250 -0.0000000 0.0000000), wk = 0.0040650 k( 35) = ( 0.0937500 -0.0000000 0.0000000), wk = 0.0040650 k( 36) = ( 0.1093750 -0.0000000 0.0000000), wk = 0.0040650 k( 37) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0040650 k( 38) = ( 0.1406250 -0.0000000 0.0000000), wk = 0.0040650 k( 39) = ( 0.1562500 -0.0000000 0.0000000), wk = 0.0040650 k( 40) = ( 0.1718750 -0.0000000 -0.0000000), wk = 0.0040650 k( 41) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0040650 k( 42) = ( 0.2031250 -0.0000000 0.0000000), wk = 0.0040650 k( 43) = ( 0.2187500 -0.0000000 0.0000000), wk = 0.0040650 k( 44) = ( 0.2343750 -0.0000000 -0.0000000), wk = 0.0040650 k( 45) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0040650 k( 46) = ( 0.2656250 -0.0000000 0.0000000), wk = 0.0040650 k( 47) = ( 0.2812500 -0.0000000 0.0000000), wk = 0.0040650 k( 48) = ( 0.2968750 -0.0000000 -0.0000000), wk = 0.0040650 k( 49) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0040650 k( 50) = ( 0.3281250 -0.0000000 0.0000000), wk = 0.0040650 k( 51) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0040650 k( 52) = ( 0.3593750 -0.0000000 -0.0000000), wk = 0.0040650 k( 53) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0040650 k( 54) = ( 0.3906250 -0.0000000 0.0000000), wk = 0.0040650 k( 55) = ( 0.4062500 -0.0000000 0.0000000), wk = 0.0040650 k( 56) = ( 0.4218750 -0.0000000 -0.0000000), wk = 0.0040650 k( 57) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0040650 k( 58) = ( 0.4531250 -0.0000000 0.0000000), wk = 0.0040650 k( 59) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0040650 k( 60) = ( 0.4843750 -0.0000000 0.0000000), wk = 0.0040650 k( 61) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0040650 k( 62) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0040650 k( 63) = ( 0.4875000 -0.4875000 -0.0000000), wk = 0.0040650 k( 64) = ( 0.4750000 -0.4750000 -0.0000000), wk = 0.0040650 k( 65) = ( 0.4625000 -0.4625000 -0.0000000), wk = 0.0040650 k( 66) = ( 0.4500000 -0.4500000 -0.0000000), wk = 0.0040650 k( 67) = ( 0.4375000 -0.4375000 0.0000000), wk = 0.0040650 k( 68) = ( 0.4250000 -0.4250000 -0.0000000), wk = 0.0040650 k( 69) = ( 0.4125000 -0.4125000 0.0000000), wk = 0.0040650 k( 70) = ( 0.4000000 -0.4000000 -0.0000000), wk = 0.0040650 k( 71) = ( 0.3875000 -0.3875000 0.0000000), wk = 0.0040650 k( 72) = ( 0.3750000 -0.3750000 -0.0000000), wk = 0.0040650 k( 73) = ( 0.3625000 -0.3625000 0.0000000), wk = 0.0040650 k( 74) = ( 0.3500000 -0.3500000 -0.0000000), wk = 0.0040650 k( 75) = ( 0.3375000 -0.3375000 -0.0000000), wk = 0.0040650 k( 76) = ( 0.3250000 -0.3250000 -0.0000000), wk = 0.0040650 k( 77) = ( 0.3125000 -0.3125000 -0.0000000), wk = 0.0040650 k( 78) = ( 0.3000000 -0.3000000 -0.0000000), wk = 0.0040650 k( 79) = ( 0.2875000 -0.2875000 -0.0000000), wk = 0.0040650 k( 80) = ( 0.2750000 -0.2750000 -0.0000000), wk = 0.0040650 k( 81) = ( 0.2625000 -0.2625000 -0.0000000), wk = 0.0040650 k( 82) = ( 0.2500000 -0.2500000 -0.0000000), wk = 0.0040650 k( 83) = ( 0.2375000 -0.2375000 -0.0000000), wk = 0.0040650 k( 84) = ( 0.2250000 -0.2250000 -0.0000000), wk = 0.0040650 k( 85) = ( 0.2125000 -0.2125000 -0.0000000), wk = 0.0040650 k( 86) = ( 0.2000000 -0.2000000 -0.0000000), wk = 0.0040650 k( 87) = ( 0.1875000 -0.1875000 -0.0000000), wk = 0.0040650 k( 88) = ( 0.1750000 -0.1750000 -0.0000000), wk = 0.0040650 k( 89) = ( 0.1625000 -0.1625000 -0.0000000), wk = 0.0040650 k( 90) = ( 0.1500000 -0.1500000 -0.0000000), wk = 0.0040650 k( 91) = ( 0.1375000 -0.1375000 -0.0000000), wk = 0.0040650 k( 92) = ( 0.1250000 -0.1250000 -0.0000000), wk = 0.0040650 k( 93) = ( 0.1125000 -0.1125000 -0.0000000), wk = 0.0040650 k( 94) = ( 0.1000000 -0.1000000 -0.0000000), wk = 0.0040650 k( 95) = ( 0.0875000 -0.0875000 -0.0000000), wk = 0.0040650 k( 96) = ( 0.0750000 -0.0750000 -0.0000000), wk = 0.0040650 k( 97) = ( 0.0625000 -0.0625000 -0.0000000), wk = 0.0040650 k( 98) = ( 0.0500000 -0.0500000 -0.0000000), wk = 0.0040650 k( 99) = ( 0.0375000 -0.0375000 -0.0000000), wk = 0.0040650 k( 100) = ( 0.0250000 -0.0250000 -0.0000000), wk = 0.0040650 k( 101) = ( 0.0125000 -0.0125000 -0.0000000), wk = 0.0040650 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 104) = ( -0.0125000 0.0000000 0.0125000), wk = 0.0040650 k( 105) = ( -0.0250000 0.0000000 0.0250000), wk = 0.0040650 k( 106) = ( -0.0375000 0.0000000 0.0375000), wk = 0.0040650 k( 107) = ( -0.0500000 0.0000000 0.0500000), wk = 0.0040650 k( 108) = ( -0.0625000 0.0000000 0.0625000), wk = 0.0040650 k( 109) = ( -0.0750000 0.0000000 0.0750000), wk = 0.0040650 k( 110) = ( -0.0875000 0.0000000 0.0875000), wk = 0.0040650 k( 111) = ( -0.1000000 0.0000000 0.1000000), wk = 0.0040650 k( 112) = ( -0.1125000 0.0000000 0.1125000), wk = 0.0040650 k( 113) = ( -0.1250000 0.0000000 0.1250000), wk = 0.0040650 k( 114) = ( -0.1375000 0.0000000 0.1375000), wk = 0.0040650 k( 115) = ( -0.1500000 0.0000000 0.1500000), wk = 0.0040650 k( 116) = ( -0.1625000 0.0000000 0.1625000), wk = 0.0040650 k( 117) = ( -0.1750000 0.0000000 0.1750000), wk = 0.0040650 k( 118) = ( -0.1875000 0.0000000 0.1875000), wk = 0.0040650 k( 119) = ( -0.2000000 0.0000000 0.2000000), wk = 0.0040650 k( 120) = ( -0.2125000 0.0000000 0.2125000), wk = 0.0040650 k( 121) = ( -0.2250000 0.0000000 0.2250000), wk = 0.0040650 k( 122) = ( -0.2375000 0.0000000 0.2375000), wk = 0.0040650 k( 123) = ( -0.2500000 0.0000000 0.2500000), wk = 0.0040650 k( 124) = ( -0.2625000 0.0000000 0.2625000), wk = 0.0040650 k( 125) = ( -0.2750000 0.0000000 0.2750000), wk = 0.0040650 k( 126) = ( -0.2875000 0.0000000 0.2875000), wk = 0.0040650 k( 127) = ( -0.3000000 0.0000000 0.3000000), wk = 0.0040650 k( 128) = ( -0.3125000 0.0000000 0.3125000), wk = 0.0040650 k( 129) = ( -0.3250000 0.0000000 0.3250000), wk = 0.0040650 k( 130) = ( -0.3375000 0.0000000 0.3375000), wk = 0.0040650 k( 131) = ( -0.3500000 0.0000000 0.3500000), wk = 0.0040650 k( 132) = ( -0.3625000 0.0000000 0.3625000), wk = 0.0040650 k( 133) = ( -0.3750000 0.0000000 0.3750000), wk = 0.0040650 k( 134) = ( -0.3875000 0.0000000 0.3875000), wk = 0.0040650 k( 135) = ( -0.4000000 0.0000000 0.4000000), wk = 0.0040650 k( 136) = ( -0.4125000 0.0000000 0.4125000), wk = 0.0040650 k( 137) = ( -0.4250000 0.0000000 0.4250000), wk = 0.0040650 k( 138) = ( -0.4375000 0.0000000 0.4375000), wk = 0.0040650 k( 139) = ( -0.4500000 0.0000000 0.4500000), wk = 0.0040650 k( 140) = ( -0.4625000 0.0000000 0.4625000), wk = 0.0040650 k( 141) = ( -0.4750000 0.0000000 0.4750000), wk = 0.0040650 k( 142) = ( -0.4875000 0.0000000 0.4875000), wk = 0.0040650 k( 143) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0040650 k( 144) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0040650 k( 145) = ( -0.4888889 -0.4888889 0.4888889), wk = 0.0040650 k( 146) = ( -0.4777778 -0.4777778 0.4777778), wk = 0.0040650 k( 147) = ( -0.4666667 -0.4666667 0.4666667), wk = 0.0040650 k( 148) = ( -0.4555556 -0.4555556 0.4555556), wk = 0.0040650 k( 149) = ( -0.4444444 -0.4444444 0.4444444), wk = 0.0040650 k( 150) = ( -0.4333333 -0.4333333 0.4333333), wk = 0.0040650 k( 151) = ( -0.4222222 -0.4222222 0.4222222), wk = 0.0040650 k( 152) = ( -0.4111111 -0.4111111 0.4111111), wk = 0.0040650 k( 153) = ( -0.4000000 -0.4000000 0.4000000), wk = 0.0040650 k( 154) = ( -0.3888889 -0.3888889 0.3888889), wk = 0.0040650 k( 155) = ( -0.3777778 -0.3777778 0.3777778), wk = 0.0040650 k( 156) = ( -0.3666667 -0.3666667 0.3666667), wk = 0.0040650 k( 157) = ( -0.3555556 -0.3555556 0.3555556), wk = 0.0040650 k( 158) = ( -0.3444444 -0.3444444 0.3444444), wk = 0.0040650 k( 159) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0040650 k( 160) = ( -0.3222222 -0.3222222 0.3222222), wk = 0.0040650 k( 161) = ( -0.3111111 -0.3111111 0.3111111), wk = 0.0040650 k( 162) = ( -0.3000000 -0.3000000 0.3000000), wk = 0.0040650 k( 163) = ( -0.2888889 -0.2888889 0.2888889), wk = 0.0040650 k( 164) = ( -0.2777778 -0.2777778 0.2777778), wk = 0.0040650 k( 165) = ( -0.2666667 -0.2666667 0.2666667), wk = 0.0040650 k( 166) = ( -0.2555556 -0.2555556 0.2555556), wk = 0.0040650 k( 167) = ( -0.2444444 -0.2444444 0.2444444), wk = 0.0040650 k( 168) = ( -0.2333333 -0.2333333 0.2333333), wk = 0.0040650 k( 169) = ( -0.2222222 -0.2222222 0.2222222), wk = 0.0040650 k( 170) = ( -0.2111111 -0.2111111 0.2111111), wk = 0.0040650 k( 171) = ( -0.2000000 -0.2000000 0.2000000), wk = 0.0040650 k( 172) = ( -0.1888889 -0.1888889 0.1888889), wk = 0.0040650 k( 173) = ( -0.1777778 -0.1777778 0.1777778), wk = 0.0040650 k( 174) = ( -0.1666667 -0.1666667 0.1666667), wk = 0.0040650 k( 175) = ( -0.1555556 -0.1555556 0.1555556), wk = 0.0040650 k( 176) = ( -0.1444444 -0.1444444 0.1444444), wk = 0.0040650 k( 177) = ( -0.1333333 -0.1333333 0.1333333), wk = 0.0040650 k( 178) = ( -0.1222222 -0.1222222 0.1222222), wk = 0.0040650 k( 179) = ( -0.1111111 -0.1111111 0.1111111), wk = 0.0040650 k( 180) = ( -0.1000000 -0.1000000 0.1000000), wk = 0.0040650 k( 181) = ( -0.0888889 -0.0888889 0.0888889), wk = 0.0040650 k( 182) = ( -0.0777778 -0.0777778 0.0777778), wk = 0.0040650 k( 183) = ( -0.0666667 -0.0666667 0.0666667), wk = 0.0040650 k( 184) = ( -0.0555556 -0.0555556 0.0555556), wk = 0.0040650 k( 185) = ( -0.0444444 -0.0444444 0.0444444), wk = 0.0040650 k( 186) = ( -0.0333333 -0.0333333 0.0333333), wk = 0.0040650 k( 187) = ( -0.0222222 -0.0222222 0.0222222), wk = 0.0040650 k( 188) = ( -0.0111111 -0.0111111 0.0111111), wk = 0.0040650 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 191) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0040650 k( 192) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0040650 k( 193) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0040650 k( 194) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0040650 k( 195) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0040650 k( 196) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0040650 k( 197) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0040650 k( 198) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0040650 k( 199) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0040650 k( 200) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0040650 k( 201) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0040650 k( 202) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0040650 k( 203) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0040650 k( 204) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0040650 k( 205) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0040650 k( 206) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0040650 k( 207) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0040650 k( 208) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0040650 k( 209) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0040650 k( 210) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0040650 k( 211) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0040650 k( 212) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0040650 k( 213) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0040650 k( 214) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 215) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0040650 k( 216) = ( 0.0000000 -0.4838710 0.4838710), wk = 0.0040650 k( 217) = ( 0.0000000 -0.4677419 0.4677419), wk = 0.0040650 k( 218) = ( 0.0000000 -0.4516129 0.4516129), wk = 0.0040650 k( 219) = ( 0.0000000 -0.4354839 0.4354839), wk = 0.0040650 k( 220) = ( 0.0000000 -0.4193548 0.4193548), wk = 0.0040650 k( 221) = ( 0.0000000 -0.4032258 0.4032258), wk = 0.0040650 k( 222) = ( 0.0000000 -0.3870968 0.3870968), wk = 0.0040650 k( 223) = ( 0.0000000 -0.3709677 0.3709677), wk = 0.0040650 k( 224) = ( 0.0000000 -0.3548387 0.3548387), wk = 0.0040650 k( 225) = ( 0.0000000 -0.3387097 0.3387097), wk = 0.0040650 k( 226) = ( 0.0000000 -0.3225807 0.3225807), wk = 0.0040650 k( 227) = ( 0.0000000 -0.3064516 0.3064516), wk = 0.0040650 k( 228) = ( 0.0000000 -0.2903226 0.2903226), wk = 0.0040650 k( 229) = ( 0.0000000 -0.2741936 0.2741936), wk = 0.0040650 k( 230) = ( 0.0000000 -0.2580645 0.2580645), wk = 0.0040650 k( 231) = ( 0.0000000 -0.2419355 0.2419355), wk = 0.0040650 k( 232) = ( 0.0000000 -0.2258064 0.2258064), wk = 0.0040650 k( 233) = ( 0.0000000 -0.2096774 0.2096774), wk = 0.0040650 k( 234) = ( 0.0000000 -0.1935484 0.1935484), wk = 0.0040650 k( 235) = ( 0.0000000 -0.1774193 0.1774193), wk = 0.0040650 k( 236) = ( 0.0000000 -0.1612903 0.1612903), wk = 0.0040650 k( 237) = ( 0.0000000 -0.1451613 0.1451613), wk = 0.0040650 k( 238) = ( 0.0000000 -0.1290323 0.1290323), wk = 0.0040650 k( 239) = ( 0.0000000 -0.1129032 0.1129032), wk = 0.0040650 k( 240) = ( 0.0000000 -0.0967742 0.0967742), wk = 0.0040650 k( 241) = ( 0.0000000 -0.0806452 0.0806452), wk = 0.0040650 k( 242) = ( 0.0000000 -0.0645161 0.0645161), wk = 0.0040650 k( 243) = ( 0.0000000 -0.0483871 0.0483871), wk = 0.0040650 k( 244) = ( 0.0000000 -0.0322581 0.0322581), wk = 0.0040650 k( 245) = ( 0.0000000 -0.0161290 0.0161290), wk = 0.0040650 k( 246) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 Dense grid: 135625 G-vectors FFT dimensions: ( 60, 72, 75) Smooth grid: 59107 G-vectors FFT dimensions: ( 45, 54, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 214, 62) NL pseudopotentials 0.22 Mb ( 107, 136) Each V/rho on FFT grid 0.13 Mb ( 8640) Each G-vector array 0.01 Mb ( 1889) G-vector shells 0.01 Mb ( 1772) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 214, 248) Each subspace H/S matrix 0.03 Mb ( 41, 41) Each matrix 0.26 Mb ( 136, 2, 62) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./H6C2SeO.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.4 secs Computing kpt #: 6 total cpu time spent up to now is 7.4 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.3 secs Computing kpt #: 9 total cpu time spent up to now is 10.3 secs Computing kpt #: 10 total cpu time spent up to now is 11.2 secs Computing kpt #: 11 total cpu time spent up to now is 12.1 secs Computing kpt #: 12 total cpu time spent up to now is 13.1 secs Computing kpt #: 13 total cpu time spent up to now is 14.0 secs Computing kpt #: 14 total cpu time spent up to now is 14.9 secs Computing kpt #: 15 total cpu time spent up to now is 15.7 secs Computing kpt #: 16 total cpu time spent up to now is 16.7 secs Computing kpt #: 17 total cpu time spent up to now is 17.5 secs Computing kpt #: 18 total cpu time spent up to now is 18.5 secs Computing kpt #: 19 total cpu time spent up to now is 19.3 secs Computing kpt #: 20 total cpu time spent up to now is 20.2 secs Computing kpt #: 21 total cpu time spent up to now is 21.1 secs Computing kpt #: 22 total cpu time spent up to now is 21.9 secs Computing kpt #: 23 total cpu time spent up to now is 22.8 secs Computing kpt #: 24 total cpu time spent up to now is 23.6 secs Computing kpt #: 25 total cpu time spent up to now is 24.4 secs Computing kpt #: 26 total cpu time spent up to now is 25.3 secs Computing kpt #: 27 total cpu time spent up to now is 26.1 secs Computing kpt #: 28 total cpu time spent up to now is 26.9 secs Computing kpt #: 29 total cpu time spent up to now is 27.7 secs Computing kpt #: 30 total cpu time spent up to now is 28.5 secs Computing kpt #: 31 total cpu time spent up to now is 29.4 secs Computing kpt #: 32 total cpu time spent up to now is 30.2 secs Computing kpt #: 33 total cpu time spent up to now is 31.2 secs Computing kpt #: 34 total cpu time spent up to now is 32.1 secs Computing kpt #: 35 total cpu time spent up to now is 33.1 secs Computing kpt #: 36 total cpu time spent up to now is 34.0 secs Computing kpt #: 37 total cpu time spent up to now is 34.9 secs Computing kpt #: 38 total cpu time spent up to now is 35.9 secs Computing kpt #: 39 total cpu time spent up to now is 36.7 secs Computing kpt #: 40 total cpu time spent up to now is 37.5 secs Computing kpt #: 41 total cpu time spent up to now is 38.3 secs Computing kpt #: 42 total cpu time spent up to now is 39.1 secs Computing kpt #: 43 total cpu time spent up to now is 39.9 secs Computing kpt #: 44 total cpu time spent up to now is 40.7 secs Computing kpt #: 45 total cpu time spent up to now is 41.5 secs Computing kpt #: 46 total cpu time spent up to now is 42.3 secs Computing kpt #: 47 total cpu time spent up to now is 43.1 secs Computing kpt #: 48 total cpu time spent up to now is 44.0 secs Computing kpt #: 49 total cpu time spent up to now is 44.8 secs Computing kpt #: 50 total cpu time spent up to now is 45.6 secs Computing kpt #: 51 total cpu time spent up to now is 46.4 secs Computing kpt #: 52 total cpu time spent up to now is 47.3 secs Computing kpt #: 53 total cpu time spent up to now is 48.1 secs Computing kpt #: 54 total cpu time spent up to now is 49.0 secs Computing kpt #: 55 total cpu time spent up to now is 49.9 secs Computing kpt #: 56 total cpu time spent up to now is 50.7 secs Computing kpt #: 57 total cpu time spent up to now is 51.6 secs Computing kpt #: 58 total cpu time spent up to now is 52.4 secs Computing kpt #: 59 total cpu time spent up to now is 53.2 secs Computing kpt #: 60 total cpu time spent up to now is 54.1 secs Computing kpt #: 61 total cpu time spent up to now is 54.9 secs Computing kpt #: 62 total cpu time spent up to now is 55.7 secs Computing kpt #: 63 total cpu time spent up to now is 56.6 secs Computing kpt #: 64 total cpu time spent up to now is 57.6 secs Computing kpt #: 65 total cpu time spent up to now is 58.5 secs Computing kpt #: 66 total cpu time spent up to now is 59.4 secs Computing kpt #: 67 total cpu time spent up to now is 60.3 secs Computing kpt #: 68 total cpu time spent up to now is 61.3 secs Computing kpt #: 69 total cpu time spent up to now is 62.2 secs Computing kpt #: 70 total cpu time spent up to now is 63.1 secs Computing kpt #: 71 total cpu time spent up to now is 63.9 secs Computing kpt #: 72 total cpu time spent up to now is 64.7 secs Computing kpt #: 73 total cpu time spent up to now is 65.5 secs Computing kpt #: 74 total cpu time spent up to now is 66.4 secs Computing kpt #: 75 total cpu time spent up to now is 67.2 secs Computing kpt #: 76 total cpu time spent up to now is 68.0 secs Computing kpt #: 77 total cpu time spent up to now is 68.8 secs Computing kpt #: 78 total cpu time spent up to now is 69.6 secs Computing kpt #: 79 total cpu time spent up to now is 70.4 secs Computing kpt #: 80 total cpu time spent up to now is 71.2 secs Computing kpt #: 81 total cpu time spent up to now is 72.0 secs Computing kpt #: 82 total cpu time spent up to now is 72.7 secs Computing kpt #: 83 total cpu time spent up to now is 73.5 secs Computing kpt #: 84 total cpu time spent up to now is 74.3 secs Computing kpt #: 85 total cpu time spent up to now is 75.1 secs Computing kpt #: 86 total cpu time spent up to now is 75.9 secs Computing kpt #: 87 total cpu time spent up to now is 76.6 secs Computing kpt #: 88 total cpu time spent up to now is 77.4 secs Computing kpt #: 89 total cpu time spent up to now is 78.2 secs Computing kpt #: 90 total cpu time spent up to now is 79.0 secs Computing kpt #: 91 total cpu time spent up to now is 79.8 secs Computing kpt #: 92 total cpu time spent up to now is 80.7 secs Computing kpt #: 93 total cpu time spent up to now is 81.7 secs Computing kpt #: 94 total cpu time spent up to now is 82.5 secs Computing kpt #: 95 total cpu time spent up to now is 83.3 secs Computing kpt #: 96 total cpu time spent up to now is 84.2 secs Computing kpt #: 97 total cpu time spent up to now is 85.1 secs Computing kpt #: 98 total cpu time spent up to now is 85.9 secs Computing kpt #: 99 total cpu time spent up to now is 86.8 secs Computing kpt #: 100 total cpu time spent up to now is 87.6 secs Computing kpt #: 101 total cpu time spent up to now is 88.5 secs Computing kpt #: 102 total cpu time spent up to now is 89.3 secs Computing kpt #: 103 total cpu time spent up to now is 90.2 secs Computing kpt #: 104 total cpu time spent up to now is 91.0 secs Computing kpt #: 105 total cpu time spent up to now is 91.8 secs Computing kpt #: 106 total cpu time spent up to now is 92.7 secs Computing kpt #: 107 total cpu time spent up to now is 93.5 secs Computing kpt #: 108 total cpu time spent up to now is 94.4 secs Computing kpt #: 109 total cpu time spent up to now is 95.2 secs Computing kpt #: 110 total cpu time spent up to now is 96.1 secs Computing kpt #: 111 total cpu time spent up to now is 96.9 secs Computing kpt #: 112 total cpu time spent up to now is 97.8 secs Computing kpt #: 113 total cpu time spent up to now is 98.6 secs Computing kpt #: 114 total cpu time spent up to now is 99.5 secs Computing kpt #: 115 total cpu time spent up to now is 100.4 secs Computing kpt #: 116 total cpu time spent up to now is 101.2 secs Computing kpt #: 117 total cpu time spent up to now is 102.1 secs Computing kpt #: 118 total cpu time spent up to now is 102.9 secs Computing kpt #: 119 total cpu time spent up to now is 103.7 secs Computing kpt #: 120 total cpu time spent up to now is 104.5 secs Computing kpt #: 121 total cpu time spent up to now is 105.3 secs Computing kpt #: 122 total cpu time spent up to now is 106.1 secs Computing kpt #: 123 total cpu time spent up to now is 106.9 secs Computing kpt #: 124 total cpu time spent up to now is 107.7 secs Computing kpt #: 125 total cpu time spent up to now is 108.5 secs Computing kpt #: 126 total cpu time spent up to now is 109.2 secs Computing kpt #: 127 total cpu time spent up to now is 110.0 secs Computing kpt #: 128 total cpu time spent up to now is 110.8 secs Computing kpt #: 129 total cpu time spent up to now is 111.5 secs Computing kpt #: 130 total cpu time spent up to now is 112.3 secs Computing kpt #: 131 total cpu time spent up to now is 113.1 secs Computing kpt #: 132 total cpu time spent up to now is 113.8 secs Computing kpt #: 133 total cpu time spent up to now is 114.6 secs Computing kpt #: 134 total cpu time spent up to now is 115.4 secs Computing kpt #: 135 total cpu time spent up to now is 116.2 secs Computing kpt #: 136 total cpu time spent up to now is 116.9 secs Computing kpt #: 137 total cpu time spent up to now is 117.7 secs Computing kpt #: 138 total cpu time spent up to now is 118.5 secs Computing kpt #: 139 total cpu time spent up to now is 119.3 secs Computing kpt #: 140 total cpu time spent up to now is 120.1 secs Computing kpt #: 141 total cpu time spent up to now is 120.9 secs Computing kpt #: 142 total cpu time spent up to now is 121.7 secs Computing kpt #: 143 total cpu time spent up to now is 122.5 secs Computing kpt #: 144 total cpu time spent up to now is 123.4 secs Computing kpt #: 145 total cpu time spent up to now is 124.3 secs Computing kpt #: 146 total cpu time spent up to now is 125.3 secs Computing kpt #: 147 total cpu time spent up to now is 126.2 secs Computing kpt #: 148 total cpu time spent up to now is 127.1 secs Computing kpt #: 149 total cpu time spent up to now is 128.0 secs Computing kpt #: 150 total cpu time spent up to now is 128.8 secs Computing kpt #: 151 total cpu time spent up to now is 129.6 secs Computing kpt #: 152 total cpu time spent up to now is 130.5 secs Computing kpt #: 153 total cpu time spent up to now is 131.2 secs Computing kpt #: 154 total cpu time spent up to now is 132.0 secs Computing kpt #: 155 total cpu time spent up to now is 132.8 secs Computing kpt #: 156 total cpu time spent up to now is 133.6 secs Computing kpt #: 157 total cpu time spent up to now is 134.4 secs Computing kpt #: 158 total cpu time spent up to now is 135.2 secs Computing kpt #: 159 total cpu time spent up to now is 136.0 secs Computing kpt #: 160 total cpu time spent up to now is 136.8 secs Computing kpt #: 161 total cpu time spent up to now is 137.6 secs Computing kpt #: 162 total cpu time spent up to now is 138.4 secs Computing kpt #: 163 total cpu time spent up to now is 139.2 secs Computing kpt #: 164 total cpu time spent up to now is 140.0 secs Computing kpt #: 165 total cpu time spent up to now is 140.8 secs Computing kpt #: 166 total cpu time spent up to now is 141.6 secs Computing kpt #: 167 total cpu time spent up to now is 142.3 secs Computing kpt #: 168 total cpu time spent up to now is 143.1 secs Computing kpt #: 169 total cpu time spent up to now is 143.9 secs Computing kpt #: 170 total cpu time spent up to now is 144.7 secs Computing kpt #: 171 total cpu time spent up to now is 145.5 secs Computing kpt #: 172 total cpu time spent up to now is 146.3 secs Computing kpt #: 173 total cpu time spent up to now is 147.1 secs Computing kpt #: 174 total cpu time spent up to now is 148.0 secs Computing kpt #: 175 total cpu time spent up to now is 148.8 secs Computing kpt #: 176 total cpu time spent up to now is 149.6 secs Computing kpt #: 177 total cpu time spent up to now is 150.4 secs Computing kpt #: 178 total cpu time spent up to now is 151.2 secs Computing kpt #: 179 total cpu time spent up to now is 152.1 secs Computing kpt #: 180 total cpu time spent up to now is 152.9 secs Computing kpt #: 181 total cpu time spent up to now is 153.7 secs Computing kpt #: 182 total cpu time spent up to now is 154.5 secs Computing kpt #: 183 total cpu time spent up to now is 155.3 secs Computing kpt #: 184 total cpu time spent up to now is 156.1 secs Computing kpt #: 185 total cpu time spent up to now is 157.0 secs Computing kpt #: 186 total cpu time spent up to now is 157.8 secs Computing kpt #: 187 total cpu time spent up to now is 158.6 secs Computing kpt #: 188 total cpu time spent up to now is 159.5 secs Computing kpt #: 189 total cpu time spent up to now is 160.3 secs Computing kpt #: 190 total cpu time spent up to now is 161.1 secs Computing kpt #: 191 total cpu time spent up to now is 162.0 secs Computing kpt #: 192 total cpu time spent up to now is 162.8 secs Computing kpt #: 193 total cpu time spent up to now is 163.7 secs Computing kpt #: 194 total cpu time spent up to now is 164.5 secs Computing kpt #: 195 total cpu time spent up to now is 165.4 secs Computing kpt #: 196 total cpu time spent up to now is 166.2 secs Computing kpt #: 197 total cpu time spent up to now is 167.1 secs Computing kpt #: 198 total cpu time spent up to now is 168.0 secs Computing kpt #: 199 total cpu time spent up to now is 168.8 secs Computing kpt #: 200 total cpu time spent up to now is 169.6 secs Computing kpt #: 201 total cpu time spent up to now is 170.5 secs Computing kpt #: 202 total cpu time spent up to now is 171.3 secs Computing kpt #: 203 total cpu time spent up to now is 172.3 secs Computing kpt #: 204 total cpu time spent up to now is 173.1 secs Computing kpt #: 205 total cpu time spent up to now is 173.9 secs Computing kpt #: 206 total cpu time spent up to now is 174.8 secs Computing kpt #: 207 total cpu time spent up to now is 175.6 secs Computing kpt #: 208 total cpu time spent up to now is 176.4 secs Computing kpt #: 209 total cpu time spent up to now is 177.2 secs Computing kpt #: 210 total cpu time spent up to now is 178.0 secs Computing kpt #: 211 total cpu time spent up to now is 178.8 secs Computing kpt #: 212 total cpu time spent up to now is 179.6 secs Computing kpt #: 213 total cpu time spent up to now is 180.4 secs Computing kpt #: 214 total cpu time spent up to now is 181.3 secs Computing kpt #: 215 total cpu time spent up to now is 182.2 secs Computing kpt #: 216 total cpu time spent up to now is 183.1 secs Computing kpt #: 217 total cpu time spent up to now is 184.1 secs Computing kpt #: 218 total cpu time spent up to now is 185.0 secs Computing kpt #: 219 total cpu time spent up to now is 185.8 secs Computing kpt #: 220 total cpu time spent up to now is 186.6 secs Computing kpt #: 221 total cpu time spent up to now is 187.5 secs Computing kpt #: 222 total cpu time spent up to now is 188.3 secs Computing kpt #: 223 total cpu time spent up to now is 189.1 secs Computing kpt #: 224 total cpu time spent up to now is 189.9 secs Computing kpt #: 225 total cpu time spent up to now is 190.7 secs Computing kpt #: 226 total cpu time spent up to now is 191.5 secs Computing kpt #: 227 total cpu time spent up to now is 192.3 secs Computing kpt #: 228 total cpu time spent up to now is 193.1 secs Computing kpt #: 229 total cpu time spent up to now is 193.8 secs Computing kpt #: 230 total cpu time spent up to now is 194.6 secs Computing kpt #: 231 total cpu time spent up to now is 195.4 secs Computing kpt #: 232 total cpu time spent up to now is 196.2 secs Computing kpt #: 233 total cpu time spent up to now is 196.9 secs Computing kpt #: 234 total cpu time spent up to now is 197.7 secs Computing kpt #: 235 total cpu time spent up to now is 198.5 secs Computing kpt #: 236 total cpu time spent up to now is 199.3 secs Computing kpt #: 237 total cpu time spent up to now is 200.1 secs Computing kpt #: 238 total cpu time spent up to now is 201.0 secs Computing kpt #: 239 total cpu time spent up to now is 201.8 secs Computing kpt #: 240 total cpu time spent up to now is 202.6 secs Computing kpt #: 241 total cpu time spent up to now is 203.4 secs Computing kpt #: 242 total cpu time spent up to now is 204.2 secs Computing kpt #: 243 total cpu time spent up to now is 205.0 secs Computing kpt #: 244 total cpu time spent up to now is 205.9 secs Computing kpt #: 245 total cpu time spent up to now is 206.7 secs Computing kpt #: 246 total cpu time spent up to now is 207.5 secs ethr = 1.92E-08, avg # of iterations = 19.4 total cpu time spent up to now is 207.5 secs End of band structure calculation k = 0.0000-0.4061-0.1235 ( 7388 PWs) bands (ev): -17.6855 -17.6855 -17.5447 -17.5447 -13.4997 -13.4997 -13.3442 -13.3442 -12.2937 -12.2937 -12.1737 -12.1737 -9.5808 -9.5808 -9.1983 -9.1983 -5.7156 -5.7156 -5.6749 -5.6749 -5.4338 -5.4338 -5.2201 -5.2201 -5.0204 -5.0204 -4.8948 -4.8948 -4.5695 -4.5695 -4.4378 -4.4378 -3.1724 -3.1724 -3.0776 -3.0776 -3.0497 -3.0497 -2.9182 -2.9182 -2.0136 -2.0136 -1.8037 -1.8037 0.1253 0.1253 0.2609 0.2609 0.7721 0.7721 1.0270 1.0270 5.4281 5.4281 5.4723 5.4723 5.9380 5.9380 6.5442 6.5442 7.0914 7.0914 k = 0.0000-0.3911-0.1189 ( 7393 PWs) bands (ev): -17.6855 -17.6855 -17.5446 -17.5446 -13.4996 -13.4996 -13.3442 -13.3442 -12.2937 -12.2937 -12.1736 -12.1736 -9.5805 -9.5805 -9.1985 -9.1985 -5.7158 -5.7158 -5.6748 -5.6748 -5.4342 -5.4342 -5.2202 -5.2202 -5.0206 -5.0206 -4.8941 -4.8941 -4.5695 -4.5695 -4.4377 -4.4377 -3.1725 -3.1725 -3.0778 -3.0778 -3.0494 -3.0494 -2.9184 -2.9184 -2.0139 -2.0139 -1.8040 -1.8040 0.1252 0.1252 0.2610 0.2610 0.7718 0.7718 1.0271 1.0271 5.4291 5.4291 5.4745 5.4745 5.9393 5.9393 6.5441 6.5441 7.0907 7.0907 k = 0.0000-0.3760-0.1143 ( 7391 PWs) bands (ev): -17.6857 -17.6857 -17.5445 -17.5445 -13.4995 -13.4995 -13.3444 -13.3444 -12.2937 -12.2937 -12.1736 -12.1736 -9.5794 -9.5794 -9.1990 -9.1990 -5.7160 -5.7160 -5.6744 -5.6744 -5.4353 -5.4353 -5.2206 -5.2206 -5.0213 -5.0213 -4.8922 -4.8922 -4.5696 -4.5696 -4.4375 -4.4375 -3.1727 -3.1727 -3.0786 -3.0786 -3.0486 -3.0486 -2.9191 -2.9191 -2.0148 -2.0148 -1.8051 -1.8051 0.1249 0.1249 0.2613 0.2613 0.7707 0.7707 1.0272 1.0272 5.4321 5.4321 5.4810 5.4810 5.9430 5.9430 6.5438 6.5438 7.0889 7.0889 k = 0.0000-0.3610-0.1098 ( 7387 PWs) bands (ev): -17.6860 -17.6860 -17.5443 -17.5443 -13.4993 -13.4993 -13.3448 -13.3448 -12.2936 -12.2936 -12.1736 -12.1736 -9.5777 -9.5777 -9.1998 -9.1998 -5.7165 -5.7165 -5.6738 -5.6738 -5.4371 -5.4371 -5.2211 -5.2211 -5.0224 -5.0224 -4.8889 -4.8889 -4.5697 -4.5697 -4.4371 -4.4371 -3.1730 -3.1730 -3.0799 -3.0799 -3.0473 -3.0473 -2.9201 -2.9201 -2.0163 -2.0163 -1.8069 -1.8069 0.1244 0.1244 0.2618 0.2618 0.7691 0.7691 1.0274 1.0274 5.4371 5.4371 5.4917 5.4917 5.9492 5.9492 6.5434 6.5434 7.0859 7.0859 k = 0.0000-0.3460-0.1052 ( 7385 PWs) bands (ev): -17.6863 -17.6863 -17.5439 -17.5439 -13.4990 -13.4990 -13.3452 -13.3452 -12.2935 -12.2935 -12.1735 -12.1735 -9.5753 -9.5753 -9.2010 -9.2010 -5.7171 -5.7171 -5.6729 -5.6729 -5.4395 -5.4395 -5.2219 -5.2219 -5.0240 -5.0240 -4.8845 -4.8845 -4.5698 -4.5698 -4.4365 -4.4365 -3.1734 -3.1734 -3.0815 -3.0815 -3.0457 -3.0457 -2.9215 -2.9215 -2.0183 -2.0183 -1.8095 -1.8095 0.1238 0.1238 0.2625 0.2625 0.7668 0.7668 1.0276 1.0276 5.4442 5.4442 5.5064 5.5064 5.9579 5.9579 6.5429 6.5429 7.0817 7.0817 k = 0.0000-0.3309-0.1006 ( 7386 PWs) bands (ev): -17.6868 -17.6868 -17.5435 -17.5435 -13.4986 -13.4986 -13.3458 -13.3458 -12.2933 -12.2933 -12.1735 -12.1735 -9.5722 -9.5722 -9.2025 -9.2025 -5.7180 -5.7180 -5.6719 -5.6719 -5.4424 -5.4424 -5.2228 -5.2228 -5.0260 -5.0260 -4.8790 -4.8790 -4.5700 -4.5700 -4.4359 -4.4359 -3.1739 -3.1739 -3.0834 -3.0834 -3.0439 -3.0439 -2.9234 -2.9234 -2.0207 -2.0207 -1.8127 -1.8127 0.1230 0.1230 0.2633 0.2633 0.7641 0.7641 1.0278 1.0278 5.4532 5.4532 5.5249 5.5249 5.9688 5.9688 6.5422 6.5422 7.0763 7.0763 k = 0.0000-0.3159-0.0960 ( 7386 PWs) bands (ev): -17.6874 -17.6874 -17.5431 -17.5431 -13.4981 -13.4981 -13.3464 -13.3464 -12.2932 -12.2932 -12.1734 -12.1734 -9.5685 -9.5685 -9.2043 -9.2043 -5.7191 -5.7191 -5.6706 -5.6706 -5.4458 -5.4458 -5.2240 -5.2240 -5.0284 -5.0284 -4.8725 -4.8725 -4.5702 -4.5702 -4.4351 -4.4351 -3.1745 -3.1745 -3.0854 -3.0854 -3.0419 -3.0419 -2.9256 -2.9256 -2.0236 -2.0236 -1.8167 -1.8167 0.1220 0.1220 0.2643 0.2643 0.7609 0.7609 1.0279 1.0279 5.4641 5.4641 5.5471 5.5471 5.9820 5.9820 6.5414 6.5414 7.0698 7.0698 k = 0.0000-0.3008-0.0915 ( 7386 PWs) bands (ev): -17.6880 -17.6880 -17.5425 -17.5425 -13.4976 -13.4976 -13.3472 -13.3472 -12.2930 -12.2930 -12.1733 -12.1733 -9.5642 -9.5642 -9.2065 -9.2065 -5.7204 -5.7204 -5.6690 -5.6690 -5.4494 -5.4494 -5.2254 -5.2254 -5.0312 -5.0312 -4.8651 -4.8651 -4.5704 -4.5704 -4.4342 -4.4342 -3.1751 -3.1751 -3.0876 -3.0876 -3.0398 -3.0398 -2.9282 -2.9282 -2.0267 -2.0267 -1.8213 -1.8213 0.1210 0.1210 0.2654 0.2654 0.7575 0.7575 1.0278 1.0278 5.4768 5.4768 5.5727 5.5727 5.9972 5.9972 6.5405 6.5405 7.0622 7.0622 k = 0.0000-0.2858-0.0869 ( 7387 PWs) bands (ev): -17.6887 -17.6887 -17.5420 -17.5420 -13.4970 -13.4970 -13.3481 -13.3481 -12.2928 -12.2928 -12.1732 -12.1732 -9.5593 -9.5593 -9.2090 -9.2090 -5.7219 -5.7219 -5.6672 -5.6672 -5.4533 -5.4533 -5.2269 -5.2269 -5.0344 -5.0344 -4.8569 -4.8569 -4.5706 -4.5706 -4.4333 -4.4333 -3.1758 -3.1758 -3.0898 -3.0898 -3.0377 -3.0377 -2.9311 -2.9311 -2.0301 -2.0301 -1.8266 -1.8266 0.1199 0.1199 0.2666 0.2666 0.7539 0.7539 1.0276 1.0276 5.4910 5.4910 5.6015 5.6015 6.0145 6.0145 6.5396 6.5396 7.0535 7.0535 k = 0.0000-0.2707-0.0823 ( 7388 PWs) bands (ev): -17.6895 -17.6895 -17.5413 -17.5413 -13.4963 -13.4963 -13.3491 -13.3491 -12.2926 -12.2926 -12.1730 -12.1730 -9.5538 -9.5538 -9.2118 -9.2118 -5.7238 -5.7238 -5.6652 -5.6652 -5.4573 -5.4573 -5.2285 -5.2285 -5.0380 -5.0380 -4.8481 -4.8481 -4.5708 -4.5708 -4.4323 -4.4323 -3.1765 -3.1765 -3.0920 -3.0920 -3.0357 -3.0357 -2.9343 -2.9343 -2.0336 -2.0336 -1.8326 -1.8326 0.1188 0.1188 0.2679 0.2679 0.7502 0.7502 1.0271 1.0271 5.5066 5.5066 5.6332 5.6332 6.0335 6.0335 6.5386 6.5386 7.0438 7.0438 k = 0.0000-0.2557-0.0777 ( 7386 PWs) bands (ev): -17.6903 -17.6903 -17.5406 -17.5406 -13.4956 -13.4956 -13.3501 -13.3501 -12.2923 -12.2923 -12.1729 -12.1729 -9.5478 -9.5478 -9.2150 -9.2150 -5.7259 -5.7259 -5.6629 -5.6629 -5.4613 -5.4613 -5.2301 -5.2301 -5.0420 -5.0420 -4.8387 -4.8387 -4.5710 -4.5710 -4.4313 -4.4313 -3.1772 -3.1772 -3.0942 -3.0942 -3.0337 -3.0337 -2.9377 -2.9377 -2.0371 -2.0371 -1.8392 -1.8392 0.1176 0.1176 0.2692 0.2692 0.7466 0.7466 1.0264 1.0264 5.5233 5.5233 5.6676 5.6676 6.0542 6.0542 6.5376 6.5376 7.0331 7.0331 k = 0.0000-0.2407-0.0732 ( 7386 PWs) bands (ev): -17.6912 -17.6912 -17.5399 -17.5399 -13.4948 -13.4948 -13.3513 -13.3513 -12.2921 -12.2921 -12.1727 -12.1727 -9.5414 -9.5414 -9.2185 -9.2185 -5.7284 -5.7284 -5.6604 -5.6604 -5.4654 -5.4654 -5.2317 -5.2317 -5.0462 -5.0462 -4.8290 -4.8290 -4.5712 -4.5712 -4.4303 -4.4303 -3.1779 -3.1779 -3.0963 -3.0963 -3.0319 -3.0319 -2.9413 -2.9413 -2.0405 -2.0405 -1.8463 -1.8463 0.1165 0.1165 0.2705 0.2705 0.7430 0.7430 1.0254 1.0254 5.5410 5.5410 5.7044 5.7044 6.0763 6.0763 6.5365 6.5365 7.0215 7.0215 k = 0.0000-0.2256-0.0686 ( 7383 PWs) bands (ev): -17.6920 -17.6920 -17.5392 -17.5392 -13.4940 -13.4940 -13.3524 -13.3524 -12.2918 -12.2918 -12.1726 -12.1726 -9.5345 -9.5345 -9.2223 -9.2223 -5.7311 -5.7311 -5.6575 -5.6575 -5.4695 -5.4695 -5.2332 -5.2332 -5.0507 -5.0507 -4.8192 -4.8192 -4.5714 -4.5714 -4.4293 -4.4293 -3.1786 -3.1786 -3.0983 -3.0983 -3.0303 -3.0303 -2.9451 -2.9451 -2.0438 -2.0438 -1.8539 -1.8539 0.1153 0.1153 0.2719 0.2719 0.7396 0.7396 1.0241 1.0241 5.5592 5.5592 5.7432 5.7432 6.0998 6.0998 6.5354 6.5354 7.0090 7.0090 k = 0.0000-0.2106-0.0640 ( 7381 PWs) bands (ev): -17.6929 -17.6929 -17.5385 -17.5385 -13.4932 -13.4932 -13.3537 -13.3537 -12.2916 -12.2916 -12.1724 -12.1724 -9.5272 -9.5272 -9.2264 -9.2264 -5.7340 -5.7340 -5.6543 -5.6543 -5.4736 -5.4736 -5.2345 -5.2345 -5.0555 -5.0555 -4.8092 -4.8092 -4.5715 -4.5715 -4.4283 -4.4283 -3.1793 -3.1793 -3.1002 -3.1002 -3.0291 -3.0291 -2.9488 -2.9488 -2.0469 -2.0469 -1.8619 -1.8619 0.1143 0.1143 0.2732 0.2732 0.7365 0.7365 1.0226 1.0226 5.5779 5.5779 5.7839 5.7839 6.1244 6.1244 6.5342 6.5342 6.9955 6.9955 k = 0.0000-0.1955-0.0595 ( 7391 PWs) bands (ev): -17.6938 -17.6938 -17.5378 -17.5378 -13.4923 -13.4923 -13.3549 -13.3549 -12.2914 -12.2914 -12.1722 -12.1722 -9.5197 -9.5197 -9.2308 -9.2308 -5.7372 -5.7372 -5.6509 -5.6509 -5.4778 -5.4778 -5.2356 -5.2356 -5.0604 -5.0604 -4.7993 -4.7993 -4.5717 -4.5717 -4.4274 -4.4274 -3.1800 -3.1800 -3.1018 -3.1018 -3.0282 -3.0282 -2.9525 -2.9525 -2.0498 -2.0498 -1.8703 -1.8703 0.1133 0.1133 0.2746 0.2746 0.7336 0.7336 1.0207 1.0207 5.5966 5.5966 5.8259 5.8259 6.1499 6.1499 6.5327 6.5327 6.9814 6.9814 k = 0.0000-0.1805-0.0549 ( 7396 PWs) bands (ev): -17.6946 -17.6946 -17.5371 -17.5371 -13.4914 -13.4914 -13.3562 -13.3562 -12.2911 -12.2911 -12.1720 -12.1720 -9.5119 -9.5119 -9.2355 -9.2355 -5.7405 -5.7405 -5.6472 -5.6472 -5.4820 -5.4820 -5.2364 -5.2364 -5.0655 -5.0655 -4.7896 -4.7896 -4.5718 -4.5718 -4.4265 -4.4265 -3.1807 -3.1807 -3.1032 -3.1032 -3.0279 -3.0279 -2.9559 -2.9559 -2.0523 -2.0523 -1.8788 -1.8788 0.1123 0.1123 0.2758 0.2758 0.7310 0.7310 1.0186 1.0186 5.6152 5.6152 5.8689 5.8689 6.1762 6.1762 6.5310 6.5310 6.9665 6.9665 k = 0.0000-0.1655-0.0503 ( 7396 PWs) bands (ev): -17.6955 -17.6955 -17.5364 -17.5364 -13.4905 -13.4905 -13.3574 -13.3574 -12.2909 -12.2909 -12.1719 -12.1719 -9.5040 -9.5040 -9.2404 -9.2404 -5.7440 -5.7440 -5.6432 -5.6432 -5.4862 -5.4862 -5.2369 -5.2369 -5.0707 -5.0707 -4.7802 -4.7802 -4.5719 -4.5719 -4.4257 -4.4257 -3.1813 -3.1813 -3.1043 -3.1043 -3.0280 -3.0280 -2.9590 -2.9590 -2.0544 -2.0544 -1.8875 -1.8875 0.1115 0.1115 0.2771 0.2771 0.7289 0.7289 1.0163 1.0163 5.6334 5.6334 5.9127 5.9127 6.2031 6.2031 6.5290 6.5290 6.9511 6.9511 k = 0.0000-0.1504-0.0457 ( 7395 PWs) bands (ev): -17.6963 -17.6963 -17.5357 -17.5357 -13.4896 -13.4896 -13.3586 -13.3586 -12.2907 -12.2907 -12.1717 -12.1717 -9.4959 -9.4959 -9.2454 -9.2454 -5.7474 -5.7474 -5.6389 -5.6389 -5.4905 -5.4905 -5.2370 -5.2370 -5.0759 -5.0759 -4.7712 -4.7712 -4.5720 -4.5720 -4.4249 -4.4249 -3.1820 -3.1820 -3.1051 -3.1051 -3.0288 -3.0288 -2.9618 -2.9618 -2.0562 -2.0562 -1.8961 -1.8961 0.1107 0.1107 0.2782 0.2782 0.7270 0.7270 1.0139 1.0139 5.6508 5.6508 5.9568 5.9568 6.2303 6.2303 6.5263 6.5263 6.9352 6.9352 k = 0.0000-0.1354-0.0412 ( 7398 PWs) bands (ev): -17.6970 -17.6970 -17.5351 -17.5351 -13.4888 -13.4888 -13.3598 -13.3598 -12.2905 -12.2905 -12.1715 -12.1715 -9.4879 -9.4879 -9.2506 -9.2506 -5.7508 -5.7508 -5.6345 -5.6345 -5.4949 -5.4949 -5.2368 -5.2368 -5.0811 -5.0811 -4.7627 -4.7627 -4.5721 -4.5721 -4.4242 -4.4242 -3.1826 -3.1826 -3.1055 -3.1055 -3.0302 -3.0302 -2.9640 -2.9640 -2.0576 -2.0576 -1.9046 -1.9046 0.1100 0.1100 0.2793 0.2793 0.7255 0.7255 1.0113 1.0113 5.6672 5.6672 6.0008 6.0008 6.2575 6.2575 6.5230 6.5230 6.9192 6.9192 k = 0.0000-0.1203-0.0366 ( 7400 PWs) bands (ev): -17.6977 -17.6977 -17.5346 -17.5346 -13.4880 -13.4880 -13.3609 -13.3609 -12.2903 -12.2903 -12.1714 -12.1714 -9.4801 -9.4801 -9.2558 -9.2558 -5.7540 -5.7540 -5.6300 -5.6300 -5.4993 -5.4993 -5.2363 -5.2363 -5.0861 -5.0861 -4.7549 -4.7549 -4.5722 -4.5722 -4.4235 -4.4235 -3.1833 -3.1833 -3.1056 -3.1056 -3.0322 -3.0322 -2.9657 -2.9657 -2.0586 -2.0586 -1.9129 -1.9129 0.1095 0.1095 0.2803 0.2803 0.7243 0.7243 1.0088 1.0088 5.6825 5.6825 6.0444 6.0444 6.2843 6.2843 6.5189 6.5189 6.9032 6.9032 k = 0.0000-0.1053-0.0320 ( 7398 PWs) bands (ev): -17.6984 -17.6984 -17.5340 -17.5340 -13.4872 -13.4872 -13.3619 -13.3619 -12.2901 -12.2901 -12.1712 -12.1712 -9.4725 -9.4725 -9.2610 -9.2610 -5.7571 -5.7571 -5.6254 -5.6254 -5.5037 -5.5037 -5.2356 -5.2356 -5.0909 -5.0909 -4.7477 -4.7477 -4.5723 -4.5723 -4.4229 -4.4229 -3.1839 -3.1839 -3.1053 -3.1053 -3.0347 -3.0347 -2.9670 -2.9670 -2.0592 -2.0592 -1.9207 -1.9207 0.1089 0.1089 0.2811 0.2811 0.7234 0.7234 1.0063 1.0063 5.6963 5.6963 6.0873 6.0873 6.3099 6.3099 6.5139 6.5139 6.8876 6.8876 k = 0.0000-0.0902-0.0274 ( 7401 PWs) bands (ev): -17.6990 -17.6990 -17.5336 -17.5336 -13.4866 -13.4866 -13.3629 -13.3629 -12.2900 -12.2900 -12.1711 -12.1711 -9.4654 -9.4654 -9.2660 -9.2660 -5.7599 -5.7599 -5.6209 -5.6209 -5.5080 -5.5080 -5.2346 -5.2346 -5.0954 -5.0954 -4.7414 -4.7414 -4.5723 -4.5723 -4.4224 -4.4224 -3.1845 -3.1845 -3.1047 -3.1047 -3.0375 -3.0375 -2.9679 -2.9679 -2.0595 -2.0595 -1.9280 -1.9280 0.1085 0.1085 0.2819 0.2819 0.7227 0.7227 1.0039 1.0039 5.7086 5.7086 6.1290 6.1290 6.3334 6.3334 6.5083 6.5083 6.8727 6.8727 k = 0.0000-0.0752-0.0229 ( 7401 PWs) bands (ev): -17.6995 -17.6995 -17.5332 -17.5332 -13.4859 -13.4859 -13.3637 -13.3637 -12.2898 -12.2898 -12.1710 -12.1710 -9.4588 -9.4588 -9.2707 -9.2707 -5.7624 -5.7624 -5.6165 -5.6165 -5.5122 -5.5122 -5.2336 -5.2336 -5.0994 -5.0994 -4.7359 -4.7359 -4.5724 -4.5724 -4.4220 -4.4220 -3.1850 -3.1850 -3.1039 -3.1039 -3.0404 -3.0404 -2.9684 -2.9684 -2.0595 -2.0595 -1.9345 -1.9345 0.1082 0.1082 0.2826 0.2826 0.7222 0.7222 1.0017 1.0017 5.7192 5.7192 6.1693 6.1693 6.3532 6.3532 6.5026 6.5026 6.8589 6.8589 k = 0.0000-0.0602-0.0183 ( 7408 PWs) bands (ev): -17.6999 -17.6999 -17.5328 -17.5328 -13.4854 -13.4854 -13.3644 -13.3644 -12.2897 -12.2897 -12.1709 -12.1709 -9.4530 -9.4530 -9.2749 -9.2749 -5.7645 -5.7645 -5.6125 -5.6125 -5.5161 -5.5161 -5.2325 -5.2325 -5.1030 -5.1030 -4.7313 -4.7313 -4.5725 -4.5725 -4.4216 -4.4216 -3.1855 -3.1855 -3.1029 -3.1029 -3.0432 -3.0432 -2.9688 -2.9688 -2.0594 -2.0594 -1.9402 -1.9402 0.1079 0.1079 0.2831 0.2831 0.7219 0.7219 0.9998 0.9998 5.7279 5.7279 6.2076 6.2076 6.3670 6.3670 6.4980 6.4980 6.8468 6.8468 k = 0.0000-0.0451-0.0137 ( 7410 PWs) bands (ev): -17.7002 -17.7002 -17.5326 -17.5326 -13.4850 -13.4850 -13.3650 -13.3650 -12.2896 -12.2896 -12.1708 -12.1708 -9.4482 -9.4482 -9.2784 -9.2784 -5.7661 -5.7661 -5.6091 -5.6091 -5.5194 -5.5194 -5.2315 -5.2315 -5.1059 -5.1059 -4.7277 -4.7277 -4.5725 -4.5725 -4.4213 -4.4213 -3.1859 -3.1859 -3.1019 -3.1019 -3.0458 -3.0458 -2.9689 -2.9689 -2.0591 -2.0591 -1.9448 -1.9448 0.1077 0.1077 0.2836 0.2836 0.7218 0.7218 0.9983 0.9983 5.7348 5.7348 6.2438 6.2438 6.3725 6.3725 6.4957 6.4957 6.8366 6.8366 k = 0.0000-0.0301-0.0091 ( 7410 PWs) bands (ev): -17.7004 -17.7004 -17.5324 -17.5324 -13.4847 -13.4847 -13.3654 -13.3654 -12.2896 -12.2896 -12.1707 -12.1707 -9.4446 -9.4446 -9.2811 -9.2811 -5.7674 -5.7674 -5.6064 -5.6064 -5.5220 -5.5220 -5.2307 -5.2307 -5.1080 -5.1080 -4.7251 -4.7251 -4.5725 -4.5725 -4.4211 -4.4211 -3.1862 -3.1862 -3.1011 -3.1011 -3.0478 -3.0478 -2.9690 -2.9690 -2.0588 -2.0588 -1.9482 -1.9482 0.1075 0.1075 0.2839 0.2839 0.7217 0.7217 0.9971 0.9971 5.7397 5.7397 6.2771 6.2771 6.3682 6.3682 6.4961 6.4961 6.8290 6.8290 k = 0.0000-0.0150-0.0046 ( 7406 PWs) bands (ev): -17.7006 -17.7006 -17.5323 -17.5323 -13.4845 -13.4845 -13.3656 -13.3656 -12.2895 -12.2895 -12.1707 -12.1707 -9.4423 -9.4423 -9.2828 -9.2828 -5.7681 -5.7681 -5.6046 -5.6046 -5.5237 -5.5237 -5.2302 -5.2302 -5.1094 -5.1094 -4.7235 -4.7235 -4.5726 -4.5726 -4.4210 -4.4210 -3.1864 -3.1864 -3.1005 -3.1005 -3.0492 -3.0492 -2.9691 -2.9691 -2.0586 -2.0586 -1.9503 -1.9503 0.1074 0.1074 0.2841 0.2841 0.7216 0.7216 0.9964 0.9964 5.7427 5.7427 6.3068 6.3068 6.3552 6.3552 6.4977 6.4977 6.8242 6.8242 k = 0.0000 0.0000 0.0000 ( 7403 PWs) bands (ev): -17.7006 -17.7006 -17.5322 -17.5322 -13.4845 -13.4845 -13.3657 -13.3657 -12.2895 -12.2895 -12.1707 -12.1707 -9.4416 -9.4416 -9.2834 -9.2834 -5.7683 -5.7683 -5.6040 -5.6040 -5.5243 -5.5243 -5.2300 -5.2300 -5.1098 -5.1098 -4.7230 -4.7230 -4.5726 -4.5726 -4.4210 -4.4210 -3.1865 -3.1865 -3.1002 -3.1002 -3.0496 -3.0496 -2.9691 -2.9691 -2.0585 -2.0585 -1.9510 -1.9510 0.1074 0.1074 0.2841 0.2841 0.7216 0.7216 0.9962 0.9962 5.7437 5.7437 6.3271 6.3271 6.3403 6.3403 6.4985 6.4985 6.8225 6.8225 k = 0.0000 0.0000 0.0000 ( 7403 PWs) bands (ev): -17.7006 -17.7006 -17.5322 -17.5322 -13.4845 -13.4845 -13.3657 -13.3657 -12.2895 -12.2895 -12.1707 -12.1707 -9.4416 -9.4416 -9.2834 -9.2834 -5.7683 -5.7683 -5.6040 -5.6040 -5.5243 -5.5243 -5.2300 -5.2300 -5.1098 -5.1098 -4.7230 -4.7230 -4.5726 -4.5726 -4.4210 -4.4210 -3.1865 -3.1865 -3.1002 -3.1002 -3.0496 -3.0496 -2.9691 -2.9691 -2.0585 -2.0585 -1.9510 -1.9510 0.1074 0.1074 0.2841 0.2841 0.7216 0.7216 0.9962 0.9962 5.7437 5.7437 6.3271 6.3271 6.3403 6.3403 6.4985 6.4985 6.8225 6.8225 k = 0.0156 0.0012 0.0004 ( 7408 PWs) bands (ev): -17.7004 -17.7004 -17.5321 -17.5321 -13.4853 -13.4853 -13.3658 -13.3658 -12.2894 -12.2894 -12.1707 -12.1707 -9.4416 -9.4416 -9.2835 -9.2835 -5.7679 -5.7679 -5.6034 -5.6034 -5.5236 -5.5236 -5.2301 -5.2301 -5.1098 -5.1098 -4.7234 -4.7234 -4.5729 -4.5729 -4.4210 -4.4210 -3.1874 -3.1874 -3.1004 -3.1004 -3.0487 -3.0487 -2.9689 -2.9689 -2.0589 -2.0589 -1.9498 -1.9498 0.1076 0.1076 0.2843 0.2843 0.7215 0.7215 0.9958 0.9958 5.7436 5.7436 6.3230 6.3230 6.3429 6.3429 6.4984 6.4984 6.8239 6.8239 k = 0.0312 0.0023 0.0008 ( 7405 PWs) bands (ev): -17.6999 -17.6999 -17.5318 -17.5318 -13.4878 -13.4878 -13.3661 -13.3661 -12.2892 -12.2892 -12.1707 -12.1707 -9.4417 -9.4417 -9.2837 -9.2837 -5.7664 -5.7664 -5.6018 -5.6018 -5.5215 -5.5215 -5.2302 -5.2302 -5.1096 -5.1096 -4.7246 -4.7246 -4.5738 -4.5738 -4.4213 -4.4213 -3.1901 -3.1901 -3.1009 -3.1009 -3.0460 -3.0460 -2.9683 -2.9683 -2.0600 -2.0600 -1.9464 -1.9464 0.1084 0.1084 0.2847 0.2847 0.7213 0.7213 0.9949 0.9949 5.7432 5.7432 6.3144 6.3144 6.3472 6.3472 6.4981 6.4981 6.8279 6.8279 k = 0.0469 0.0035 0.0012 ( 7404 PWs) bands (ev): -17.6991 -17.6991 -17.5312 -17.5312 -13.4918 -13.4918 -13.3665 -13.3665 -12.2887 -12.2887 -12.1707 -12.1707 -9.4418 -9.4418 -9.2841 -9.2841 -5.7640 -5.7640 -5.5990 -5.5990 -5.5181 -5.5181 -5.2304 -5.2304 -5.1094 -5.1094 -4.7266 -4.7266 -4.5752 -4.5752 -4.4216 -4.4216 -3.1943 -3.1943 -3.1016 -3.1016 -3.0420 -3.0420 -2.9673 -2.9673 -2.0615 -2.0615 -1.9408 -1.9408 0.1098 0.1098 0.2854 0.2854 0.7210 0.7210 0.9933 0.9933 5.7425 5.7425 6.3039 6.3039 6.3504 6.3504 6.4977 6.4977 6.8344 6.8344 k = 0.0625 0.0046 0.0016 ( 7413 PWs) bands (ev): -17.6980 -17.6980 -17.5304 -17.5304 -13.4973 -13.4973 -13.3673 -13.3673 -12.2881 -12.2881 -12.1707 -12.1707 -9.4420 -9.4420 -9.2846 -9.2846 -5.7607 -5.7607 -5.5952 -5.5952 -5.5133 -5.5133 -5.2306 -5.2306 -5.1090 -5.1090 -4.7295 -4.7295 -4.5773 -4.5773 -4.4221 -4.4221 -3.1999 -3.1999 -3.1023 -3.1023 -3.0369 -3.0369 -2.9659 -2.9659 -2.0632 -2.0632 -1.9335 -1.9335 0.1116 0.1116 0.2863 0.2863 0.7205 0.7205 0.9910 0.9910 5.7415 5.7415 6.2918 6.2918 6.3521 6.3521 6.4973 6.4973 6.8432 6.8432 k = 0.0781 0.0058 0.0020 ( 7412 PWs) bands (ev): -17.6965 -17.6965 -17.5294 -17.5294 -13.5042 -13.5042 -13.3684 -13.3684 -12.2873 -12.2873 -12.1708 -12.1708 -9.4422 -9.4422 -9.2852 -9.2852 -5.7565 -5.7565 -5.5905 -5.5905 -5.5074 -5.5074 -5.2308 -5.2308 -5.1083 -5.1083 -4.7331 -4.7331 -4.5799 -4.5799 -4.4228 -4.4228 -3.2065 -3.2065 -3.1029 -3.1029 -3.0312 -3.0312 -2.9641 -2.9641 -2.0649 -2.0649 -1.9247 -1.9247 0.1139 0.1139 0.2875 0.2875 0.7198 0.7198 0.9882 0.9882 5.7402 5.7402 6.2783 6.2783 6.3519 6.3519 6.4973 6.4973 6.8538 6.8538 k = 0.0938 0.0069 0.0024 ( 7411 PWs) bands (ev): -17.6947 -17.6947 -17.5281 -17.5281 -13.5123 -13.5123 -13.3699 -13.3699 -12.2863 -12.2863 -12.1708 -12.1708 -9.4424 -9.4424 -9.2861 -9.2861 -5.7515 -5.7515 -5.5849 -5.5849 -5.5003 -5.5003 -5.2309 -5.2309 -5.1075 -5.1075 -4.7376 -4.7376 -4.5831 -4.5831 -4.4235 -4.4235 -3.2139 -3.2139 -3.1033 -3.1033 -3.0252 -3.0252 -2.9619 -2.9619 -2.0663 -2.0663 -1.9147 -1.9147 0.1166 0.1166 0.2889 0.2889 0.7190 0.7190 0.9847 0.9847 5.7385 5.7385 6.2635 6.2635 6.3496 6.3496 6.4977 6.4977 6.8659 6.8659 k = 0.1094 0.0081 0.0028 ( 7410 PWs) bands (ev): -17.6927 -17.6927 -17.5267 -17.5267 -13.5215 -13.5215 -13.3718 -13.3718 -12.2852 -12.2852 -12.1709 -12.1709 -9.4425 -9.4425 -9.2871 -9.2871 -5.7458 -5.7458 -5.5785 -5.5785 -5.4924 -5.4924 -5.2308 -5.2308 -5.1063 -5.1063 -4.7427 -4.7427 -4.5868 -4.5868 -4.4243 -4.4243 -3.2218 -3.2218 -3.1035 -3.1035 -3.0192 -3.0192 -2.9592 -2.9592 -2.0672 -2.0672 -1.9037 -1.9037 0.1198 0.1198 0.2906 0.2906 0.7179 0.7179 0.9806 0.9806 5.7364 5.7364 6.2472 6.2472 6.3450 6.3450 6.4988 6.4988 6.8786 6.8786 k = 0.1250 0.0092 0.0032 ( 7409 PWs) bands (ev): -17.6904 -17.6904 -17.5251 -17.5251 -13.5317 -13.5317 -13.3742 -13.3742 -12.2839 -12.2839 -12.1709 -12.1709 -9.4426 -9.4426 -9.2883 -9.2883 -5.7394 -5.7394 -5.5717 -5.5717 -5.4836 -5.4836 -5.2305 -5.2305 -5.1047 -5.1047 -4.7486 -4.7486 -4.5910 -4.5910 -4.4251 -4.4251 -3.2300 -3.2300 -3.1035 -3.1035 -3.0132 -3.0132 -2.9560 -2.9560 -2.0676 -2.0676 -1.8919 -1.8919 0.1234 0.1234 0.2924 0.2924 0.7167 0.7167 0.9759 0.9759 5.7339 5.7339 6.2295 6.2295 6.3377 6.3377 6.5006 6.5006 6.8902 6.8902 k = 0.1406 0.0104 0.0036 ( 7406 PWs) bands (ev): -17.6878 -17.6878 -17.5234 -17.5234 -13.5426 -13.5426 -13.3770 -13.3770 -12.2825 -12.2825 -12.1710 -12.1710 -9.4426 -9.4426 -9.2896 -9.2896 -5.7325 -5.7325 -5.5644 -5.5644 -5.4740 -5.4740 -5.2300 -5.2300 -5.1026 -5.1026 -4.7553 -4.7553 -4.5957 -4.5957 -4.4260 -4.4260 -3.2382 -3.2382 -3.1032 -3.1032 -3.0075 -3.0075 -2.9524 -2.9524 -2.0673 -2.0673 -1.8795 -1.8795 0.1273 0.1273 0.2944 0.2944 0.7152 0.7152 0.9707 0.9707 5.7307 5.7307 6.2100 6.2100 6.3277 6.3277 6.5031 6.5031 6.8901 6.8901 k = 0.1562 0.0115 0.0040 ( 7397 PWs) bands (ev): -17.6850 -17.6850 -17.5214 -17.5214 -13.5543 -13.5543 -13.3803 -13.3803 -12.2809 -12.2809 -12.1711 -12.1711 -9.4424 -9.4424 -9.2912 -9.2912 -5.7251 -5.7251 -5.5570 -5.5570 -5.4639 -5.4639 -5.2290 -5.2290 -5.1000 -5.1000 -4.7626 -4.7626 -4.6008 -4.6008 -4.4269 -4.4269 -3.2464 -3.2464 -3.1027 -3.1027 -3.0020 -3.0020 -2.9485 -2.9485 -2.0663 -2.0663 -1.8667 -1.8667 0.1315 0.1315 0.2965 0.2965 0.7136 0.7136 0.9649 0.9649 5.7269 5.7269 6.1884 6.1884 6.3152 6.3152 6.5064 6.5064 6.8599 6.8599 k = 0.1719 0.0127 0.0044 ( 7402 PWs) bands (ev): -17.6820 -17.6820 -17.5194 -17.5194 -13.5665 -13.5665 -13.3840 -13.3840 -12.2792 -12.2792 -12.1712 -12.1712 -9.4421 -9.4421 -9.2930 -9.2930 -5.7173 -5.7173 -5.5497 -5.5497 -5.4533 -5.4533 -5.2276 -5.2276 -5.0967 -5.0967 -4.7705 -4.7705 -4.6063 -4.6063 -4.4278 -4.4278 -3.2543 -3.2543 -3.1019 -3.1019 -2.9968 -2.9968 -2.9444 -2.9444 -2.0646 -2.0646 -1.8534 -1.8534 0.1360 0.1360 0.2987 0.2987 0.7117 0.7117 0.9585 0.9585 5.7222 5.7222 6.1642 6.1642 6.3003 6.3003 6.5103 6.5103 6.8233 6.8233 k = 0.1875 0.0138 0.0048 ( 7406 PWs) bands (ev): -17.6788 -17.6788 -17.5172 -17.5172 -13.5792 -13.5792 -13.3881 -13.3881 -12.2775 -12.2775 -12.1714 -12.1714 -9.4417 -9.4417 -9.2951 -9.2951 -5.7092 -5.7092 -5.5427 -5.5427 -5.4422 -5.4422 -5.2258 -5.2258 -5.0928 -5.0928 -4.7791 -4.7791 -4.6121 -4.6121 -4.4287 -4.4287 -3.2618 -3.2618 -3.1009 -3.1009 -2.9919 -2.9919 -2.9401 -2.9401 -2.0622 -2.0622 -1.8400 -1.8400 0.1407 0.1407 0.3010 0.3010 0.7097 0.7097 0.9516 0.9516 5.7166 5.7166 6.1369 6.1369 6.2836 6.2836 6.5147 6.5147 6.7887 6.7887 k = 0.2031 0.0150 0.0052 ( 7402 PWs) bands (ev): -17.6755 -17.6755 -17.5150 -17.5150 -13.5922 -13.5922 -13.3926 -13.3926 -12.2756 -12.2756 -12.1716 -12.1716 -9.4409 -9.4409 -9.2973 -9.2973 -5.7008 -5.7008 -5.5363 -5.5363 -5.4306 -5.4306 -5.2236 -5.2236 -5.0883 -5.0883 -4.7881 -4.7881 -4.6182 -4.6182 -4.4295 -4.4295 -3.2687 -3.2687 -3.0996 -3.0996 -2.9872 -2.9872 -2.9358 -2.9358 -2.0591 -2.0591 -1.8264 -1.8264 0.1456 0.1456 0.3034 0.3034 0.7075 0.7075 0.9442 0.9442 5.7099 5.7099 6.1060 6.1060 6.2659 6.2659 6.5195 6.5195 6.7576 6.7576 k = 0.2188 0.0161 0.0056 ( 7403 PWs) bands (ev): -17.6721 -17.6721 -17.5126 -17.5126 -13.6054 -13.6054 -13.3974 -13.3974 -12.2736 -12.2736 -12.1718 -12.1718 -9.4400 -9.4400 -9.2998 -9.2998 -5.6923 -5.6923 -5.5306 -5.5306 -5.4187 -5.4187 -5.2210 -5.2210 -5.0830 -5.0830 -4.7977 -4.7977 -4.6245 -4.6245 -4.4304 -4.4304 -3.2750 -3.2750 -3.0980 -3.0980 -2.9828 -2.9828 -2.9316 -2.9316 -2.0553 -2.0553 -1.8128 -1.8128 0.1505 0.1505 0.3057 0.3057 0.7053 0.7053 0.9362 0.9362 5.7019 5.7019 6.0712 6.0712 6.2480 6.2480 6.5245 6.5245 6.7305 6.7305 k = 0.2344 0.0173 0.0060 ( 7394 PWs) bands (ev): -17.6686 -17.6686 -17.5102 -17.5102 -13.6186 -13.6186 -13.4025 -13.4025 -12.2716 -12.2716 -12.1720 -12.1720 -9.4388 -9.4388 -9.3025 -9.3025 -5.6838 -5.6838 -5.5258 -5.5258 -5.4063 -5.4063 -5.2181 -5.2181 -5.0772 -5.0772 -4.8076 -4.8076 -4.6309 -4.6309 -4.4312 -4.4312 -3.2806 -3.2806 -3.0962 -3.0962 -2.9785 -2.9785 -2.9276 -2.9276 -2.0509 -2.0509 -1.7992 -1.7992 0.1556 0.1556 0.3081 0.3081 0.7030 0.7030 0.9277 0.9277 5.6924 5.6924 6.0325 6.0325 6.2307 6.2307 6.5296 6.5296 6.7073 6.7073 k = 0.2500 0.0184 0.0064 ( 7391 PWs) bands (ev): -17.6650 -17.6650 -17.5078 -17.5078 -13.6318 -13.6318 -13.4078 -13.4078 -12.2695 -12.2695 -12.1722 -12.1722 -9.4373 -9.4373 -9.3055 -9.3055 -5.6753 -5.6753 -5.5220 -5.5220 -5.3934 -5.3934 -5.2149 -5.2149 -5.0709 -5.0709 -4.8179 -4.8179 -4.6374 -4.6374 -4.4320 -4.4320 -3.2853 -3.2853 -3.0942 -3.0942 -2.9744 -2.9744 -2.9238 -2.9238 -2.0460 -2.0460 -1.7857 -1.7857 0.1606 0.1606 0.3104 0.3104 0.7008 0.7008 0.9187 0.9187 5.6812 5.6812 5.9906 5.9906 6.2145 6.2145 6.5347 6.5347 6.6878 6.6878 k = 0.2656 0.0196 0.0068 ( 7389 PWs) bands (ev): -17.6615 -17.6615 -17.5054 -17.5054 -13.6449 -13.6449 -13.4133 -13.4133 -12.2674 -12.2674 -12.1725 -12.1725 -9.4356 -9.4356 -9.3087 -9.3087 -5.6669 -5.6669 -5.5191 -5.5191 -5.3803 -5.3803 -5.2114 -5.2114 -5.0643 -5.0643 -4.8283 -4.8283 -4.6439 -4.6439 -4.4328 -4.4328 -3.2890 -3.2890 -3.0921 -3.0921 -2.9704 -2.9704 -2.9205 -2.9205 -2.0407 -2.0407 -1.7725 -1.7725 0.1656 0.1656 0.3126 0.3126 0.6986 0.6986 0.9092 0.9092 5.6682 5.6682 5.9462 5.9462 6.1997 6.1997 6.5396 6.5396 6.6717 6.6717 k = 0.2812 0.0207 0.0072 ( 7390 PWs) bands (ev): -17.6579 -17.6579 -17.5030 -17.5030 -13.6576 -13.6576 -13.4188 -13.4188 -12.2653 -12.2653 -12.1728 -12.1728 -9.4335 -9.4335 -9.3121 -9.3121 -5.6588 -5.6588 -5.5170 -5.5170 -5.3669 -5.3669 -5.2078 -5.2078 -5.0577 -5.0577 -4.8388 -4.8388 -4.6503 -4.6503 -4.4335 -4.4335 -3.2917 -3.2917 -3.0898 -3.0898 -2.9666 -2.9666 -2.9175 -2.9175 -2.0349 -2.0349 -1.7596 -1.7596 0.1706 0.1706 0.3148 0.3148 0.6967 0.6967 0.8994 0.8994 5.6533 5.6533 5.9004 5.9004 6.1863 6.1863 6.5442 6.5442 6.6583 6.6583 k = 0.2969 0.0219 0.0076 ( 7391 PWs) bands (ev): -17.6544 -17.6544 -17.5007 -17.5007 -13.6701 -13.6701 -13.4243 -13.4243 -12.2632 -12.2632 -12.1732 -12.1732 -9.4311 -9.4311 -9.3157 -9.3157 -5.6511 -5.6511 -5.5156 -5.5156 -5.3534 -5.3534 -5.2040 -5.2040 -5.0514 -5.0514 -4.8492 -4.8492 -4.6566 -4.6566 -4.4343 -4.4343 -3.2934 -3.2934 -3.0875 -3.0875 -2.9629 -2.9629 -2.9151 -2.9151 -2.0289 -2.0289 -1.7470 -1.7470 0.1754 0.1754 0.3168 0.3168 0.6950 0.6950 0.8891 0.8891 5.6364 5.6364 5.8544 5.8544 6.1743 6.1743 6.5484 6.5484 6.6473 6.6473 k = 0.3125 0.0230 0.0080 ( 7388 PWs) bands (ev): -17.6510 -17.6510 -17.4984 -17.4984 -13.6820 -13.6820 -13.4298 -13.4298 -12.2611 -12.2611 -12.1735 -12.1735 -9.4285 -9.4285 -9.3196 -9.3196 -5.6438 -5.6438 -5.5147 -5.5147 -5.3398 -5.3398 -5.2000 -5.2000 -5.0457 -5.0457 -4.8593 -4.8593 -4.6626 -4.6626 -4.4350 -4.4350 -3.2941 -3.2941 -3.0851 -3.0851 -2.9593 -2.9593 -2.9131 -2.9131 -2.0227 -2.0227 -1.7350 -1.7350 0.1800 0.1800 0.3188 0.3188 0.6936 0.6936 0.8786 0.8786 5.6174 5.6174 5.8092 5.8092 6.1639 6.1639 6.5522 6.5522 6.6382 6.6382 k = 0.3281 0.0242 0.0084 ( 7388 PWs) bands (ev): -17.6477 -17.6477 -17.4962 -17.4962 -13.6934 -13.6934 -13.4351 -13.4351 -12.2591 -12.2591 -12.1739 -12.1739 -9.4255 -9.4255 -9.3237 -9.3237 -5.6371 -5.6371 -5.5141 -5.5141 -5.3265 -5.3265 -5.1958 -5.1958 -5.0409 -5.0409 -4.8690 -4.8690 -4.6683 -4.6683 -4.4357 -4.4357 -3.2939 -3.2939 -3.0828 -3.0828 -2.9559 -2.9559 -2.9116 -2.9116 -2.0165 -2.0165 -1.7234 -1.7234 0.1844 0.1844 0.3206 0.3206 0.6926 0.6926 0.8678 0.8678 5.5966 5.5966 5.7659 5.7659 6.1548 6.1548 6.5554 6.5554 6.6308 6.6308 k = 0.3438 0.0253 0.0088 ( 7387 PWs) bands (ev): -17.6446 -17.6446 -17.4942 -17.4942 -13.7041 -13.7041 -13.4402 -13.4402 -12.2572 -12.2572 -12.1743 -12.1743 -9.4223 -9.4223 -9.3279 -9.3279 -5.6310 -5.6310 -5.5136 -5.5136 -5.3134 -5.3134 -5.1914 -5.1914 -5.0375 -5.0375 -4.8778 -4.8778 -4.6737 -4.6737 -4.4364 -4.4364 -3.2927 -3.2927 -3.0805 -3.0805 -2.9526 -2.9526 -2.9106 -2.9106 -2.0102 -2.0102 -1.7126 -1.7126 0.1886 0.1886 0.3222 0.3222 0.6920 0.6920 0.8569 0.8569 5.5741 5.5741 5.7253 5.7253 6.1471 6.1471 6.5579 6.5579 6.6246 6.6246 k = 0.3594 0.0265 0.0092 ( 7386 PWs) bands (ev): -17.6416 -17.6416 -17.4922 -17.4922 -13.7141 -13.7141 -13.4450 -13.4450 -12.2553 -12.2553 -12.1747 -12.1747 -9.4188 -9.4188 -9.3324 -9.3324 -5.6257 -5.6257 -5.5132 -5.5132 -5.3009 -5.3009 -5.1866 -5.1866 -5.0357 -5.0357 -4.8857 -4.8857 -4.6787 -4.6787 -4.4370 -4.4370 -3.2908 -3.2908 -3.0784 -3.0784 -2.9495 -2.9495 -2.9101 -2.9101 -2.0042 -2.0042 -1.7024 -1.7024 0.1925 0.1925 0.3237 0.3237 0.6919 0.6919 0.8460 0.8460 5.5504 5.5504 5.6881 5.6881 6.1406 6.1406 6.5597 6.5597 6.6195 6.6195 k = 0.3750 0.0276 0.0096 ( 7387 PWs) bands (ev): -17.6389 -17.6389 -17.4904 -17.4904 -13.7232 -13.7232 -13.4495 -13.4495 -12.2535 -12.2535 -12.1751 -12.1751 -9.4150 -9.4150 -9.3370 -9.3370 -5.6212 -5.6212 -5.5127 -5.5127 -5.2890 -5.2890 -5.1815 -5.1815 -5.0358 -5.0358 -4.8923 -4.8923 -4.6833 -4.6833 -4.4377 -4.4377 -3.2882 -3.2882 -3.0765 -3.0765 -2.9465 -2.9465 -2.9101 -2.9101 -1.9984 -1.9984 -1.6930 -1.6930 0.1961 0.1961 0.3251 0.3251 0.6924 0.6924 0.8352 0.8352 5.5260 5.5260 5.6546 5.6546 6.1352 6.1352 6.5609 6.5609 6.6153 6.6153 k = 0.3906 0.0288 0.0100 ( 7391 PWs) bands (ev): -17.6364 -17.6364 -17.4888 -17.4888 -13.7315 -13.7315 -13.4537 -13.4537 -12.2519 -12.2519 -12.1755 -12.1755 -9.4109 -9.4109 -9.3418 -9.3418 -5.6174 -5.6174 -5.5121 -5.5121 -5.2781 -5.2781 -5.1759 -5.1759 -5.0379 -5.0379 -4.8976 -4.8976 -4.6874 -4.6874 -4.4383 -4.4383 -3.2851 -3.2851 -3.0748 -3.0748 -2.9438 -2.9438 -2.9104 -2.9104 -1.9930 -1.9930 -1.6845 -1.6845 0.1993 0.1993 0.3262 0.3262 0.6933 0.6933 0.8246 0.8246 5.5017 5.5017 5.6252 5.6252 6.1308 6.1308 6.5613 6.5613 6.6119 6.6119 k = 0.4062 0.0299 0.0104 ( 7386 PWs) bands (ev): -17.6342 -17.6342 -17.4873 -17.4873 -13.7388 -13.7388 -13.4573 -13.4573 -12.2505 -12.2505 -12.1758 -12.1758 -9.4067 -9.4067 -9.3466 -9.3466 -5.6144 -5.6144 -5.5113 -5.5113 -5.2682 -5.2682 -5.1698 -5.1698 -5.0418 -5.0418 -4.9015 -4.9015 -4.6910 -4.6910 -4.4388 -4.4388 -3.2819 -3.2819 -3.0733 -3.0733 -2.9413 -2.9413 -2.9110 -2.9110 -1.9880 -1.9880 -1.6770 -1.6770 0.2022 0.2022 0.3273 0.3273 0.6948 0.6948 0.8145 0.8145 5.4786 5.4786 5.5998 5.5998 6.1272 6.1272 6.5612 6.5612 6.6090 6.6090 k = 0.4219 0.0311 0.0108 ( 7389 PWs) bands (ev): -17.6323 -17.6323 -17.4861 -17.4861 -13.7451 -13.7451 -13.4605 -13.4605 -12.2492 -12.2492 -12.1761 -12.1761 -9.4022 -9.4022 -9.3516 -9.3516 -5.6121 -5.6121 -5.5105 -5.5105 -5.2596 -5.2596 -5.1633 -5.1633 -5.0473 -5.0473 -4.9043 -4.9043 -4.6941 -4.6941 -4.4393 -4.4393 -3.2786 -3.2786 -3.0720 -3.0720 -2.9389 -2.9389 -2.9119 -2.9119 -1.9837 -1.9837 -1.6705 -1.6705 0.2046 0.2046 0.3281 0.3281 0.6967 0.6967 0.8050 0.8050 5.4575 5.4575 5.5783 5.5783 6.1244 6.1244 6.5606 6.5606 6.6068 6.6068 k = 0.4375 0.0322 0.0112 ( 7386 PWs) bands (ev): -17.6307 -17.6307 -17.4851 -17.4851 -13.7503 -13.7503 -13.4632 -13.4632 -12.2481 -12.2481 -12.1764 -12.1764 -9.3976 -9.3976 -9.3567 -9.3567 -5.6104 -5.6104 -5.5096 -5.5096 -5.2525 -5.2525 -5.1564 -5.1564 -5.0539 -5.0539 -4.9061 -4.9061 -4.6967 -4.6967 -4.4397 -4.4397 -3.2755 -3.2755 -3.0710 -3.0710 -2.9369 -2.9369 -2.9129 -2.9129 -1.9800 -1.9800 -1.6651 -1.6651 0.2067 0.2067 0.3288 0.3288 0.6988 0.6988 0.7965 0.7965 5.4391 5.4391 5.5608 5.5608 6.1223 6.1223 6.5598 6.5598 6.6050 6.6050 k = 0.4531 0.0334 0.0116 ( 7385 PWs) bands (ev): -17.6294 -17.6294 -17.4842 -17.4842 -13.7544 -13.7544 -13.4653 -13.4653 -12.2473 -12.2473 -12.1767 -12.1767 -9.3928 -9.3928 -9.3618 -9.3618 -5.6092 -5.6092 -5.5088 -5.5088 -5.2469 -5.2469 -5.1496 -5.1496 -5.0608 -5.0608 -4.9072 -4.9072 -4.6986 -4.6986 -4.4400 -4.4400 -3.2728 -3.2728 -3.0703 -3.0703 -2.9351 -2.9351 -2.9140 -2.9140 -1.9770 -1.9770 -1.6608 -1.6608 0.2083 0.2083 0.3294 0.3294 0.7011 0.7011 0.7891 0.7891 5.4243 5.4243 5.5470 5.5470 6.1207 6.1207 6.5589 6.5589 6.6036 6.6036 k = 0.4688 0.0345 0.0120 ( 7381 PWs) bands (ev): -17.6285 -17.6285 -17.4836 -17.4836 -13.7573 -13.7573 -13.4669 -13.4669 -12.2466 -12.2466 -12.1768 -12.1768 -9.3879 -9.3879 -9.3669 -9.3669 -5.6084 -5.6084 -5.5082 -5.5082 -5.2428 -5.2428 -5.1433 -5.1433 -5.0674 -5.0674 -4.9079 -4.9079 -4.7001 -4.7001 -4.4402 -4.4402 -3.2707 -3.2707 -3.0698 -3.0698 -2.9338 -2.9338 -2.9149 -2.9149 -1.9748 -1.9748 -1.6577 -1.6577 0.2094 0.2094 0.3298 0.3298 0.7031 0.7031 0.7834 0.7834 5.4133 5.4133 5.5372 5.5372 6.1197 6.1197 6.5582 6.5582 6.6027 6.6027 k = 0.4844 0.0357 0.0124 ( 7377 PWs) bands (ev): -17.6280 -17.6280 -17.4833 -17.4833 -13.7591 -13.7591 -13.4678 -13.4678 -12.2463 -12.2463 -12.1770 -12.1770 -9.3831 -9.3831 -9.3719 -9.3719 -5.6080 -5.6080 -5.5078 -5.5078 -5.2404 -5.2404 -5.1387 -5.1387 -5.0722 -5.0722 -4.9082 -4.9082 -4.7009 -4.7009 -4.4404 -4.4404 -3.2694 -3.2694 -3.0694 -3.0694 -2.9329 -2.9329 -2.9155 -2.9155 -1.9735 -1.9735 -1.6558 -1.6558 0.2101 0.2101 0.3300 0.3300 0.7045 0.7045 0.7797 0.7797 5.4066 5.4066 5.5313 5.5313 6.1191 6.1191 6.5576 6.5576 6.6021 6.6021 k = 0.5000 0.0368 0.0128 ( 7372 PWs) bands (ev): -17.6278 -17.6278 -17.4832 -17.4832 -13.7597 -13.7597 -13.4681 -13.4681 -12.2461 -12.2461 -12.1770 -12.1770 -9.3798 -9.3798 -9.3753 -9.3753 -5.6078 -5.6078 -5.5076 -5.5076 -5.2396 -5.2396 -5.1370 -5.1370 -5.0740 -5.0740 -4.9083 -4.9083 -4.7012 -4.7012 -4.4404 -4.4404 -3.2690 -3.2690 -3.0693 -3.0693 -2.9326 -2.9326 -2.9157 -2.9157 -1.9731 -1.9731 -1.6552 -1.6552 0.2104 0.2104 0.3301 0.3301 0.7051 0.7051 0.7784 0.7784 5.4044 5.4044 5.5293 5.5293 6.1189 6.1189 6.5574 6.5574 6.6020 6.6020 k = 0.5000-0.3693-0.1107 ( 7382 PWs) bands (ev): -17.6182 -17.6182 -17.4908 -17.4908 -13.6740 -13.6740 -13.5506 -13.5506 -12.2482 -12.2482 -12.1827 -12.1827 -9.4565 -9.4565 -9.3566 -9.3566 -5.6560 -5.6560 -5.5862 -5.5862 -5.3577 -5.3577 -5.2520 -5.2520 -4.8212 -4.8212 -4.7773 -4.7773 -4.5772 -4.5772 -4.4742 -4.4742 -3.2128 -3.2128 -3.0159 -3.0159 -3.0142 -3.0142 -2.8758 -2.8758 -1.9191 -1.9191 -1.5989 -1.5989 0.1671 0.1671 0.3288 0.3288 0.6718 0.6718 0.9458 0.9458 5.0744 5.0744 5.3902 5.3902 5.5367 5.5367 5.9807 5.9807 6.8025 6.8025 k = 0.4875-0.3601-0.1079 ( 7381 PWs) bands (ev): -17.6183 -17.6183 -17.4909 -17.4909 -13.6743 -13.6743 -13.5498 -13.5498 -12.2483 -12.2483 -12.1826 -12.1826 -9.4569 -9.4569 -9.3561 -9.3561 -5.6566 -5.6566 -5.5858 -5.5858 -5.3585 -5.3585 -5.2507 -5.2507 -4.8225 -4.8225 -4.7770 -4.7770 -4.5773 -4.5773 -4.4740 -4.4740 -3.2127 -3.2127 -3.0190 -3.0190 -3.0113 -3.0113 -2.8761 -2.8761 -1.9197 -1.9197 -1.5991 -1.5991 0.1672 0.1672 0.3287 0.3287 0.6716 0.6716 0.9460 0.9460 5.0765 5.0765 5.3906 5.3906 5.5385 5.5385 5.9816 5.9816 6.7983 6.7983 k = 0.4750-0.3508-0.1051 ( 7380 PWs) bands (ev): -17.6187 -17.6187 -17.4912 -17.4912 -13.6750 -13.6750 -13.5472 -13.5472 -12.2485 -12.2485 -12.1825 -12.1825 -9.4580 -9.4580 -9.3547 -9.3547 -5.6584 -5.6584 -5.5847 -5.5847 -5.3609 -5.3609 -5.2471 -5.2471 -4.8261 -4.8261 -4.7762 -4.7762 -4.5775 -4.5775 -4.4736 -4.4736 -3.2125 -3.2125 -3.0230 -3.0230 -3.0077 -3.0077 -2.8769 -2.8769 -1.9215 -1.9215 -1.6000 -1.6000 0.1675 0.1675 0.3284 0.3284 0.6711 0.6711 0.9465 0.9465 5.0828 5.0828 5.3917 5.3917 5.5436 5.5436 5.9843 5.9843 6.7901 6.7901 k = 0.4625-0.3416-0.1024 ( 7381 PWs) bands (ev): -17.6193 -17.6193 -17.4915 -17.4915 -13.6760 -13.6760 -13.5432 -13.5432 -12.2489 -12.2489 -12.1824 -12.1824 -9.4598 -9.4598 -9.3524 -9.3524 -5.6613 -5.6613 -5.5829 -5.5829 -5.3645 -5.3645 -5.2415 -5.2415 -4.8315 -4.8315 -4.7754 -4.7754 -4.5779 -4.5779 -4.4729 -4.4729 -3.2121 -3.2121 -3.0272 -3.0272 -3.0042 -3.0042 -2.8782 -2.8782 -1.9244 -1.9244 -1.6014 -1.6014 0.1680 0.1680 0.3279 0.3279 0.6703 0.6703 0.9473 0.9473 5.0934 5.0934 5.3933 5.3933 5.5524 5.5524 5.9887 5.9887 6.7809 6.7809 k = 0.4500-0.3324-0.0996 ( 7380 PWs) bands (ev): -17.6201 -17.6201 -17.4921 -17.4921 -13.6773 -13.6773 -13.5378 -13.5378 -12.2495 -12.2495 -12.1822 -12.1822 -9.4622 -9.4622 -9.3493 -9.3493 -5.6651 -5.6651 -5.5806 -5.5806 -5.3689 -5.3689 -5.2343 -5.2343 -4.8384 -4.8384 -4.7749 -4.7749 -4.5784 -4.5784 -4.4720 -4.4720 -3.2117 -3.2117 -3.0316 -3.0316 -3.0007 -3.0007 -2.8800 -2.8800 -1.9285 -1.9285 -1.6033 -1.6033 0.1685 0.1685 0.3272 0.3272 0.6691 0.6691 0.9485 0.9485 5.1080 5.1080 5.3953 5.3953 5.5650 5.5650 5.9948 5.9948 6.7715 6.7715 k = 0.4375-0.3231-0.0968 ( 7380 PWs) bands (ev): -17.6212 -17.6212 -17.4927 -17.4927 -13.6786 -13.6786 -13.5312 -13.5312 -12.2502 -12.2502 -12.1819 -12.1819 -9.4650 -9.4650 -9.3457 -9.3457 -5.6696 -5.6696 -5.5778 -5.5778 -5.3738 -5.3738 -5.2262 -5.2262 -4.8463 -4.8463 -4.7750 -4.7750 -4.5790 -4.5790 -4.4708 -4.4708 -3.2112 -3.2112 -3.0362 -3.0362 -2.9973 -2.9973 -2.8823 -2.8823 -1.9335 -1.9335 -1.6059 -1.6059 0.1692 0.1692 0.3264 0.3264 0.6676 0.6676 0.9500 0.9500 5.1267 5.1267 5.3976 5.3976 5.5814 5.5814 6.0024 6.0024 6.7623 6.7623 k = 0.4250-0.3139-0.0941 ( 7387 PWs) bands (ev): -17.6224 -17.6224 -17.4935 -17.4935 -13.6798 -13.6798 -13.5236 -13.5236 -12.2510 -12.2510 -12.1816 -12.1816 -9.4681 -9.4681 -9.3416 -9.3416 -5.6748 -5.6748 -5.5747 -5.5747 -5.3789 -5.3789 -5.2173 -5.2173 -4.8549 -4.8549 -4.7759 -4.7759 -4.5797 -4.5797 -4.4695 -4.4695 -3.2107 -3.2107 -3.0410 -3.0410 -2.9938 -2.9938 -2.8849 -2.8849 -1.9396 -1.9396 -1.6090 -1.6090 0.1700 0.1700 0.3253 0.3253 0.6658 0.6658 0.9518 0.9518 5.1492 5.1492 5.4001 5.4001 5.6019 5.6019 6.0115 6.0115 6.7533 6.7533 k = 0.4125-0.3047-0.0913 ( 7385 PWs) bands (ev): -17.6240 -17.6240 -17.4945 -17.4945 -13.6807 -13.6807 -13.5153 -13.5153 -12.2519 -12.2519 -12.1812 -12.1812 -9.4713 -9.4713 -9.3371 -9.3371 -5.6804 -5.6804 -5.5713 -5.5713 -5.3840 -5.3840 -5.2082 -5.2082 -4.8640 -4.8640 -4.7776 -4.7776 -4.5805 -4.5805 -4.4679 -4.4679 -3.2102 -3.2102 -3.0460 -3.0460 -2.9904 -2.9904 -2.8880 -2.8880 -1.9465 -1.9465 -1.6127 -1.6127 0.1708 0.1708 0.3241 0.3241 0.6638 0.6638 0.9540 0.9540 5.1753 5.1753 5.4029 5.4029 5.6262 5.6262 6.0218 6.0218 6.7448 6.7448 k = 0.4000-0.2954-0.0885 ( 7378 PWs) bands (ev): -17.6257 -17.6257 -17.4955 -17.4955 -13.6813 -13.6813 -13.5062 -13.5062 -12.2530 -12.2530 -12.1808 -12.1808 -9.4746 -9.4746 -9.3324 -9.3324 -5.6863 -5.6863 -5.5678 -5.5678 -5.3892 -5.3892 -5.1991 -5.1991 -4.8734 -4.8734 -4.7801 -4.7801 -4.5814 -4.5814 -4.4661 -4.4661 -3.2098 -3.2098 -3.0510 -3.0510 -2.9869 -2.9869 -2.8913 -2.8913 -1.9542 -1.9542 -1.6171 -1.6171 0.1717 0.1717 0.3228 0.3228 0.6616 0.6616 0.9564 0.9564 5.2048 5.2048 5.4060 5.4060 5.6543 5.6543 6.0332 6.0332 6.7367 6.7367 k = 0.3875-0.2862-0.0858 ( 7379 PWs) bands (ev): -17.6276 -17.6276 -17.4966 -17.4966 -13.6814 -13.6814 -13.4967 -13.4967 -12.2541 -12.2541 -12.1803 -12.1803 -9.4779 -9.4779 -9.3275 -9.3275 -5.6924 -5.6924 -5.5643 -5.5643 -5.3942 -5.3942 -5.1903 -5.1903 -4.8828 -4.8828 -4.7834 -4.7834 -4.5823 -4.5823 -4.4642 -4.4642 -3.2096 -3.2096 -3.0561 -3.0561 -2.9835 -2.9835 -2.8949 -2.8949 -1.9626 -1.9626 -1.6220 -1.6220 0.1724 0.1724 0.3214 0.3214 0.6591 0.6591 0.9592 0.9592 5.2375 5.2375 5.4096 5.4096 5.6860 5.6860 6.0456 6.0456 6.7290 6.7290 k = 0.3750-0.2770-0.0830 ( 7386 PWs) bands (ev): -17.6297 -17.6297 -17.4979 -17.4979 -13.6809 -13.6809 -13.4868 -13.4868 -12.2554 -12.2554 -12.1799 -12.1799 -9.4811 -9.4811 -9.3225 -9.3225 -5.6986 -5.6986 -5.5609 -5.5609 -5.3990 -5.3990 -5.1821 -5.1821 -4.8922 -4.8922 -4.7875 -4.7875 -4.5833 -4.5833 -4.4622 -4.4622 -3.2096 -3.2096 -3.0610 -3.0610 -2.9803 -2.9803 -2.8986 -2.8986 -1.9714 -1.9714 -1.6276 -1.6276 0.1731 0.1731 0.3198 0.3198 0.6566 0.6566 0.9622 0.9622 5.2728 5.2728 5.4140 5.4140 5.7210 5.7210 6.0588 6.0588 6.7220 6.7220 k = 0.3625-0.2677-0.0802 ( 7385 PWs) bands (ev): -17.6320 -17.6320 -17.4992 -17.4992 -13.6799 -13.6799 -13.4767 -13.4767 -12.2568 -12.2568 -12.1794 -12.1794 -9.4842 -9.4842 -9.3175 -9.3175 -5.7047 -5.7047 -5.5576 -5.5576 -5.4037 -5.4037 -5.1745 -5.1745 -4.9014 -4.9014 -4.7921 -4.7921 -4.5842 -4.5842 -4.4600 -4.4600 -3.2100 -3.2100 -3.0657 -3.0657 -2.9772 -2.9772 -2.9023 -2.9023 -1.9807 -1.9807 -1.6338 -1.6338 0.1736 0.1736 0.3182 0.3182 0.6539 0.6539 0.9655 0.9655 5.3104 5.3104 5.4194 5.4194 5.7591 5.7591 6.0728 6.0728 6.7154 6.7154 k = 0.3500-0.2585-0.0775 ( 7386 PWs) bands (ev): -17.6345 -17.6345 -17.5007 -17.5007 -13.6783 -13.6783 -13.4665 -13.4665 -12.2582 -12.2582 -12.1789 -12.1789 -9.4870 -9.4870 -9.3126 -9.3126 -5.7107 -5.7107 -5.5547 -5.5547 -5.4083 -5.4083 -5.1680 -5.1680 -4.9102 -4.9102 -4.7972 -4.7972 -4.5851 -4.5851 -4.4579 -4.4579 -3.2107 -3.2107 -3.0700 -3.0700 -2.9746 -2.9746 -2.9059 -2.9059 -1.9903 -1.9903 -1.6406 -1.6406 0.1740 0.1740 0.3165 0.3165 0.6513 0.6513 0.9690 0.9690 5.3493 5.3493 5.4264 5.4264 5.8000 5.8000 6.0873 6.0873 6.7095 6.7095 k = 0.3375-0.2493-0.0747 ( 7386 PWs) bands (ev): -17.6371 -17.6371 -17.5021 -17.5021 -13.6760 -13.6760 -13.4563 -13.4563 -12.2596 -12.2596 -12.1784 -12.1784 -9.4895 -9.4895 -9.3078 -9.3078 -5.7165 -5.7165 -5.5521 -5.5521 -5.4126 -5.4126 -5.1626 -5.1626 -4.9187 -4.9187 -4.8024 -4.8024 -4.5859 -4.5859 -4.4557 -4.4557 -3.2118 -3.2118 -3.0740 -3.0740 -2.9725 -2.9725 -2.9092 -2.9092 -2.0001 -2.0001 -1.6481 -1.6481 0.1741 0.1741 0.3148 0.3148 0.6487 0.6487 0.9727 0.9727 5.3877 5.3877 5.4365 5.4365 5.8435 5.8435 6.1023 6.1023 6.7041 6.7041 k = 0.3250-0.2400-0.0719 ( 7383 PWs) bands (ev): -17.6398 -17.6398 -17.5037 -17.5037 -13.6730 -13.6730 -13.4461 -13.4461 -12.2611 -12.2611 -12.1779 -12.1779 -9.4917 -9.4917 -9.3031 -9.3031 -5.7221 -5.7221 -5.5500 -5.5500 -5.4168 -5.4168 -5.1584 -5.1584 -4.9268 -4.9268 -4.8077 -4.8077 -4.5866 -4.5866 -4.4534 -4.4534 -3.2134 -3.2134 -3.0774 -3.0774 -2.9712 -2.9712 -2.9120 -2.9120 -2.0099 -2.0099 -1.6563 -1.6563 0.1740 0.1740 0.3130 0.3130 0.6463 0.6463 0.9765 0.9765 5.4191 5.4191 5.4558 5.4558 5.8892 5.8892 6.1178 6.1178 6.6992 6.6992 k = 0.3125-0.2308-0.0692 ( 7383 PWs) bands (ev): -17.6427 -17.6427 -17.5052 -17.5052 -13.6693 -13.6693 -13.4362 -13.4362 -12.2627 -12.2627 -12.1774 -12.1774 -9.4935 -9.4935 -9.2986 -9.2986 -5.7272 -5.7272 -5.5484 -5.5484 -5.4209 -5.4209 -5.1556 -5.1556 -4.9345 -4.9345 -4.8126 -4.8126 -4.5871 -4.5871 -4.4512 -4.4512 -3.2154 -3.2154 -3.0802 -3.0802 -2.9708 -2.9708 -2.9142 -2.9142 -2.0197 -2.0197 -1.6650 -1.6650 0.1736 0.1736 0.3112 0.3112 0.6440 0.6440 0.9804 0.9804 5.4374 5.4374 5.4899 5.4899 5.9370 5.9370 6.1337 6.1337 6.6947 6.6947 k = 0.3000-0.2216-0.0664 ( 7386 PWs) bands (ev): -17.6457 -17.6457 -17.5068 -17.5068 -13.6650 -13.6650 -13.4265 -13.4265 -12.2643 -12.2643 -12.1769 -12.1769 -9.4950 -9.4950 -9.2944 -9.2944 -5.7320 -5.7320 -5.5476 -5.5476 -5.4248 -5.4248 -5.1542 -5.1542 -4.9419 -4.9419 -4.8170 -4.8170 -4.5875 -4.5875 -4.4490 -4.4490 -3.2178 -3.2178 -3.0824 -3.0824 -2.9715 -2.9715 -2.9157 -2.9157 -2.0292 -2.0292 -1.6744 -1.6744 0.1728 0.1728 0.3093 0.3093 0.6421 0.6421 0.9843 0.9843 5.4505 5.4505 5.5305 5.5305 5.9864 5.9864 6.1501 6.1501 6.6907 6.6907 k = 0.2875-0.2123-0.0636 ( 7381 PWs) bands (ev): -17.6488 -17.6488 -17.5085 -17.5085 -13.6600 -13.6600 -13.4171 -13.4171 -12.2659 -12.2659 -12.1764 -12.1764 -9.4960 -9.4960 -9.2904 -9.2904 -5.7364 -5.7364 -5.5474 -5.5474 -5.4286 -5.4286 -5.1542 -5.1542 -4.9492 -4.9492 -4.8206 -4.8206 -4.5877 -4.5877 -4.4468 -4.4468 -3.2205 -3.2205 -3.0840 -3.0840 -2.9732 -2.9732 -2.9164 -2.9164 -2.0385 -2.0385 -1.6844 -1.6844 0.1718 0.1718 0.3075 0.3075 0.6406 0.6406 0.9882 0.9882 5.4631 5.4631 5.5721 5.5721 6.0369 6.0369 6.1673 6.1673 6.6871 6.6871 k = 0.2750-0.2031-0.0609 ( 7384 PWs) bands (ev): -17.6520 -17.6520 -17.5101 -17.5101 -13.6543 -13.6543 -13.4082 -13.4082 -12.2675 -12.2675 -12.1760 -12.1760 -9.4966 -9.4966 -9.2868 -9.2868 -5.7404 -5.7404 -5.5480 -5.5480 -5.4324 -5.4324 -5.1557 -5.1557 -4.9564 -4.9564 -4.8230 -4.8230 -4.5878 -4.5878 -4.4447 -4.4447 -3.2234 -3.2234 -3.0851 -3.0851 -2.9759 -2.9759 -2.9166 -2.9166 -2.0473 -2.0473 -1.6950 -1.6950 0.1704 0.1704 0.3056 0.3056 0.6395 0.6395 0.9921 0.9921 5.4765 5.4765 5.6131 5.6131 6.0874 6.0874 6.1859 6.1859 6.6839 6.6839 k = 0.2625-0.1939-0.0581 ( 7393 PWs) bands (ev): -17.6552 -17.6552 -17.5117 -17.5117 -13.6480 -13.6480 -13.3997 -13.3997 -12.2691 -12.2691 -12.1755 -12.1755 -9.4967 -9.4967 -9.2834 -9.2834 -5.7439 -5.7439 -5.5493 -5.5493 -5.4361 -5.4361 -5.1584 -5.1584 -4.9638 -4.9638 -4.8242 -4.8242 -4.5877 -4.5877 -4.4426 -4.4426 -3.2263 -3.2263 -3.0858 -3.0858 -2.9792 -2.9792 -2.9165 -2.9165 -2.0557 -2.0557 -1.7061 -1.7061 0.1687 0.1687 0.3037 0.3037 0.6389 0.6389 0.9957 0.9957 5.4908 5.4908 5.6527 5.6527 6.1355 6.1355 6.2083 6.2083 6.6811 6.6811 k = 0.2500-0.1846-0.0553 ( 7393 PWs) bands (ev): -17.6584 -17.6584 -17.5133 -17.5133 -13.6411 -13.6411 -13.3919 -13.3919 -12.2707 -12.2707 -12.1751 -12.1751 -9.4964 -9.4964 -9.2804 -9.2804 -5.7471 -5.7471 -5.5513 -5.5513 -5.4398 -5.4398 -5.1621 -5.1621 -4.9714 -4.9714 -4.8239 -4.8239 -4.5874 -4.5874 -4.4407 -4.4407 -3.2292 -3.2292 -3.0862 -3.0862 -2.9830 -2.9830 -2.9164 -2.9164 -2.0634 -2.0634 -1.7177 -1.7177 0.1666 0.1666 0.3018 0.3018 0.6390 0.6390 0.9992 0.9992 5.5062 5.5062 5.6905 5.6905 6.1753 6.1753 6.2397 6.2397 6.6788 6.6788 k = 0.2375-0.1754-0.0526 ( 7400 PWs) bands (ev): -17.6617 -17.6617 -17.5149 -17.5149 -13.6337 -13.6337 -13.3846 -13.3846 -12.2723 -12.2723 -12.1747 -12.1747 -9.4956 -9.4956 -9.2778 -9.2778 -5.7498 -5.7498 -5.5540 -5.5540 -5.4436 -5.4436 -5.1668 -5.1668 -4.9794 -4.9794 -4.8222 -4.8222 -4.5869 -4.5869 -4.4387 -4.4387 -3.2318 -3.2318 -3.0864 -3.0864 -2.9869 -2.9869 -2.9164 -2.9164 -2.0705 -2.0705 -1.7299 -1.7299 0.1642 0.1642 0.3000 0.3000 0.6396 0.6396 1.0024 1.0024 5.5225 5.5225 5.7263 5.7263 6.2030 6.2030 6.2834 6.2834 6.6773 6.6773 k = 0.2250-0.1662-0.0498 ( 7401 PWs) bands (ev): -17.6649 -17.6649 -17.5165 -17.5165 -13.6258 -13.6258 -13.3780 -13.3780 -12.2738 -12.2738 -12.1743 -12.1743 -9.4943 -9.4943 -9.2756 -9.2756 -5.7521 -5.7521 -5.5572 -5.5572 -5.4475 -5.4475 -5.1722 -5.1722 -4.9877 -4.9877 -4.8192 -4.8192 -4.5863 -4.5863 -4.4369 -4.4369 -3.2340 -3.2340 -3.0865 -3.0865 -2.9908 -2.9908 -2.9168 -2.9168 -2.0768 -2.0768 -1.7424 -1.7424 0.1615 0.1615 0.2982 0.2982 0.6410 0.6410 1.0053 1.0053 5.5398 5.5398 5.7601 5.7601 6.2232 6.2232 6.3337 6.3337 6.6771 6.6771 k = 0.2125-0.1569-0.0470 ( 7401 PWs) bands (ev): -17.6682 -17.6682 -17.5180 -17.5180 -13.6173 -13.6173 -13.3721 -13.3721 -12.2753 -12.2753 -12.1739 -12.1739 -9.4926 -9.4926 -9.2738 -9.2738 -5.7541 -5.7541 -5.5609 -5.5609 -5.4516 -5.4516 -5.1781 -5.1781 -4.9963 -4.9963 -4.8150 -4.8150 -4.5856 -4.5856 -4.4352 -4.4352 -3.2358 -3.2358 -3.0868 -3.0868 -2.9946 -2.9946 -2.9177 -2.9177 -2.0823 -2.0823 -1.7554 -1.7554 0.1584 0.1584 0.2965 0.2965 0.6431 0.6431 1.0077 1.0077 5.5576 5.5576 5.7920 5.7920 6.2403 6.2403 6.3848 6.3848 6.6792 6.6792 k = 0.2000-0.1477-0.0443 ( 7404 PWs) bands (ev): -17.6713 -17.6713 -17.5195 -17.5195 -13.6085 -13.6085 -13.3669 -13.3669 -12.2768 -12.2768 -12.1735 -12.1735 -9.4904 -9.4904 -9.2724 -9.2724 -5.7558 -5.7558 -5.5649 -5.5649 -5.4560 -5.4560 -5.1842 -5.1842 -5.0051 -5.0051 -4.8098 -4.8098 -4.5847 -4.5847 -4.4335 -4.4335 -3.2369 -3.2369 -3.0873 -3.0873 -2.9979 -2.9979 -2.9193 -2.9193 -2.0869 -2.0869 -1.7688 -1.7688 0.1551 0.1551 0.2949 0.2949 0.6459 0.6459 1.0098 1.0098 5.5760 5.5760 5.8223 5.8223 6.2558 6.2558 6.4328 6.4328 6.6853 6.6853 k = 0.1875-0.1385-0.0415 ( 7405 PWs) bands (ev): -17.6744 -17.6744 -17.5209 -17.5209 -13.5993 -13.5993 -13.3625 -13.3625 -12.2782 -12.2782 -12.1732 -12.1732 -9.4878 -9.4878 -9.2714 -9.2714 -5.7573 -5.7573 -5.5691 -5.5691 -5.4606 -5.4606 -5.1904 -5.1904 -5.0141 -5.0141 -4.8036 -4.8036 -4.5837 -4.5837 -4.4320 -4.4320 -3.2374 -3.2374 -3.0881 -3.0881 -3.0009 -3.0009 -2.9215 -2.9215 -2.0906 -2.0906 -1.7824 -1.7824 0.1515 0.1515 0.2933 0.2933 0.6494 0.6494 1.0113 1.0113 5.5945 5.5945 5.8517 5.8517 6.2703 6.2703 6.4738 6.4738 6.6981 6.6981 k = 0.1750-0.1293-0.0387 ( 7403 PWs) bands (ev): -17.6774 -17.6774 -17.5223 -17.5223 -13.5898 -13.5898 -13.3589 -13.3589 -12.2796 -12.2796 -12.1728 -12.1728 -9.4848 -9.4848 -9.2708 -9.2708 -5.7585 -5.7585 -5.5733 -5.5733 -5.4656 -5.4656 -5.1964 -5.1964 -5.0232 -5.0232 -4.7969 -4.7969 -4.5827 -4.5827 -4.4305 -4.4305 -3.2371 -3.2371 -3.0892 -3.0892 -3.0033 -3.0033 -2.9245 -2.9245 -2.0933 -2.0933 -1.7962 -1.7962 0.1477 0.1477 0.2919 0.2919 0.6536 0.6536 1.0124 1.0124 5.6128 5.6128 5.8805 5.8805 6.2842 6.2842 6.5043 6.5043 6.7203 6.7203 k = 0.1625-0.1200-0.0360 ( 7407 PWs) bands (ev): -17.6803 -17.6803 -17.5236 -17.5236 -13.5801 -13.5801 -13.3561 -13.3561 -12.2808 -12.2808 -12.1725 -12.1725 -9.4815 -9.4815 -9.2706 -9.2706 -5.7596 -5.7596 -5.5775 -5.5775 -5.4709 -5.4709 -5.2021 -5.2021 -5.0323 -5.0323 -4.7896 -4.7896 -4.5817 -4.5817 -4.4292 -4.4292 -3.2359 -3.2359 -3.0907 -3.0907 -3.0053 -3.0053 -2.9282 -2.9282 -2.0951 -2.0951 -1.8103 -1.8103 0.1438 0.1438 0.2906 0.2906 0.6585 0.6585 1.0130 1.0130 5.6305 5.6305 5.9094 5.9094 6.2975 6.2975 6.5227 6.5227 6.7525 6.7525 k = 0.1500-0.1108-0.0332 ( 7407 PWs) bands (ev): -17.6831 -17.6831 -17.5248 -17.5248 -13.5702 -13.5702 -13.3541 -13.3541 -12.2821 -12.2821 -12.1722 -12.1722 -9.4779 -9.4779 -9.2708 -9.2708 -5.7606 -5.7606 -5.5815 -5.5815 -5.4764 -5.4764 -5.2074 -5.2074 -5.0414 -5.0414 -4.7821 -4.7821 -4.5805 -4.5805 -4.4279 -4.4279 -3.2340 -3.2340 -3.0925 -3.0925 -3.0070 -3.0070 -2.9325 -2.9325 -2.0958 -2.0958 -1.8244 -1.8244 0.1397 0.1397 0.2895 0.2895 0.6639 0.6639 1.0130 1.0130 5.6475 5.6475 5.9390 5.9390 6.3101 6.3101 6.5311 6.5311 6.7920 6.7920 k = 0.1375-0.1016-0.0304 ( 7408 PWs) bands (ev): -17.6857 -17.6857 -17.5259 -17.5259 -13.5602 -13.5602 -13.3528 -13.3528 -12.2832 -12.2832 -12.1720 -12.1720 -9.4740 -9.4740 -9.2714 -9.2714 -5.7616 -5.7616 -5.5852 -5.5852 -5.4821 -5.4821 -5.2121 -5.2121 -5.0503 -5.0503 -4.7745 -4.7745 -4.5795 -4.5795 -4.4268 -4.4268 -3.2313 -3.2313 -3.0945 -3.0945 -3.0085 -3.0085 -2.9373 -2.9373 -2.0955 -2.0955 -1.8385 -1.8385 0.1357 0.1357 0.2885 0.2885 0.6697 0.6697 1.0125 1.0125 5.6633 5.6633 5.9695 5.9695 6.3223 6.3223 6.5327 6.5327 6.8347 6.8347 k = 0.1250-0.0923-0.0277 ( 7402 PWs) bands (ev): -17.6881 -17.6881 -17.5270 -17.5270 -13.5503 -13.5503 -13.3523 -13.3523 -12.2843 -12.2843 -12.1718 -12.1718 -9.4700 -9.4700 -9.2722 -9.2722 -5.7625 -5.7625 -5.5886 -5.5886 -5.4879 -5.4879 -5.2163 -5.2163 -5.0589 -5.0589 -4.7669 -4.7669 -4.5784 -4.5784 -4.4257 -4.4257 -3.2277 -3.2277 -3.0965 -3.0965 -3.0100 -3.0100 -2.9425 -2.9425 -2.0942 -2.0942 -1.8526 -1.8526 0.1316 0.1316 0.2876 0.2876 0.6759 0.6759 1.0116 1.0116 5.6779 5.6779 6.0014 6.0014 6.3338 6.3338 6.5299 6.5299 6.8770 6.8770 k = 0.1125-0.0831-0.0249 ( 7403 PWs) bands (ev): -17.6904 -17.6904 -17.5279 -17.5279 -13.5405 -13.5405 -13.3525 -13.3525 -12.2852 -12.2852 -12.1715 -12.1715 -9.4659 -9.4659 -9.2733 -9.2733 -5.7633 -5.7633 -5.5917 -5.5917 -5.4937 -5.4937 -5.2198 -5.2198 -5.0672 -5.0672 -4.7596 -4.7596 -4.5774 -4.5774 -4.4248 -4.4248 -3.2235 -3.2235 -3.0986 -3.0986 -3.0119 -3.0119 -2.9478 -2.9478 -2.0920 -2.0920 -1.8665 -1.8665 0.1276 0.1276 0.2868 0.2868 0.6824 0.6824 1.0102 1.0102 5.6909 5.6909 6.0348 6.0348 6.3445 6.3445 6.5247 6.5247 6.9156 6.9156 k = 0.1000-0.0739-0.0221 ( 7408 PWs) bands (ev): -17.6925 -17.6925 -17.5288 -17.5288 -13.5309 -13.5309 -13.3533 -13.3533 -12.2861 -12.2861 -12.1714 -12.1714 -9.4618 -9.4618 -9.2746 -9.2746 -5.7642 -5.7642 -5.5944 -5.5944 -5.4993 -5.4993 -5.2226 -5.2226 -5.0751 -5.0751 -4.7527 -4.7527 -4.5764 -4.5764 -4.4240 -4.4240 -3.2187 -3.2187 -3.1005 -3.1005 -3.0144 -3.0144 -2.9529 -2.9529 -2.0890 -2.0890 -1.8801 -1.8801 0.1239 0.1239 0.2862 0.2862 0.6889 0.6889 1.0085 1.0085 5.7024 5.7024 6.0697 6.0697 6.3544 6.3544 6.5181 6.5181 6.9467 6.9467 k = 0.0875-0.0646-0.0194 ( 7411 PWs) bands (ev): -17.6943 -17.6943 -17.5296 -17.5296 -13.5218 -13.5218 -13.3547 -13.3547 -12.2869 -12.2869 -12.1712 -12.1712 -9.4578 -9.4578 -9.2761 -9.2761 -5.7650 -5.7650 -5.5967 -5.5967 -5.5047 -5.5047 -5.2249 -5.2249 -5.0825 -5.0825 -4.7462 -4.7462 -4.5756 -4.5756 -4.4233 -4.4233 -3.2134 -3.2134 -3.1020 -3.1020 -3.0178 -3.0178 -2.9575 -2.9575 -2.0852 -2.0852 -1.8933 -1.8933 0.1203 0.1203 0.2856 0.2856 0.6953 0.6953 1.0066 1.0066 5.7124 5.7124 6.1057 6.1057 6.3632 6.3632 6.5110 6.5110 6.9647 6.9647 k = 0.0750-0.0554-0.0166 ( 7405 PWs) bands (ev): -17.6960 -17.6960 -17.5303 -17.5303 -13.5132 -13.5132 -13.3564 -13.3564 -12.2876 -12.2876 -12.1711 -12.1711 -9.4540 -9.4540 -9.2776 -9.2776 -5.7658 -5.7658 -5.5987 -5.5987 -5.5095 -5.5095 -5.2267 -5.2267 -5.0892 -5.0892 -4.7404 -4.7404 -4.5748 -4.5748 -4.4226 -4.4226 -3.2079 -3.2079 -3.1031 -3.1031 -3.0222 -3.0222 -2.9613 -2.9613 -2.0808 -2.0808 -1.9059 -1.9059 0.1171 0.1171 0.2852 0.2852 0.7014 0.7014 1.0045 1.0045 5.7209 5.7209 6.1426 6.1426 6.3703 6.3703 6.5043 6.5043 6.9630 6.9630 k = 0.0625-0.0462-0.0138 ( 7409 PWs) bands (ev): -17.6974 -17.6974 -17.5309 -17.5309 -13.5053 -13.5053 -13.3584 -13.3584 -12.2882 -12.2882 -12.1709 -12.1709 -9.4505 -9.4505 -9.2791 -9.2791 -5.7665 -5.7665 -5.6004 -5.6004 -5.5139 -5.5139 -5.2280 -5.2280 -5.0952 -5.0952 -4.7353 -4.7353 -4.5741 -4.5741 -4.4221 -4.4221 -3.2025 -3.2025 -3.1036 -3.1036 -3.0275 -3.0275 -2.9642 -2.9642 -2.0760 -2.0760 -1.9177 -1.9177 0.1143 0.1143 0.2848 0.2848 0.7070 0.7070 1.0024 1.0024 5.7280 5.7280 6.1795 6.1795 6.3750 6.3750 6.4988 6.4988 6.9417 6.9417 k = 0.0500-0.0369-0.0111 ( 7407 PWs) bands (ev): -17.6985 -17.6985 -17.5314 -17.5314 -13.4983 -13.4983 -13.3606 -13.3606 -12.2887 -12.2887 -12.1708 -12.1708 -9.4475 -9.4475 -9.2805 -9.2805 -5.7671 -5.7671 -5.6017 -5.6017 -5.5175 -5.5175 -5.2289 -5.2289 -5.1003 -5.1003 -4.7309 -4.7309 -4.5736 -4.5736 -4.4217 -4.4217 -3.1973 -3.1973 -3.1035 -3.1035 -3.0333 -3.0333 -2.9663 -2.9663 -2.0710 -2.0710 -1.9284 -1.9284 0.1119 0.1119 0.2846 0.2846 0.7119 0.7119 1.0004 1.0004 5.7337 5.7337 6.2157 6.2157 6.3765 6.3765 6.4953 6.4953 6.9101 6.9101 k = 0.0375-0.0277-0.0083 ( 7405 PWs) bands (ev): -17.6994 -17.6994 -17.5317 -17.5317 -13.4925 -13.4925 -13.3626 -13.3626 -12.2890 -12.2890 -12.1708 -12.1708 -9.4450 -9.4450 -9.2817 -9.2817 -5.7676 -5.7676 -5.6027 -5.6027 -5.5205 -5.5205 -5.2294 -5.2294 -5.1043 -5.1043 -4.7275 -4.7275 -4.5731 -4.5731 -4.4214 -4.4214 -3.1929 -3.1929 -3.1028 -3.1028 -3.0393 -3.0393 -2.9676 -2.9676 -2.0663 -2.0663 -1.9376 -1.9376 0.1099 0.1099 0.2844 0.2844 0.7160 0.7160 0.9986 0.9986 5.7381 5.7381 6.2502 6.2502 6.3736 6.3736 6.4944 6.4944 6.8770 6.8770 k = 0.0250-0.0185-0.0055 ( 7403 PWs) bands (ev): -17.7001 -17.7001 -17.5320 -17.5320 -13.4881 -13.4881 -13.3642 -13.3642 -12.2893 -12.2893 -12.1707 -12.1707 -9.4431 -9.4431 -9.2826 -9.2826 -5.7680 -5.7680 -5.6034 -5.6034 -5.5226 -5.5226 -5.2298 -5.2298 -5.1074 -5.1074 -4.7250 -4.7250 -4.5728 -4.5728 -4.4211 -4.4211 -3.1894 -3.1894 -3.1017 -3.1017 -3.0446 -3.0446 -2.9685 -2.9685 -2.0623 -2.0623 -1.9447 -1.9447 0.1085 0.1085 0.2842 0.2842 0.7191 0.7191 0.9973 0.9973 5.7412 5.7412 6.2818 6.2818 6.3658 6.3658 6.4957 6.4957 6.8486 6.8486 k = 0.0125-0.0092-0.0028 ( 7410 PWs) bands (ev): -17.7005 -17.7005 -17.5322 -17.5322 -13.4854 -13.4854 -13.3653 -13.3653 -12.2895 -12.2895 -12.1707 -12.1707 -9.4420 -9.4420 -9.2832 -9.2832 -5.7683 -5.7683 -5.6039 -5.6039 -5.5239 -5.5239 -5.2300 -5.2300 -5.1092 -5.1092 -4.7235 -4.7235 -4.5726 -4.5726 -4.4210 -4.4210 -3.1872 -3.1872 -3.1007 -3.1007 -3.0483 -3.0483 -2.9689 -2.9689 -2.0595 -2.0595 -1.9494 -1.9494 0.1077 0.1077 0.2842 0.2842 0.7210 0.7210 0.9964 0.9964 5.7431 5.7431 6.3093 6.3093 6.3531 6.3531 6.4976 6.4976 6.8294 6.8294 k = 0.0000 0.0000 0.0000 ( 7403 PWs) bands (ev): -17.7006 -17.7006 -17.5322 -17.5322 -13.4845 -13.4845 -13.3657 -13.3657 -12.2895 -12.2895 -12.1707 -12.1707 -9.4416 -9.4416 -9.2834 -9.2834 -5.7683 -5.7683 -5.6040 -5.6040 -5.5243 -5.5243 -5.2300 -5.2300 -5.1098 -5.1098 -4.7230 -4.7230 -4.5726 -4.5726 -4.4210 -4.4210 -3.1865 -3.1865 -3.1002 -3.1002 -3.0496 -3.0496 -2.9691 -2.9691 -2.0585 -2.0585 -1.9510 -1.9510 0.1074 0.1074 0.2841 0.2841 0.7216 0.7216 0.9962 0.9962 5.7437 5.7437 6.3271 6.3271 6.3403 6.3403 6.4985 6.4985 6.8225 6.8225 k = 0.0000 0.0000 0.0000 ( 7403 PWs) bands (ev): -17.7006 -17.7006 -17.5322 -17.5322 -13.4845 -13.4845 -13.3657 -13.3657 -12.2895 -12.2895 -12.1707 -12.1707 -9.4416 -9.4416 -9.2834 -9.2834 -5.7683 -5.7683 -5.6040 -5.6040 -5.5243 -5.5243 -5.2300 -5.2300 -5.1098 -5.1098 -4.7230 -4.7230 -4.5726 -4.5726 -4.4210 -4.4210 -3.1865 -3.1865 -3.1002 -3.1002 -3.0496 -3.0496 -2.9691 -2.9691 -2.0585 -2.0585 -1.9510 -1.9510 0.1074 0.1074 0.2841 0.2841 0.7216 0.7216 0.9962 0.9962 5.7437 5.7437 6.3271 6.3271 6.3403 6.3403 6.4985 6.4985 6.8225 6.8225 k =-0.0125-0.0009 0.0091 ( 7406 PWs) bands (ev): -17.7005 -17.7005 -17.5322 -17.5322 -13.4851 -13.4851 -13.3656 -13.3656 -12.2895 -12.2895 -12.1708 -12.1708 -9.4417 -9.4417 -9.2832 -9.2832 -5.7679 -5.7679 -5.6035 -5.6035 -5.5238 -5.5238 -5.2304 -5.2304 -5.1094 -5.1094 -4.7232 -4.7232 -4.5725 -4.5725 -4.4213 -4.4213 -3.1869 -3.1869 -3.1011 -3.1011 -3.0492 -3.0492 -2.9686 -2.9686 -2.0598 -2.0598 -1.9495 -1.9495 0.1074 0.1074 0.2843 0.2843 0.7214 0.7214 0.9963 0.9963 5.7430 5.7430 6.3152 6.3152 6.3506 6.3506 6.4981 6.4981 6.8264 6.8264 k =-0.0250-0.0018 0.0182 ( 7404 PWs) bands (ev): -17.7000 -17.7000 -17.5322 -17.5322 -13.4870 -13.4870 -13.3652 -13.3652 -12.2894 -12.2894 -12.1712 -12.1712 -9.4422 -9.4422 -9.2827 -9.2827 -5.7666 -5.7666 -5.6020 -5.6020 -5.5223 -5.5223 -5.2315 -5.2315 -5.1081 -5.1081 -4.7240 -4.7240 -4.5723 -4.5723 -4.4222 -4.4222 -3.1880 -3.1880 -3.1037 -3.1037 -3.0480 -3.0480 -2.9674 -2.9674 -2.0634 -2.0634 -1.9451 -1.9451 0.1073 0.1073 0.2848 0.2848 0.7208 0.7208 0.9966 0.9966 5.7407 5.7407 6.2971 6.2971 6.3639 6.3639 6.4970 6.4970 6.8377 6.8377 k =-0.0375-0.0028 0.0274 ( 7403 PWs) bands (ev): -17.6992 -17.6992 -17.5321 -17.5321 -13.4901 -13.4901 -13.3646 -13.3646 -12.2892 -12.2892 -12.1719 -12.1719 -9.4430 -9.4430 -9.2817 -9.2817 -5.7644 -5.7644 -5.5994 -5.5994 -5.5198 -5.5198 -5.2333 -5.2333 -5.1060 -5.1060 -4.7253 -4.7253 -4.5720 -4.5720 -4.4237 -4.4237 -3.1897 -3.1897 -3.1081 -3.1081 -3.0458 -3.0458 -2.9655 -2.9655 -2.0689 -2.0689 -1.9385 -1.9385 0.1072 0.1072 0.2855 0.2855 0.7197 0.7197 0.9971 0.9971 5.7371 5.7371 6.2769 6.2769 6.3760 6.3760 6.4960 6.4960 6.8556 6.8556 k =-0.0500-0.0037 0.0365 ( 7403 PWs) bands (ev): -17.6981 -17.6981 -17.5319 -17.5319 -13.4943 -13.4943 -13.3640 -13.3640 -12.2889 -12.2889 -12.1728 -12.1728 -9.4440 -9.4440 -9.2805 -9.2805 -5.7613 -5.7613 -5.5960 -5.5960 -5.5163 -5.5163 -5.2356 -5.2356 -5.1032 -5.1032 -4.7272 -4.7272 -4.5715 -4.5715 -4.4259 -4.4259 -3.1919 -3.1919 -3.1142 -3.1142 -3.0429 -3.0429 -2.9631 -2.9631 -2.0755 -2.0755 -1.9300 -1.9300 0.1071 0.1071 0.2866 0.2866 0.7184 0.7184 0.9978 0.9978 5.7322 5.7322 6.2551 6.2551 6.3866 6.3866 6.4958 6.4958 6.8791 6.8791 k =-0.0625-0.0046 0.0456 ( 7406 PWs) bands (ev): -17.6967 -17.6967 -17.5317 -17.5317 -13.4994 -13.4994 -13.3634 -13.3634 -12.2885 -12.2885 -12.1740 -12.1740 -9.4452 -9.4452 -9.2790 -9.2790 -5.7574 -5.7574 -5.5916 -5.5916 -5.5118 -5.5118 -5.2383 -5.2383 -5.0999 -5.0999 -4.7295 -4.7295 -4.5710 -4.5710 -4.4286 -4.4286 -3.1944 -3.1944 -3.1217 -3.1217 -3.0392 -3.0392 -2.9604 -2.9604 -2.0830 -2.0830 -1.9203 -1.9203 0.1070 0.1070 0.2878 0.2878 0.7167 0.7167 0.9985 0.9985 5.7262 5.7262 6.2317 6.2317 6.3955 6.3955 6.4970 6.4970 6.9069 6.9069 k =-0.0750-0.0055 0.0547 ( 7406 PWs) bands (ev): -17.6950 -17.6950 -17.5315 -17.5315 -13.5053 -13.5053 -13.3630 -13.3630 -12.2881 -12.2881 -12.1754 -12.1754 -9.4465 -9.4465 -9.2772 -9.2772 -5.7526 -5.7526 -5.5863 -5.5863 -5.5064 -5.5064 -5.2412 -5.2412 -5.0961 -5.0961 -4.7322 -4.7322 -4.5704 -4.5704 -4.4319 -4.4319 -3.1971 -3.1971 -3.1305 -3.1305 -3.0351 -3.0351 -2.9575 -2.9575 -2.0908 -2.0908 -1.9097 -1.9097 0.1070 0.1070 0.2893 0.2893 0.7147 0.7147 0.9992 0.9992 5.7191 5.7191 6.2069 6.2069 6.4031 6.4031 6.5000 6.5000 6.9377 6.9377 k =-0.0875-0.0064 0.0638 ( 7406 PWs) bands (ev): -17.6930 -17.6930 -17.5313 -17.5313 -13.5119 -13.5119 -13.3628 -13.3628 -12.2876 -12.2876 -12.1771 -12.1771 -9.4480 -9.4480 -9.2752 -9.2752 -5.7471 -5.7471 -5.5804 -5.5804 -5.5001 -5.5001 -5.2443 -5.2443 -5.0919 -5.0919 -4.7355 -4.7355 -4.5698 -4.5698 -4.4357 -4.4357 -3.1998 -3.1998 -3.1403 -3.1403 -3.0307 -3.0307 -2.9545 -2.9545 -2.0987 -2.0987 -1.8984 -1.8984 0.1071 0.1071 0.2910 0.2910 0.7126 0.7126 0.9998 0.9998 5.7114 5.7114 6.1809 6.1809 6.4095 6.4095 6.5048 6.5048 6.9699 6.9699 k =-0.1000-0.0074 0.0730 ( 7402 PWs) bands (ev): -17.6907 -17.6907 -17.5310 -17.5310 -13.5191 -13.5191 -13.3630 -13.3630 -12.2869 -12.2869 -12.1790 -12.1790 -9.4494 -9.4494 -9.2731 -9.2731 -5.7407 -5.7407 -5.5738 -5.5738 -5.4929 -5.4929 -5.2474 -5.2474 -5.0876 -5.0876 -4.7391 -4.7391 -4.5693 -4.5693 -4.4400 -4.4400 -3.2025 -3.2025 -3.1508 -3.1508 -3.0263 -3.0263 -2.9515 -2.9515 -2.1065 -2.1065 -1.8867 -1.8867 0.1073 0.1073 0.2929 0.2929 0.7102 0.7102 1.0003 1.0003 5.7030 5.7030 6.1537 6.1537 6.4151 6.4151 6.5109 6.5109 7.0010 7.0010 k =-0.1125-0.0083 0.0821 ( 7400 PWs) bands (ev): -17.6882 -17.6882 -17.5306 -17.5306 -13.5266 -13.5266 -13.3637 -13.3637 -12.2863 -12.2863 -12.1812 -12.1812 -9.4508 -9.4508 -9.2709 -9.2709 -5.7336 -5.7336 -5.5666 -5.5666 -5.4849 -5.4849 -5.2503 -5.2503 -5.0830 -5.0830 -4.7432 -4.7432 -4.5688 -4.5688 -4.4447 -4.4447 -3.2052 -3.2052 -3.1618 -3.1618 -3.0220 -3.0220 -2.9487 -2.9487 -2.1140 -2.1140 -1.8748 -1.8748 0.1077 0.1077 0.2948 0.2948 0.7078 0.7078 1.0004 1.0004 5.6942 5.6942 6.1255 6.1255 6.4202 6.4202 6.5180 6.5180 7.0257 7.0257 k =-0.1250-0.0092 0.0912 ( 7391 PWs) bands (ev): -17.6855 -17.6855 -17.5302 -17.5302 -13.5345 -13.5345 -13.3648 -13.3648 -12.2855 -12.2855 -12.1835 -12.1835 -9.4521 -9.4521 -9.2687 -9.2687 -5.7258 -5.7258 -5.5591 -5.5591 -5.4760 -5.4760 -5.2531 -5.2531 -5.0783 -5.0783 -4.7477 -4.7477 -4.5685 -4.5685 -4.4497 -4.4497 -3.2080 -3.2080 -3.1728 -3.1728 -3.0181 -3.0181 -2.9459 -2.9459 -2.1211 -2.1211 -1.8626 -1.8626 0.1083 0.1083 0.2969 0.2969 0.7053 0.7053 1.0002 1.0002 5.6852 5.6852 6.0967 6.0967 6.4248 6.4248 6.5257 6.5257 7.0332 7.0332 k =-0.1375-0.0101 0.1003 ( 7392 PWs) bands (ev): -17.6825 -17.6825 -17.5298 -17.5298 -13.5426 -13.5426 -13.3666 -13.3666 -12.2846 -12.2846 -12.1861 -12.1861 -9.4532 -9.4532 -9.2665 -9.2665 -5.7173 -5.7173 -5.5513 -5.5513 -5.4664 -5.4664 -5.2555 -5.2555 -5.0735 -5.0735 -4.7525 -4.7525 -4.5684 -4.5684 -4.4550 -4.4550 -3.2114 -3.2114 -3.1831 -3.1831 -3.0147 -3.0147 -2.9433 -2.9433 -2.1275 -2.1275 -1.8504 -1.8504 0.1092 0.1092 0.2990 0.2990 0.7028 0.7028 0.9996 0.9996 5.6761 5.6761 6.0672 6.0672 6.4289 6.4289 6.5335 6.5335 7.0192 7.0192 k =-0.1500-0.0110 0.1095 ( 7395 PWs) bands (ev): -17.6793 -17.6793 -17.5294 -17.5294 -13.5508 -13.5508 -13.3689 -13.3689 -12.2837 -12.2837 -12.1888 -12.1888 -9.4541 -9.4541 -9.2643 -9.2643 -5.7082 -5.7082 -5.5433 -5.5433 -5.4560 -5.4560 -5.2576 -5.2576 -5.0688 -5.0688 -4.7577 -4.7577 -4.5687 -4.5687 -4.4603 -4.4603 -3.2165 -3.2165 -3.1915 -3.1915 -3.0119 -3.0119 -2.9410 -2.9410 -2.1332 -2.1332 -1.8383 -1.8383 0.1103 0.1103 0.3012 0.3012 0.7002 0.7002 0.9984 0.9984 5.6670 5.6670 6.0373 6.0373 6.4323 6.4323 6.5408 6.5408 6.9938 6.9938 k =-0.1625-0.0120 0.1186 ( 7393 PWs) bands (ev): -17.6759 -17.6759 -17.5289 -17.5289 -13.5590 -13.5590 -13.3719 -13.3719 -12.2827 -12.2827 -12.1917 -12.1917 -9.4547 -9.4547 -9.2623 -9.2623 -5.6985 -5.6985 -5.5354 -5.5354 -5.4448 -5.4448 -5.2594 -5.2594 -5.0640 -5.0640 -4.7633 -4.7633 -4.5694 -4.5694 -4.4655 -4.4655 -3.2243 -3.2243 -3.1968 -3.1968 -3.0098 -3.0098 -2.9391 -2.9391 -2.1381 -2.1381 -1.8261 -1.8261 0.1118 0.1118 0.3034 0.3034 0.6976 0.6976 0.9968 0.9968 5.6579 5.6579 6.0072 6.0072 6.4348 6.4348 6.5472 6.5472 6.9629 6.9629 k =-0.1750-0.0129 0.1277 ( 7389 PWs) bands (ev): -17.6724 -17.6724 -17.5283 -17.5283 -13.5672 -13.5672 -13.3755 -13.3755 -12.2816 -12.2816 -12.1947 -12.1947 -9.4551 -9.4551 -9.2603 -9.2603 -5.6882 -5.6882 -5.5275 -5.5275 -5.4329 -5.4329 -5.2606 -5.2606 -5.0594 -5.0594 -4.7693 -4.7693 -4.5708 -4.5708 -4.4704 -4.4704 -3.2343 -3.2343 -3.1993 -3.1993 -3.0085 -3.0085 -2.9375 -2.9375 -2.1420 -2.1420 -1.8142 -1.8142 0.1136 0.1136 0.3055 0.3055 0.6950 0.6950 0.9946 0.9946 5.6488 5.6488 5.9769 5.9769 6.4360 6.4360 6.5519 6.5519 6.9291 6.9291 k =-0.1875-0.0138 0.1368 ( 7390 PWs) bands (ev): -17.6687 -17.6687 -17.5278 -17.5278 -13.5753 -13.5753 -13.3798 -13.3798 -12.2804 -12.2804 -12.1979 -12.1979 -9.4551 -9.4551 -9.2584 -9.2584 -5.6775 -5.6775 -5.5198 -5.5198 -5.4204 -5.4204 -5.2615 -5.2615 -5.0548 -5.0548 -4.7756 -4.7756 -4.5730 -4.5730 -4.4748 -4.4748 -3.2455 -3.2455 -3.1999 -3.1999 -3.0080 -3.0080 -2.9364 -2.9364 -2.1448 -2.1448 -1.8025 -1.8025 0.1157 0.1157 0.3077 0.3077 0.6924 0.6924 0.9918 0.9918 5.6397 5.6397 5.9466 5.9466 6.4355 6.4355 6.5543 6.5543 6.8939 6.8939 k =-0.2000-0.0147 0.1459 ( 7389 PWs) bands (ev): -17.6649 -17.6649 -17.5272 -17.5272 -13.5832 -13.5832 -13.3848 -13.3848 -12.2791 -12.2791 -12.2011 -12.2011 -9.4548 -9.4548 -9.2568 -9.2568 -5.6663 -5.6663 -5.5124 -5.5124 -5.4073 -5.4073 -5.2619 -5.2619 -5.0503 -5.0503 -4.7823 -4.7823 -4.5761 -4.5761 -4.4785 -4.4785 -3.2570 -3.2570 -3.1995 -3.1995 -3.0083 -3.0083 -2.9358 -2.9358 -2.1464 -2.1464 -1.7910 -1.7910 0.1183 0.1183 0.3097 0.3097 0.6898 0.6898 0.9883 0.9883 5.6306 5.6306 5.9164 5.9164 6.4328 6.4328 6.5539 6.5539 6.8588 6.8588 k =-0.2125-0.0157 0.1551 ( 7390 PWs) bands (ev): -17.6610 -17.6610 -17.5265 -17.5265 -13.5909 -13.5909 -13.3904 -13.3904 -12.2778 -12.2778 -12.2045 -12.2045 -9.4541 -9.4541 -9.2553 -9.2553 -5.6548 -5.6548 -5.5054 -5.5054 -5.3937 -5.3937 -5.2618 -5.2618 -5.0460 -5.0460 -4.7894 -4.7894 -4.5804 -4.5804 -4.4812 -4.4812 -3.2684 -3.2684 -3.1983 -3.1983 -3.0095 -3.0095 -2.9359 -2.9359 -2.1468 -2.1468 -1.7799 -1.7799 0.1212 0.1212 0.3118 0.3118 0.6872 0.6872 0.9843 0.9843 5.6212 5.6212 5.8863 5.8863 6.4271 6.4271 6.5502 6.5502 6.8256 6.8256 k =-0.2250-0.0166 0.1642 ( 7389 PWs) bands (ev): -17.6570 -17.6570 -17.5259 -17.5259 -13.5982 -13.5982 -13.3967 -13.3967 -12.2765 -12.2765 -12.2078 -12.2078 -9.4530 -9.4530 -9.2540 -9.2540 -5.6429 -5.6429 -5.4986 -5.4986 -5.3796 -5.3796 -5.2613 -5.2613 -5.0419 -5.0419 -4.7969 -4.7969 -4.5857 -4.5857 -4.4829 -4.4829 -3.2794 -3.2794 -3.1965 -3.1965 -3.0113 -3.0113 -2.9367 -2.9367 -2.1458 -2.1458 -1.7691 -1.7691 0.1245 0.1245 0.3137 0.3137 0.6845 0.6845 0.9797 0.9797 5.6114 5.6114 5.8566 5.8566 6.4179 6.4179 6.5433 6.5433 6.7954 6.7954 k =-0.2375-0.0175 0.1733 ( 7387 PWs) bands (ev): -17.6530 -17.6530 -17.5252 -17.5252 -13.6052 -13.6052 -13.4036 -13.4036 -12.2751 -12.2751 -12.2113 -12.2113 -9.4516 -9.4516 -9.2529 -9.2529 -5.6308 -5.6308 -5.4922 -5.4922 -5.3653 -5.3653 -5.2604 -5.2604 -5.0380 -5.0380 -4.8047 -4.8047 -4.5921 -4.5921 -4.4835 -4.4835 -3.2901 -3.2901 -3.1942 -3.1942 -3.0139 -3.0139 -2.9382 -2.9382 -2.1435 -2.1435 -1.7588 -1.7588 0.1282 0.1282 0.3156 0.3156 0.6818 0.6818 0.9745 0.9745 5.6011 5.6011 5.8271 5.8271 6.4047 6.4047 6.5336 6.5336 6.7696 6.7696 k =-0.2500-0.0184 0.1824 ( 7391 PWs) bands (ev): -17.6490 -17.6490 -17.5244 -17.5244 -13.6118 -13.6118 -13.4110 -13.4110 -12.2737 -12.2737 -12.2147 -12.2147 -9.4498 -9.4498 -9.2520 -9.2520 -5.6184 -5.6184 -5.4860 -5.4860 -5.3508 -5.3508 -5.2591 -5.2591 -5.0343 -5.0343 -4.8129 -4.8129 -4.5994 -4.5994 -4.4831 -4.4831 -3.3001 -3.3001 -3.1917 -3.1917 -3.0172 -3.0172 -2.9404 -2.9404 -2.1398 -2.1398 -1.7489 -1.7489 0.1323 0.1323 0.3173 0.3173 0.6790 0.6790 0.9688 0.9688 5.5901 5.5901 5.7980 5.7980 6.3874 6.3874 6.5217 6.5217 6.7487 6.7487 k =-0.2625-0.0193 0.1915 ( 7389 PWs) bands (ev): -17.6450 -17.6450 -17.5237 -17.5237 -13.6178 -13.6178 -13.4191 -13.4191 -12.2722 -12.2722 -12.2181 -12.2181 -9.4476 -9.4476 -9.2514 -9.2514 -5.6060 -5.6060 -5.4801 -5.4801 -5.3363 -5.3363 -5.2574 -5.2574 -5.0309 -5.0309 -4.8215 -4.8215 -4.6075 -4.6075 -4.4818 -4.4818 -3.3095 -3.3095 -3.1888 -3.1888 -3.0212 -3.0212 -2.9433 -2.9433 -2.1348 -2.1348 -1.7396 -1.7396 0.1367 0.1367 0.3189 0.3189 0.6761 0.6761 0.9627 0.9627 5.5782 5.5782 5.7692 5.7692 6.3664 6.3664 6.5081 6.5081 6.7333 6.7333 k =-0.2750-0.0203 0.2007 ( 7392 PWs) bands (ev): -17.6410 -17.6410 -17.5229 -17.5229 -13.6234 -13.6234 -13.4276 -13.4276 -12.2707 -12.2707 -12.2214 -12.2214 -9.4451 -9.4451 -9.2509 -9.2509 -5.5936 -5.5936 -5.4744 -5.4744 -5.3220 -5.3220 -5.2553 -5.2553 -5.0277 -5.0277 -4.8305 -4.8305 -4.6161 -4.6161 -4.4796 -4.4796 -3.3181 -3.3181 -3.1859 -3.1859 -3.0257 -3.0257 -2.9467 -2.9467 -2.1285 -2.1285 -1.7308 -1.7308 0.1416 0.1416 0.3204 0.3204 0.6731 0.6731 0.9561 0.9561 5.5654 5.5654 5.7406 5.7406 6.3427 6.3427 6.4933 6.4933 6.7231 6.7231 k =-0.2875-0.0212 0.2098 ( 7389 PWs) bands (ev): -17.6371 -17.6371 -17.5221 -17.5221 -13.6285 -13.6285 -13.4366 -13.4366 -12.2692 -12.2692 -12.2247 -12.2247 -9.4423 -9.4423 -9.2508 -9.2508 -5.5811 -5.5811 -5.4688 -5.4688 -5.3082 -5.3082 -5.2525 -5.2525 -5.0249 -5.0249 -4.8398 -4.8398 -4.6251 -4.6251 -4.4769 -4.4769 -3.3260 -3.3260 -3.1829 -3.1829 -3.0308 -3.0308 -2.9506 -2.9506 -2.1211 -2.1211 -1.7226 -1.7226 0.1467 0.1467 0.3217 0.3217 0.6701 0.6701 0.9492 0.9492 5.5517 5.5517 5.7122 5.7122 6.3175 6.3175 6.4776 6.4776 6.7177 6.7177 k =-0.3000-0.0221 0.2189 ( 7394 PWs) bands (ev): -17.6333 -17.6333 -17.5213 -17.5213 -13.6329 -13.6329 -13.4460 -13.4460 -12.2678 -12.2678 -12.2280 -12.2280 -9.4392 -9.4392 -9.2508 -9.2508 -5.5688 -5.5688 -5.4634 -5.4634 -5.2954 -5.2954 -5.2489 -5.2489 -5.0224 -5.0224 -4.8494 -4.8494 -4.6342 -4.6342 -4.4735 -4.4735 -3.3331 -3.3331 -3.1801 -3.1801 -3.0364 -3.0364 -2.9548 -2.9548 -2.1125 -2.1125 -1.7150 -1.7150 0.1522 0.1522 0.3228 0.3228 0.6669 0.6669 0.9421 0.9421 5.5370 5.5370 5.6840 5.6840 6.2920 6.2920 6.4614 6.4614 6.7167 6.7167 k =-0.3125-0.0230 0.2280 ( 7398 PWs) bands (ev): -17.6296 -17.6296 -17.5204 -17.5204 -13.6367 -13.6367 -13.4557 -13.4557 -12.2663 -12.2663 -12.2311 -12.2311 -9.4358 -9.4358 -9.2511 -9.2511 -5.5567 -5.5567 -5.4580 -5.4580 -5.2843 -5.2843 -5.2437 -5.2437 -5.0203 -5.0203 -4.8594 -4.8594 -4.6434 -4.6434 -4.4698 -4.4698 -3.3393 -3.3393 -3.1775 -3.1775 -3.0424 -3.0424 -2.9592 -2.9592 -2.1030 -2.1030 -1.7080 -1.7080 0.1580 0.1580 0.3237 0.3237 0.6637 0.6637 0.9348 0.9348 5.5216 5.5216 5.6560 5.6560 6.2670 6.2670 6.4450 6.4450 6.7195 6.7195 k =-0.3250-0.0239 0.2371 ( 7403 PWs) bands (ev): -17.6261 -17.6261 -17.5196 -17.5196 -13.6398 -13.6398 -13.4657 -13.4657 -12.2649 -12.2649 -12.2341 -12.2341 -9.4322 -9.4322 -9.2515 -9.2515 -5.5449 -5.5449 -5.4527 -5.4527 -5.2755 -5.2755 -5.2364 -5.2364 -5.0186 -5.0186 -4.8695 -4.8695 -4.6525 -4.6525 -4.4657 -4.4657 -3.3446 -3.3446 -3.1752 -3.1752 -3.0489 -3.0489 -2.9634 -2.9634 -2.0927 -2.0927 -1.7017 -1.7017 0.1640 0.1640 0.3244 0.3244 0.6604 0.6604 0.9274 0.9274 5.5057 5.5057 5.6280 5.6280 6.2433 6.2433 6.4289 6.4289 6.7253 6.7253 k =-0.3375-0.0249 0.2463 ( 7404 PWs) bands (ev): -17.6227 -17.6227 -17.5187 -17.5187 -13.6423 -13.6423 -13.4759 -13.4759 -12.2635 -12.2635 -12.2370 -12.2370 -9.4285 -9.4285 -9.2522 -9.2522 -5.5334 -5.5334 -5.4474 -5.4474 -5.2694 -5.2694 -5.2269 -5.2269 -5.0174 -5.0174 -4.8799 -4.8799 -4.6613 -4.6613 -4.4614 -4.4614 -3.3492 -3.3492 -3.1734 -3.1734 -3.0558 -3.0558 -2.9674 -2.9674 -2.0819 -2.0819 -1.6961 -1.6961 0.1703 0.1703 0.3248 0.3248 0.6571 0.6571 0.9200 0.9200 5.4894 5.4894 5.6004 5.6004 6.2214 6.2214 6.4134 6.4134 6.7337 6.7337 k =-0.3500-0.0258 0.2554 ( 7406 PWs) bands (ev): -17.6195 -17.6195 -17.5179 -17.5179 -13.6441 -13.6441 -13.4863 -13.4863 -12.2622 -12.2622 -12.2397 -12.2397 -9.4246 -9.4246 -9.2530 -9.2530 -5.5224 -5.5224 -5.4422 -5.4422 -5.2652 -5.2652 -5.2158 -5.2158 -5.0166 -5.0166 -4.8903 -4.8903 -4.6697 -4.6697 -4.4569 -4.4569 -3.3529 -3.3529 -3.1720 -3.1720 -3.0631 -3.0631 -2.9709 -2.9709 -2.0706 -2.0706 -1.6911 -1.6911 0.1768 0.1768 0.3250 0.3250 0.6537 0.6537 0.9126 0.9126 5.4730 5.4730 5.5731 5.5731 6.2013 6.2013 6.3987 6.3987 6.7443 6.7443 k =-0.3625-0.0267 0.2645 ( 7404 PWs) bands (ev): -17.6165 -17.6165 -17.5171 -17.5171 -13.6451 -13.6451 -13.4968 -13.4968 -12.2609 -12.2609 -12.2422 -12.2422 -9.4207 -9.4207 -9.2540 -9.2540 -5.5118 -5.5118 -5.4371 -5.4371 -5.2624 -5.2624 -5.2039 -5.2039 -5.0163 -5.0163 -4.9008 -4.9008 -4.6777 -4.6777 -4.4523 -4.4523 -3.3558 -3.3558 -3.1712 -3.1712 -3.0707 -3.0707 -2.9738 -2.9738 -2.0591 -2.0591 -1.6867 -1.6867 0.1833 0.1833 0.3249 0.3249 0.6504 0.6504 0.9055 0.9055 5.4569 5.4569 5.5464 5.5464 6.1833 6.1833 6.3851 6.3851 6.7565 6.7565 k =-0.3750-0.0276 0.2736 ( 7403 PWs) bands (ev): -17.6137 -17.6137 -17.5163 -17.5163 -13.6455 -13.6455 -13.5073 -13.5073 -12.2597 -12.2597 -12.2446 -12.2446 -9.4168 -9.4168 -9.2552 -9.2552 -5.5018 -5.5018 -5.4323 -5.4323 -5.2602 -5.2602 -5.1916 -5.1916 -5.0166 -5.0166 -4.9112 -4.9112 -4.6852 -4.6852 -4.4478 -4.4478 -3.3580 -3.3580 -3.1709 -3.1709 -3.0786 -3.0786 -2.9760 -2.9760 -2.0476 -2.0476 -1.6830 -1.6830 0.1900 0.1900 0.3245 0.3245 0.6471 0.6471 0.8986 0.8986 5.4413 5.4413 5.5206 5.5206 6.1673 6.1673 6.3727 6.3727 6.7699 6.7699 k =-0.3875-0.0285 0.2828 ( 7401 PWs) bands (ev): -17.6111 -17.6111 -17.5155 -17.5155 -13.6451 -13.6451 -13.5177 -13.5177 -12.2586 -12.2586 -12.2467 -12.2467 -9.4129 -9.4129 -9.2564 -9.2564 -5.4922 -5.4922 -5.4278 -5.4278 -5.2585 -5.2585 -5.1793 -5.1793 -5.0175 -5.0175 -4.9214 -4.9214 -4.6920 -4.6920 -4.4434 -4.4434 -3.3595 -3.3595 -3.1710 -3.1710 -3.0867 -3.0867 -2.9775 -2.9775 -2.0363 -2.0363 -1.6799 -1.6799 0.1966 0.1966 0.3238 0.3238 0.6439 0.6439 0.8921 0.8921 5.4265 5.4265 5.4960 5.4960 6.1532 6.1532 6.3615 6.3615 6.7841 6.7841 k =-0.4000-0.0295 0.2919 ( 7413 PWs) bands (ev): -17.6088 -17.6088 -17.5148 -17.5148 -13.6440 -13.6440 -13.5280 -13.5280 -12.2576 -12.2576 -12.2487 -12.2487 -9.4092 -9.4092 -9.2577 -9.2577 -5.4833 -5.4833 -5.4239 -5.4239 -5.2570 -5.2570 -5.1673 -5.1673 -5.0191 -5.0191 -4.9312 -4.9312 -4.6983 -4.6983 -4.4391 -4.4391 -3.3605 -3.3605 -3.1714 -3.1714 -3.0949 -3.0949 -2.9784 -2.9784 -2.0255 -2.0255 -1.6774 -1.6774 0.2031 0.2031 0.3229 0.3229 0.6408 0.6408 0.8860 0.8860 5.4127 5.4127 5.4728 5.4728 6.1410 6.1410 6.3516 6.3516 6.7986 6.7986 k =-0.4125-0.0304 0.3010 ( 7410 PWs) bands (ev): -17.6067 -17.6067 -17.5141 -17.5141 -13.6422 -13.6422 -13.5380 -13.5380 -12.2566 -12.2566 -12.2505 -12.2505 -9.4056 -9.4056 -9.2590 -9.2590 -5.4748 -5.4748 -5.4207 -5.4207 -5.2556 -5.2556 -5.1556 -5.1556 -5.0214 -5.0214 -4.9404 -4.9404 -4.7038 -4.7038 -4.4352 -4.4352 -3.3609 -3.3609 -3.1719 -3.1719 -3.1029 -3.1029 -2.9787 -2.9787 -2.0153 -2.0153 -1.6754 -1.6754 0.2095 0.2095 0.3217 0.3217 0.6379 0.6379 0.8805 0.8805 5.4003 5.4003 5.4513 5.4513 6.1305 6.1305 6.3429 6.3429 6.8131 6.8131 k =-0.4250-0.0313 0.3101 ( 7412 PWs) bands (ev): -17.6049 -17.6049 -17.5135 -17.5135 -13.6398 -13.6398 -13.5477 -13.5477 -12.2558 -12.2558 -12.2520 -12.2520 -9.4024 -9.4024 -9.2603 -9.2603 -5.4670 -5.4670 -5.4183 -5.4183 -5.2541 -5.2541 -5.1444 -5.1444 -5.0244 -5.0244 -4.9489 -4.9489 -4.7086 -4.7086 -4.4315 -4.4315 -3.3610 -3.3610 -3.1725 -3.1725 -3.1107 -3.1107 -2.9786 -2.9786 -2.0059 -2.0059 -1.6738 -1.6738 0.2155 0.2155 0.3203 0.3203 0.6353 0.6353 0.8755 0.8755 5.3893 5.3893 5.4319 5.4319 6.1216 6.1216 6.3355 6.3355 6.8269 6.8269 k =-0.4375-0.0322 0.3192 ( 7419 PWs) bands (ev): -17.6034 -17.6034 -17.5130 -17.5130 -13.6368 -13.6368 -13.5570 -13.5570 -12.2551 -12.2551 -12.2533 -12.2533 -9.3994 -9.3994 -9.2615 -9.2615 -5.4596 -5.4596 -5.4168 -5.4168 -5.2527 -5.2527 -5.1338 -5.1338 -5.0281 -5.0281 -4.9564 -4.9564 -4.7127 -4.7127 -4.4283 -4.4283 -3.3608 -3.3608 -3.1730 -3.1730 -3.1181 -3.1181 -2.9782 -2.9782 -1.9976 -1.9976 -1.6727 -1.6727 0.2211 0.2211 0.3188 0.3188 0.6330 0.6330 0.8712 0.8712 5.3800 5.3800 5.4147 5.4147 6.1142 6.1142 6.3293 6.3293 6.8397 6.8397 k =-0.4500-0.0331 0.3284 ( 7424 PWs) bands (ev): -17.6021 -17.6021 -17.5125 -17.5125 -13.6333 -13.6333 -13.5657 -13.5657 -12.2546 -12.2546 -12.2544 -12.2544 -9.3969 -9.3969 -9.2626 -9.2626 -5.4530 -5.4530 -5.4163 -5.4163 -5.2513 -5.2513 -5.1239 -5.1239 -5.0324 -5.0324 -4.9627 -4.9627 -4.7160 -4.7160 -4.4256 -4.4256 -3.3604 -3.3604 -3.1732 -3.1732 -3.1248 -3.1248 -2.9776 -2.9776 -1.9905 -1.9905 -1.6719 -1.6719 0.2261 0.2261 0.3172 0.3172 0.6310 0.6310 0.8676 0.8676 5.3726 5.3726 5.3999 5.3999 6.1082 6.1082 6.3242 6.3242 6.8510 6.8510 k =-0.4625-0.0341 0.3375 ( 7424 PWs) bands (ev): -17.6011 -17.6011 -17.5122 -17.5122 -13.6295 -13.6295 -13.5736 -13.5736 -12.2552 -12.2552 -12.2541 -12.2541 -9.3949 -9.3949 -9.2635 -9.2635 -5.4470 -5.4470 -5.4166 -5.4166 -5.2500 -5.2500 -5.1150 -5.1150 -5.0370 -5.0370 -4.9677 -4.9677 -4.7186 -4.7186 -4.4234 -4.4234 -3.3599 -3.3599 -3.1732 -3.1732 -3.1305 -3.1305 -2.9771 -2.9771 -1.9848 -1.9848 -1.6713 -1.6713 0.2302 0.2302 0.3157 0.3157 0.6294 0.6294 0.8648 0.8648 5.3673 5.3673 5.3877 5.3877 6.1037 6.1037 6.3203 6.3203 6.8603 6.8603 k =-0.4750-0.0350 0.3466 ( 7423 PWs) bands (ev): -17.6004 -17.6004 -17.5119 -17.5119 -13.6258 -13.6258 -13.5802 -13.5802 -12.2558 -12.2558 -12.2538 -12.2538 -9.3934 -9.3934 -9.2642 -9.2642 -5.4420 -5.4420 -5.4176 -5.4176 -5.2490 -5.2490 -5.1077 -5.1077 -5.0415 -5.0415 -4.9713 -4.9713 -4.7205 -4.7205 -4.4218 -4.4218 -3.3595 -3.3595 -3.1730 -3.1730 -3.1350 -3.1350 -2.9766 -2.9766 -1.9806 -1.9806 -1.6710 -1.6710 0.2334 0.2334 0.3145 0.3145 0.6282 0.6282 0.8627 0.8627 5.3642 5.3642 5.3782 5.3782 6.1005 6.1005 6.3176 6.3176 6.8672 6.8672 k =-0.4875-0.0359 0.3557 ( 7420 PWs) bands (ev): -17.6000 -17.6000 -17.5117 -17.5117 -13.6228 -13.6228 -13.5850 -13.5850 -12.2562 -12.2562 -12.2536 -12.2536 -9.3924 -9.3924 -9.2646 -9.2646 -5.4385 -5.4385 -5.4187 -5.4187 -5.2483 -5.2483 -5.1026 -5.1026 -5.0448 -5.0448 -4.9735 -4.9735 -4.7216 -4.7216 -4.4208 -4.4208 -3.3592 -3.3592 -3.1728 -3.1728 -3.1378 -3.1378 -2.9763 -2.9763 -1.9780 -1.9780 -1.6708 -1.6708 0.2354 0.2354 0.3137 0.3137 0.6275 0.6275 0.8614 0.8614 5.3631 5.3631 5.3716 5.3716 6.0986 6.0986 6.3159 6.3159 6.8715 6.8715 k =-0.5000-0.0368 0.3648 ( 7422 PWs) bands (ev): -17.5998 -17.5998 -17.5117 -17.5117 -13.6216 -13.6216 -13.5867 -13.5867 -12.2563 -12.2563 -12.2535 -12.2535 -9.3921 -9.3921 -9.2647 -9.2647 -5.4371 -5.4371 -5.4193 -5.4193 -5.2481 -5.2481 -5.1007 -5.1007 -5.0461 -5.0461 -4.9742 -4.9742 -4.7219 -4.7219 -4.4205 -4.4205 -3.3592 -3.3592 -3.1727 -3.1727 -3.1388 -3.1388 -2.9761 -2.9761 -1.9772 -1.9772 -1.6708 -1.6708 0.2361 0.2361 0.3135 0.3135 0.6273 0.6273 0.8610 0.8610 5.3632 5.3632 5.3689 5.3689 6.0979 6.0979 6.3154 6.3154 6.8730 6.8730 k =-0.5000-0.4430 0.2414 ( 7386 PWs) bands (ev): -17.6064 -17.6064 -17.5022 -17.5022 -13.6235 -13.6235 -13.5621 -13.5621 -12.3341 -12.3341 -12.2025 -12.2025 -9.4193 -9.4193 -9.3018 -9.3018 -5.6640 -5.6640 -5.4530 -5.4530 -5.2529 -5.2529 -5.1782 -5.1782 -4.9207 -4.9207 -4.8210 -4.8210 -4.5361 -4.5361 -4.4865 -4.4865 -3.3061 -3.3061 -3.1769 -3.1769 -3.0292 -3.0292 -2.9611 -2.9611 -1.8878 -1.8878 -1.6255 -1.6255 0.2368 0.2368 0.2777 0.2777 0.7139 0.7139 0.8017 0.8017 5.2737 5.2737 5.3908 5.3908 5.4951 5.4951 6.3181 6.3181 6.9024 6.9024 k =-0.4889-0.4331 0.2360 ( 7381 PWs) bands (ev): -17.6065 -17.6065 -17.5023 -17.5023 -13.6235 -13.6235 -13.5617 -13.5617 -12.3341 -12.3341 -12.2024 -12.2024 -9.4193 -9.4193 -9.3018 -9.3018 -5.6634 -5.6634 -5.4531 -5.4531 -5.2532 -5.2532 -5.1783 -5.1783 -4.9208 -4.9208 -4.8211 -4.8211 -4.5393 -4.5393 -4.4839 -4.4839 -3.3062 -3.3062 -3.1769 -3.1769 -3.0290 -3.0290 -2.9610 -2.9610 -1.8883 -1.8883 -1.6259 -1.6259 0.2364 0.2364 0.2779 0.2779 0.7144 0.7144 0.8019 0.8019 5.2745 5.2745 5.3919 5.3919 5.4961 5.4961 6.3176 6.3176 6.8991 6.8991 k =-0.4778-0.4233 0.2306 ( 7382 PWs) bands (ev): -17.6068 -17.6068 -17.5024 -17.5024 -13.6235 -13.6235 -13.5605 -13.5605 -12.3342 -12.3342 -12.2021 -12.2021 -9.4195 -9.4195 -9.3016 -9.3016 -5.6618 -5.6618 -5.4533 -5.4533 -5.2540 -5.2540 -5.1786 -5.1786 -4.9209 -4.9209 -4.8216 -4.8216 -4.5474 -4.5474 -4.4776 -4.4776 -3.3068 -3.3068 -3.1770 -3.1770 -3.0285 -3.0285 -2.9607 -2.9607 -1.8897 -1.8897 -1.6270 -1.6270 0.2353 0.2353 0.2787 0.2787 0.7157 0.7157 0.8024 0.8024 5.2766 5.2766 5.3951 5.3951 5.4992 5.4992 6.3163 6.3163 6.8909 6.8909 k =-0.4667-0.4134 0.2253 ( 7379 PWs) bands (ev): -17.6074 -17.6074 -17.5027 -17.5027 -13.6234 -13.6234 -13.5584 -13.5584 -12.3343 -12.3343 -12.2017 -12.2017 -9.4199 -9.4199 -9.3013 -9.3013 -5.6591 -5.6591 -5.4538 -5.4538 -5.2553 -5.2553 -5.1792 -5.1792 -4.9213 -4.9213 -4.8225 -4.8225 -4.5583 -4.5583 -4.4697 -4.4697 -3.3077 -3.3077 -3.1771 -3.1771 -3.0277 -3.0277 -2.9601 -2.9601 -1.8921 -1.8921 -1.6288 -1.6288 0.2335 0.2335 0.2799 0.2799 0.7179 0.7179 0.8032 0.8032 5.2802 5.2802 5.4006 5.4006 5.5043 5.5043 6.3142 6.3142 6.8803 6.8803 k =-0.4556-0.4036 0.2199 ( 7378 PWs) bands (ev): -17.6081 -17.6081 -17.5030 -17.5030 -13.6233 -13.6233 -13.5557 -13.5557 -12.3344 -12.3344 -12.2012 -12.2012 -9.4204 -9.4204 -9.3009 -9.3009 -5.6554 -5.6554 -5.4544 -5.4544 -5.2572 -5.2572 -5.1801 -5.1801 -4.9219 -4.9219 -4.8237 -4.8237 -4.5705 -4.5705 -4.4616 -4.4616 -3.3089 -3.3089 -3.1773 -3.1773 -3.0266 -3.0266 -2.9593 -2.9593 -1.8953 -1.8953 -1.6313 -1.6313 0.2313 0.2313 0.2814 0.2814 0.7210 0.7210 0.8043 0.8043 5.2852 5.2852 5.4082 5.4082 5.5115 5.5115 6.3115 6.3115 6.8687 6.8687 k =-0.4444-0.3937 0.2146 ( 7374 PWs) bands (ev): -17.6091 -17.6091 -17.5034 -17.5034 -13.6230 -13.6230 -13.5523 -13.5523 -12.3344 -12.3344 -12.2006 -12.2006 -9.4210 -9.4210 -9.3004 -9.3004 -5.6507 -5.6507 -5.4551 -5.4551 -5.2596 -5.2596 -5.1812 -5.1812 -4.9228 -4.9228 -4.8251 -4.8251 -4.5834 -4.5834 -4.4537 -4.4537 -3.3103 -3.3103 -3.1776 -3.1776 -3.0253 -3.0253 -2.9582 -2.9582 -1.8994 -1.8994 -1.6345 -1.6345 0.2286 0.2286 0.2831 0.2831 0.7248 0.7248 0.8057 0.8057 5.2915 5.2915 5.4179 5.4179 5.5207 5.5207 6.3087 6.3087 6.8571 6.8571 k =-0.4333-0.3839 0.2092 ( 7376 PWs) bands (ev): -17.6102 -17.6102 -17.5039 -17.5039 -13.6225 -13.6225 -13.5484 -13.5484 -12.3343 -12.3343 -12.1999 -12.1999 -9.4219 -9.4219 -9.2998 -9.2998 -5.6450 -5.6450 -5.4561 -5.4561 -5.2626 -5.2626 -5.1824 -5.1824 -4.9242 -4.9242 -4.8269 -4.8269 -4.5965 -4.5965 -4.4463 -4.4463 -3.3119 -3.3119 -3.1781 -3.1781 -3.0236 -3.0236 -2.9568 -2.9568 -1.9044 -1.9044 -1.6384 -1.6384 0.2256 0.2256 0.2849 0.2849 0.7294 0.7294 0.8075 0.8075 5.2991 5.2991 5.4296 5.4296 5.5319 5.5319 6.3059 6.3059 6.8456 6.8456 k =-0.4222-0.3741 0.2038 ( 7369 PWs) bands (ev): -17.6116 -17.6116 -17.5045 -17.5045 -13.6217 -13.6217 -13.5439 -13.5439 -12.3341 -12.3341 -12.1992 -12.1992 -9.4229 -9.4229 -9.2989 -9.2989 -5.6384 -5.6384 -5.4572 -5.4572 -5.2662 -5.2662 -5.1839 -5.1839 -4.9262 -4.9262 -4.8288 -4.8288 -4.6095 -4.6095 -4.4396 -4.4396 -3.3136 -3.3136 -3.1788 -3.1788 -3.0218 -3.0218 -2.9551 -2.9551 -1.9100 -1.9100 -1.6429 -1.6429 0.2223 0.2223 0.2867 0.2867 0.7347 0.7347 0.8094 0.8094 5.3080 5.3080 5.4433 5.4433 5.5452 5.5452 6.3035 6.3035 6.8343 6.8343 k =-0.4111-0.3642 0.1985 ( 7377 PWs) bands (ev): -17.6131 -17.6131 -17.5052 -17.5052 -13.6206 -13.6206 -13.5391 -13.5391 -12.3337 -12.3337 -12.1986 -12.1986 -9.4240 -9.4240 -9.2980 -9.2980 -5.6310 -5.6310 -5.4586 -5.4586 -5.2703 -5.2703 -5.1855 -5.1855 -4.9290 -4.9290 -4.8310 -4.8310 -4.6220 -4.6220 -4.4337 -4.4337 -3.3153 -3.3153 -3.1798 -3.1798 -3.0198 -3.0198 -2.9531 -2.9531 -1.9164 -1.9164 -1.6481 -1.6481 0.2189 0.2189 0.2884 0.2884 0.7405 0.7405 0.8117 0.8117 5.3179 5.3179 5.4588 5.4588 5.5605 5.5605 6.3018 6.3018 6.8233 6.8233 k =-0.4000-0.3544 0.1931 ( 7378 PWs) bands (ev): -17.6148 -17.6148 -17.5060 -17.5060 -13.6191 -13.6191 -13.5340 -13.5340 -12.3330 -12.3330 -12.1980 -12.1980 -9.4254 -9.4254 -9.2969 -9.2969 -5.6228 -5.6228 -5.4602 -5.4602 -5.2752 -5.2752 -5.1872 -5.1872 -4.9328 -4.9328 -4.8332 -4.8332 -4.6337 -4.6337 -4.4286 -4.4286 -3.3169 -3.3169 -3.1810 -3.1810 -3.0176 -3.0176 -2.9507 -2.9507 -1.9234 -1.9234 -1.6539 -1.6539 0.2153 0.2153 0.2901 0.2901 0.7468 0.7468 0.8142 0.8142 5.3289 5.3289 5.4761 5.4761 5.5779 5.5779 6.3012 6.3012 6.8125 6.8125 k =-0.3889-0.3445 0.1877 ( 7382 PWs) bands (ev): -17.6168 -17.6168 -17.5068 -17.5068 -13.6173 -13.6173 -13.5285 -13.5285 -12.3321 -12.3321 -12.1976 -12.1976 -9.4269 -9.4269 -9.2956 -9.2956 -5.6140 -5.6140 -5.4619 -5.4619 -5.2807 -5.2807 -5.1889 -5.1889 -4.9379 -4.9379 -4.8356 -4.8356 -4.6443 -4.6443 -4.4243 -4.4243 -3.3184 -3.3184 -3.1824 -3.1824 -3.0155 -3.0155 -2.9480 -2.9480 -1.9308 -1.9308 -1.6603 -1.6603 0.2116 0.2116 0.2915 0.2915 0.7535 0.7535 0.8170 0.8170 5.3407 5.3407 5.4949 5.4949 5.5975 5.5975 6.3019 6.3019 6.8019 6.8019 k =-0.3778-0.3347 0.1824 ( 7382 PWs) bands (ev): -17.6189 -17.6189 -17.5076 -17.5076 -13.6151 -13.6151 -13.5229 -13.5229 -12.3308 -12.3308 -12.1974 -12.1974 -9.4286 -9.4286 -9.2942 -9.2942 -5.6046 -5.6046 -5.4639 -5.4639 -5.2871 -5.2871 -5.1904 -5.1904 -4.9444 -4.9444 -4.8380 -4.8380 -4.6535 -4.6535 -4.4209 -4.4209 -3.3196 -3.3196 -3.1840 -3.1840 -3.0134 -3.0134 -2.9449 -2.9449 -1.9387 -1.9387 -1.6672 -1.6672 0.2078 0.2078 0.2929 0.2929 0.7603 0.7603 0.8201 0.8201 5.3533 5.3533 5.5152 5.5152 5.6192 5.6192 6.3042 6.3042 6.7916 6.7916 k =-0.3667-0.3248 0.1770 ( 7380 PWs) bands (ev): -17.6211 -17.6211 -17.5085 -17.5085 -13.6125 -13.6125 -13.5171 -13.5171 -12.3291 -12.3291 -12.1974 -12.1974 -9.4304 -9.4304 -9.2926 -9.2926 -5.5950 -5.5950 -5.4660 -5.4660 -5.2942 -5.2942 -5.1919 -5.1919 -4.9525 -4.9525 -4.8404 -4.8404 -4.6610 -4.6610 -4.4183 -4.4183 -3.3206 -3.3206 -3.1859 -3.1859 -3.0113 -3.0113 -2.9416 -2.9416 -1.9470 -1.9470 -1.6746 -1.6746 0.2040 0.2040 0.2940 0.2940 0.7672 0.7672 0.8235 0.8235 5.3664 5.3664 5.5367 5.5367 5.6432 5.6432 6.3082 6.3082 6.7815 6.7815 k =-0.3556-0.3150 0.1716 ( 7381 PWs) bands (ev): -17.6236 -17.6236 -17.5095 -17.5095 -13.6095 -13.6095 -13.5111 -13.5111 -12.3271 -12.3271 -12.1977 -12.1977 -9.4323 -9.4323 -9.2909 -9.2909 -5.5852 -5.5852 -5.4682 -5.4682 -5.3022 -5.3022 -5.1931 -5.1931 -4.9623 -4.9623 -4.8426 -4.8426 -4.6667 -4.6667 -4.4164 -4.4164 -3.3211 -3.3211 -3.1878 -3.1878 -3.0095 -3.0095 -2.9379 -2.9379 -1.9554 -1.9554 -1.6824 -1.6824 0.2001 0.2001 0.2950 0.2950 0.7740 0.7740 0.8273 0.8273 5.3801 5.3801 5.5593 5.5593 5.6695 5.6695 6.3140 6.3140 6.7718 6.7718 k =-0.3444-0.3051 0.1663 ( 7380 PWs) bands (ev): -17.6261 -17.6261 -17.5105 -17.5105 -13.6061 -13.6061 -13.5051 -13.5051 -12.3246 -12.3246 -12.1982 -12.1982 -9.4343 -9.4343 -9.2892 -9.2892 -5.5755 -5.5755 -5.4702 -5.4702 -5.3110 -5.3110 -5.1941 -5.1941 -4.9736 -4.9736 -4.8447 -4.8447 -4.6705 -4.6705 -4.4154 -4.4154 -3.3213 -3.3213 -3.1899 -3.1899 -3.0079 -3.0079 -2.9339 -2.9339 -1.9641 -1.9641 -1.6907 -1.6907 0.1962 0.1962 0.2957 0.2957 0.7804 0.7804 0.8316 0.8316 5.3940 5.3940 5.5828 5.5828 5.6982 5.6982 6.3216 6.3216 6.7627 6.7627 k =-0.3333-0.2953 0.1609 ( 7378 PWs) bands (ev): -17.6288 -17.6288 -17.5115 -17.5115 -13.6024 -13.6024 -13.4990 -13.4990 -12.3216 -12.3216 -12.1990 -12.1990 -9.4364 -9.4364 -9.2873 -9.2873 -5.5664 -5.5664 -5.4720 -5.4720 -5.3206 -5.3206 -5.1949 -5.1949 -4.9863 -4.9863 -4.8465 -4.8465 -4.6725 -4.6725 -4.4151 -4.4151 -3.3210 -3.3210 -3.1919 -3.1919 -3.0066 -3.0066 -2.9299 -2.9299 -1.9727 -1.9727 -1.6994 -1.6994 0.1923 0.1923 0.2963 0.2963 0.7862 0.7862 0.8364 0.8364 5.4080 5.4080 5.6071 5.6071 5.7293 5.7293 6.3309 6.3309 6.7544 6.7544 k =-0.3222-0.2855 0.1555 ( 7371 PWs) bands (ev): -17.6317 -17.6317 -17.5125 -17.5125 -13.5983 -13.5983 -13.4929 -13.4929 -12.3182 -12.3182 -12.2002 -12.2002 -9.4385 -9.4385 -9.2855 -9.2855 -5.5584 -5.5584 -5.4732 -5.4732 -5.3310 -5.3310 -5.1956 -5.1956 -5.0001 -5.0001 -4.8481 -4.8481 -4.6727 -4.6727 -4.4155 -4.4155 -3.3201 -3.3201 -3.1939 -3.1939 -3.0056 -3.0056 -2.9257 -2.9257 -1.9814 -1.9814 -1.7084 -1.7084 0.1884 0.1884 0.2966 0.2966 0.7912 0.7912 0.8419 0.8419 5.4221 5.4221 5.6322 5.6322 5.7625 5.7625 6.3416 6.3416 6.7470 6.7470 k =-0.3111-0.2756 0.1502 ( 7375 PWs) bands (ev): -17.6346 -17.6346 -17.5136 -17.5136 -13.5939 -13.5939 -13.4868 -13.4868 -12.3144 -12.3144 -12.2016 -12.2016 -9.4406 -9.4406 -9.2836 -9.2836 -5.5522 -5.5522 -5.4732 -5.4732 -5.3421 -5.3421 -5.1963 -5.1963 -5.0146 -5.0146 -4.8493 -4.8493 -4.6713 -4.6713 -4.4165 -4.4165 -3.3188 -3.3188 -3.1957 -3.1957 -3.0049 -3.0049 -2.9216 -2.9216 -1.9899 -1.9899 -1.7177 -1.7177 0.1845 0.1845 0.2968 0.2968 0.7954 0.7954 0.8481 0.8481 5.4362 5.4362 5.6580 5.6580 5.7978 5.7978 6.3534 6.3534 6.7412 6.7412 k =-0.3000-0.2658 0.1448 ( 7376 PWs) bands (ev): -17.6377 -17.6377 -17.5146 -17.5146 -13.5891 -13.5891 -13.4807 -13.4807 -12.3101 -12.3101 -12.2034 -12.2034 -9.4426 -9.4426 -9.2818 -9.2818 -5.5484 -5.5484 -5.4716 -5.4716 -5.3537 -5.3537 -5.1973 -5.1973 -5.0292 -5.0292 -4.8501 -4.8501 -4.6684 -4.6684 -4.4182 -4.4182 -3.3169 -3.3169 -3.1973 -3.1973 -3.0046 -3.0046 -2.9176 -2.9176 -1.9982 -1.9982 -1.7273 -1.7273 0.1805 0.1805 0.2968 0.2968 0.7986 0.7986 0.8547 0.8547 5.4501 5.4501 5.6846 5.6846 5.8350 5.8350 6.3658 6.3658 6.7372 6.7372 k =-0.2889-0.2559 0.1395 ( 7372 PWs) bands (ev): -17.6408 -17.6408 -17.5157 -17.5157 -13.5841 -13.5841 -13.4746 -13.4746 -12.3054 -12.3054 -12.2055 -12.2055 -9.4446 -9.4446 -9.2801 -9.2801 -5.5474 -5.5474 -5.4683 -5.4683 -5.3657 -5.3657 -5.1988 -5.1988 -5.0435 -5.0435 -4.8504 -4.8504 -4.6643 -4.6643 -4.4203 -4.4203 -3.3144 -3.3144 -3.1986 -3.1986 -3.0046 -3.0046 -2.9139 -2.9139 -2.0062 -2.0062 -1.7371 -1.7371 0.1766 0.1766 0.2967 0.2967 0.8009 0.8009 0.8619 0.8619 5.4638 5.4638 5.7121 5.7121 5.8737 5.8737 6.3781 6.3781 6.7356 6.7356 k =-0.2778-0.2461 0.1341 ( 7368 PWs) bands (ev): -17.6440 -17.6440 -17.5168 -17.5168 -13.5789 -13.5789 -13.4686 -13.4686 -12.3004 -12.3004 -12.2079 -12.2079 -9.4464 -9.4464 -9.2784 -9.2784 -5.5491 -5.5491 -5.4637 -5.4637 -5.3779 -5.3779 -5.2011 -5.2011 -5.0569 -5.0569 -4.8502 -4.8502 -4.6592 -4.6592 -4.4229 -4.4229 -3.3113 -3.3113 -3.1996 -3.1996 -3.0050 -3.0050 -2.9105 -2.9105 -2.0138 -2.0138 -1.7471 -1.7471 0.1728 0.1728 0.2965 0.2965 0.8024 0.8024 0.8694 0.8694 5.4773 5.4773 5.7404 5.7404 5.9135 5.9135 6.3895 6.3895 6.7371 6.7371 k =-0.2667-0.2362 0.1287 ( 7368 PWs) bands (ev): -17.6473 -17.6473 -17.5178 -17.5178 -13.5735 -13.5735 -13.4627 -13.4627 -12.2949 -12.2949 -12.2105 -12.2105 -9.4481 -9.4481 -9.2769 -9.2769 -5.5533 -5.5533 -5.4585 -5.4585 -5.3898 -5.3898 -5.2046 -5.2046 -5.0688 -5.0688 -4.8494 -4.8494 -4.6533 -4.6533 -4.4258 -4.4258 -3.3076 -3.3076 -3.2003 -3.2003 -3.0058 -3.0058 -2.9075 -2.9075 -2.0210 -2.0210 -1.7572 -1.7572 0.1689 0.1689 0.2961 0.2961 0.8030 0.8030 0.8771 0.8771 5.4906 5.4906 5.7698 5.7698 5.9541 5.9541 6.3993 6.3993 6.7422 6.7422 k =-0.2556-0.2264 0.1234 ( 7368 PWs) bands (ev): -17.6506 -17.6506 -17.5188 -17.5188 -13.5679 -13.5679 -13.4568 -13.4568 -12.2892 -12.2892 -12.2134 -12.2134 -9.4496 -9.4496 -9.2756 -9.2756 -5.5594 -5.5594 -5.4543 -5.4543 -5.4006 -5.4006 -5.2096 -5.2096 -5.0787 -5.0787 -4.8479 -4.8479 -4.6467 -4.6467 -4.4290 -4.4290 -3.3034 -3.3034 -3.2005 -3.2005 -3.0068 -3.0068 -2.9050 -2.9050 -2.0278 -2.0278 -1.7675 -1.7675 0.1651 0.1651 0.2957 0.2957 0.8029 0.8029 0.8849 0.8849 5.5038 5.5038 5.8001 5.8001 5.9950 5.9950 6.4068 6.4068 6.7512 6.7512 k =-0.2444-0.2166 0.1180 ( 7366 PWs) bands (ev): -17.6539 -17.6539 -17.5199 -17.5199 -13.5622 -13.5622 -13.4510 -13.4510 -12.2832 -12.2832 -12.2165 -12.2165 -9.4510 -9.4510 -9.2744 -9.2744 -5.5669 -5.5669 -5.4530 -5.4530 -5.4088 -5.4088 -5.2159 -5.2159 -5.0865 -5.0865 -4.8457 -4.8457 -4.6397 -4.6397 -4.4323 -4.4323 -3.2985 -3.2985 -3.2003 -3.2003 -3.0081 -3.0081 -2.9031 -2.9031 -2.0339 -2.0339 -1.7778 -1.7778 0.1612 0.1612 0.2951 0.2951 0.8021 0.8021 0.8927 0.8927 5.5170 5.5170 5.8314 5.8314 6.0358 6.0358 6.4116 6.4116 6.7641 6.7641 k =-0.2333-0.2067 0.1126 ( 7366 PWs) bands (ev): -17.6572 -17.6572 -17.5208 -17.5208 -13.5565 -13.5565 -13.4453 -13.4453 -12.2771 -12.2771 -12.2198 -12.2198 -9.4521 -9.4521 -9.2734 -9.2734 -5.5757 -5.5757 -5.4567 -5.4567 -5.4128 -5.4128 -5.2231 -5.2231 -5.0923 -5.0923 -4.8426 -4.8426 -4.6323 -4.6323 -4.4356 -4.4356 -3.2931 -3.2931 -3.1996 -3.1996 -3.0097 -3.0097 -2.9019 -2.9019 -2.0396 -2.0396 -1.7883 -1.7883 0.1575 0.1575 0.2945 0.2945 0.8006 0.8006 0.9005 0.9005 5.5301 5.5301 5.8637 5.8637 6.0760 6.0760 6.4138 6.4138 6.7806 6.7806 k =-0.2222-0.1969 0.1073 ( 7371 PWs) bands (ev): -17.6605 -17.6605 -17.5218 -17.5218 -13.5507 -13.5507 -13.4396 -13.4396 -12.2709 -12.2709 -12.2231 -12.2231 -9.4530 -9.4530 -9.2726 -9.2726 -5.5854 -5.5854 -5.4651 -5.4651 -5.4134 -5.4134 -5.2308 -5.2308 -5.0963 -5.0963 -4.8387 -4.8387 -4.6249 -4.6249 -4.4388 -4.4388 -3.2872 -3.2872 -3.1984 -3.1984 -3.0115 -3.0115 -2.9013 -2.9013 -2.0446 -2.0446 -1.7987 -1.7987 0.1537 0.1537 0.2939 0.2939 0.7985 0.7985 0.9081 0.9081 5.5432 5.5432 5.8969 5.8969 6.1150 6.1150 6.4133 6.4133 6.7998 6.7998 k =-0.2111-0.1870 0.1019 ( 7373 PWs) bands (ev): -17.6638 -17.6638 -17.5228 -17.5228 -13.5450 -13.5450 -13.4341 -13.4341 -12.2648 -12.2648 -12.2263 -12.2263 -9.4536 -9.4536 -9.2720 -9.2720 -5.5959 -5.5959 -5.4761 -5.4761 -5.4127 -5.4127 -5.2382 -5.2382 -5.0991 -5.0991 -4.8340 -4.8340 -4.6174 -4.6174 -4.4419 -4.4419 -3.2808 -3.2808 -3.1968 -3.1968 -3.0136 -3.0136 -2.9014 -2.9014 -2.0491 -2.0491 -1.8092 -1.8092 0.1500 0.1500 0.2932 0.2932 0.7958 0.7958 0.9155 0.9155 5.5564 5.5564 5.9310 5.9310 6.1524 6.1524 6.4108 6.4108 6.8205 6.8205 k =-0.2000-0.1772 0.0965 ( 7371 PWs) bands (ev): -17.6670 -17.6670 -17.5237 -17.5237 -13.5394 -13.5394 -13.4286 -13.4286 -12.2593 -12.2593 -12.2290 -12.2290 -9.4540 -9.4540 -9.2717 -9.2717 -5.6071 -5.6071 -5.4882 -5.4882 -5.4127 -5.4127 -5.2445 -5.2445 -5.1010 -5.1010 -4.8285 -4.8285 -4.6101 -4.6101 -4.4446 -4.4446 -3.2740 -3.2740 -3.1946 -3.1946 -3.0158 -3.0158 -2.9022 -2.9022 -2.0529 -2.0529 -1.8197 -1.8197 0.1464 0.1464 0.2925 0.2925 0.7926 0.7926 0.9228 0.9228 5.5697 5.5697 5.9658 5.9658 6.1877 6.1877 6.4067 6.4067 6.8409 6.8409 k =-0.1889-0.1673 0.0912 ( 7376 PWs) bands (ev): -17.6702 -17.6702 -17.5245 -17.5245 -13.5339 -13.5339 -13.4232 -13.4232 -12.2549 -12.2549 -12.2306 -12.2306 -9.4542 -9.4542 -9.2716 -9.2716 -5.6189 -5.6189 -5.5006 -5.5006 -5.4143 -5.4143 -5.2493 -5.2493 -5.1024 -5.1024 -4.8222 -4.8222 -4.6032 -4.6032 -4.4468 -4.4468 -3.2669 -3.2669 -3.1919 -3.1919 -3.0181 -3.0181 -2.9037 -2.9037 -2.0562 -2.0562 -1.8301 -1.8301 0.1428 0.1428 0.2918 0.2918 0.7888 0.7888 0.9299 0.9299 5.5831 5.5831 6.0011 6.0011 6.2205 6.2205 6.4014 6.4014 6.8589 6.8589 k =-0.1778-0.1575 0.0858 ( 7374 PWs) bands (ev): -17.6733 -17.6733 -17.5254 -17.5254 -13.5286 -13.5286 -13.4178 -13.4178 -12.2528 -12.2528 -12.2301 -12.2301 -9.4541 -9.4541 -9.2717 -9.2717 -5.6310 -5.6310 -5.5128 -5.5128 -5.4177 -5.4177 -5.2522 -5.2522 -5.1036 -5.1036 -4.8153 -4.8153 -4.5967 -4.5967 -4.4485 -4.4485 -3.2594 -3.2594 -3.1887 -3.1887 -3.0205 -3.0205 -2.9058 -2.9058 -2.0589 -2.0589 -1.8405 -1.8405 0.1393 0.1393 0.2911 0.2911 0.7845 0.7845 0.9367 0.9367 5.5966 5.5966 6.0369 6.0369 6.2503 6.2503 6.3956 6.3956 6.8720 6.8720 k =-0.1667-0.1477 0.0805 ( 7382 PWs) bands (ev): -17.6763 -17.6763 -17.5262 -17.5262 -13.5234 -13.5234 -13.4126 -13.4126 -12.2534 -12.2534 -12.2269 -12.2269 -9.4538 -9.4538 -9.2720 -9.2720 -5.6434 -5.6434 -5.5246 -5.5246 -5.4230 -5.4230 -5.2535 -5.2535 -5.1046 -5.1046 -4.8078 -4.8078 -4.5908 -4.5908 -4.4496 -4.4496 -3.2519 -3.2519 -3.1849 -3.1849 -3.0230 -3.0230 -2.9086 -2.9086 -2.0611 -2.0611 -1.8507 -1.8507 0.1359 0.1359 0.2904 0.2904 0.7799 0.7799 0.9432 0.9432 5.6102 5.6102 6.0727 6.0727 6.2770 6.2770 6.3895 6.3895 6.8783 6.8783 k =-0.1556-0.1378 0.0751 ( 7382 PWs) bands (ev): -17.6791 -17.6791 -17.5269 -17.5269 -13.5186 -13.5186 -13.4075 -13.4075 -12.2557 -12.2557 -12.2221 -12.2221 -9.4533 -9.4533 -9.2724 -9.2724 -5.6560 -5.6560 -5.5358 -5.5358 -5.4298 -5.4298 -5.2532 -5.2532 -5.1056 -5.1056 -4.8000 -4.8000 -4.5856 -4.5856 -4.4499 -4.4499 -3.2443 -3.2443 -3.1806 -3.1806 -3.0255 -3.0255 -2.9119 -2.9119 -2.0627 -2.0627 -1.8608 -1.8608 0.1327 0.1327 0.2897 0.2897 0.7750 0.7750 0.9495 0.9495 5.6237 5.6237 6.1082 6.1082 6.3004 6.3004 6.3837 6.3837 6.8776 6.8776 k =-0.1444-0.1280 0.0697 ( 7384 PWs) bands (ev): -17.6819 -17.6819 -17.5276 -17.5276 -13.5140 -13.5140 -13.4026 -13.4026 -12.2589 -12.2589 -12.2166 -12.2166 -9.4526 -9.4526 -9.2731 -9.2731 -5.6686 -5.6686 -5.5463 -5.5463 -5.4379 -5.4379 -5.2517 -5.2517 -5.1065 -5.1065 -4.7919 -4.7919 -4.5812 -4.5812 -4.4495 -4.4495 -3.2368 -3.2368 -3.1756 -3.1756 -3.0280 -3.0280 -2.9158 -2.9158 -2.0639 -2.0639 -1.8707 -1.8707 0.1295 0.1295 0.2890 0.2890 0.7698 0.7698 0.9554 0.9554 5.6371 5.6371 6.1429 6.1429 6.3207 6.3207 6.3787 6.3787 6.8716 6.8716 k =-0.1333-0.1181 0.0644 ( 7385 PWs) bands (ev): -17.6845 -17.6845 -17.5283 -17.5283 -13.5097 -13.5097 -13.3978 -13.3978 -12.2624 -12.2624 -12.2108 -12.2108 -9.4518 -9.4518 -9.2739 -9.2739 -5.6810 -5.6810 -5.5560 -5.5560 -5.4467 -5.4467 -5.2496 -5.2496 -5.1074 -5.1074 -4.7837 -4.7837 -4.5776 -4.5776 -4.4483 -4.4483 -3.2296 -3.2296 -3.1701 -3.1701 -3.0305 -3.0305 -2.9201 -2.9201 -2.0646 -2.0646 -1.8804 -1.8804 0.1265 0.1265 0.2884 0.2884 0.7644 0.7644 0.9611 0.9611 5.6504 5.6504 6.1761 6.1761 6.3379 6.3379 6.3750 6.3750 6.8623 6.8623 k =-0.1222-0.1083 0.0590 ( 7393 PWs) bands (ev): -17.6869 -17.6869 -17.5289 -17.5289 -13.5057 -13.5057 -13.3933 -13.3933 -12.2660 -12.2660 -12.2052 -12.2052 -9.4508 -9.4508 -9.2748 -9.2748 -5.6931 -5.6931 -5.5647 -5.5647 -5.4560 -5.4560 -5.2469 -5.2469 -5.1082 -5.1082 -4.7757 -4.7757 -4.5749 -4.5749 -4.4464 -4.4464 -3.2227 -3.2227 -3.1640 -3.1640 -3.0329 -3.0329 -2.9248 -2.9248 -2.0649 -2.0649 -1.8898 -1.8898 0.1236 0.1236 0.2878 0.2878 0.7590 0.7590 0.9664 0.9664 5.6632 5.6632 6.2068 6.2068 6.3510 6.3510 6.3748 6.3748 6.8517 6.8517 k =-0.1111-0.0984 0.0536 ( 7393 PWs) bands (ev): -17.6892 -17.6892 -17.5295 -17.5295 -13.5020 -13.5020 -13.3889 -13.3889 -12.2696 -12.2696 -12.1997 -12.1997 -9.4497 -9.4497 -9.2758 -9.2758 -5.7048 -5.7048 -5.5726 -5.5726 -5.4654 -5.4654 -5.2442 -5.2442 -5.1090 -5.1090 -4.7678 -4.7678 -4.5729 -4.5729 -4.4440 -4.4440 -3.2164 -3.2164 -3.1573 -3.1573 -3.0351 -3.0351 -2.9298 -2.9298 -2.0649 -2.0649 -1.8988 -1.8988 0.1210 0.1210 0.2872 0.2872 0.7537 0.7537 0.9713 0.9713 5.6756 5.6756 6.2339 6.2339 6.3567 6.3567 6.3822 6.3822 6.8409 6.8409 k =-0.1000-0.0886 0.0483 ( 7397 PWs) bands (ev): -17.6913 -17.6913 -17.5300 -17.5300 -13.4987 -13.4987 -13.3849 -13.3849 -12.2730 -12.2730 -12.1946 -12.1946 -9.4486 -9.4486 -9.2769 -9.2769 -5.7158 -5.7158 -5.5794 -5.5794 -5.4747 -5.4747 -5.2415 -5.2415 -5.1095 -5.1095 -4.7602 -4.7602 -4.5716 -4.5716 -4.4411 -4.4411 -3.2107 -3.2107 -3.1501 -3.1501 -3.0373 -3.0373 -2.9350 -2.9350 -2.0646 -2.0646 -1.9075 -1.9075 0.1185 0.1185 0.2867 0.2867 0.7484 0.7484 0.9758 0.9758 5.6874 5.6874 6.2566 6.2566 6.3570 6.3570 6.3964 6.3964 6.8308 6.8308 k =-0.0889-0.0787 0.0429 ( 7400 PWs) bands (ev): -17.6932 -17.6932 -17.5305 -17.5305 -13.4957 -13.4957 -13.3811 -13.3811 -12.2762 -12.2762 -12.1899 -12.1899 -9.4474 -9.4474 -9.2780 -9.2780 -5.7261 -5.7261 -5.5853 -5.5853 -5.4837 -5.4837 -5.2390 -5.2390 -5.1100 -5.1100 -4.7531 -4.7531 -4.5709 -4.5709 -4.4380 -4.4380 -3.2055 -3.2055 -3.1427 -3.1427 -3.0394 -3.0394 -2.9403 -2.9403 -2.0640 -2.0640 -1.9156 -1.9156 0.1163 0.1163 0.2862 0.2862 0.7434 0.7434 0.9800 0.9800 5.6984 5.6984 6.2744 6.2744 6.3559 6.3559 6.4134 6.4134 6.8223 6.8223 k =-0.0778-0.0689 0.0375 ( 7400 PWs) bands (ev): -17.6949 -17.6949 -17.5309 -17.5309 -13.4930 -13.4930 -13.3776 -13.3776 -12.2792 -12.2792 -12.1855 -12.1855 -9.4463 -9.4463 -9.2791 -9.2791 -5.7355 -5.7355 -5.5903 -5.5903 -5.4921 -5.4921 -5.2367 -5.2367 -5.1102 -5.1102 -4.7465 -4.7465 -4.5706 -4.5706 -4.4348 -4.4348 -3.2010 -3.2010 -3.1351 -3.1351 -3.0413 -3.0413 -2.9457 -2.9457 -2.0633 -2.0633 -1.9231 -1.9231 0.1142 0.1142 0.2857 0.2857 0.7387 0.7387 0.9837 0.9837 5.7084 5.7084 6.2879 6.2879 6.3544 6.3544 6.4315 6.4315 6.8158 6.8158 k =-0.0667-0.0591 0.0322 ( 7400 PWs) bands (ev): -17.6964 -17.6964 -17.5312 -17.5312 -13.4908 -13.4908 -13.3746 -13.3746 -12.2818 -12.2818 -12.1817 -12.1817 -9.4452 -9.4452 -9.2801 -9.2801 -5.7439 -5.7439 -5.5944 -5.5944 -5.5000 -5.5000 -5.2348 -5.2348 -5.1103 -5.1103 -4.7406 -4.7406 -4.5707 -4.5707 -4.4316 -4.4316 -3.1971 -3.1971 -3.1276 -3.1276 -3.0431 -3.0431 -2.9508 -2.9508 -2.0624 -2.0624 -1.9300 -1.9300 0.1124 0.1124 0.2853 0.2853 0.7345 0.7345 0.9869 0.9869 5.7174 5.7174 6.2980 6.2980 6.3527 6.3527 6.4492 6.4492 6.8119 6.8119 k =-0.0556-0.0492 0.0268 ( 7400 PWs) bands (ev): -17.6977 -17.6977 -17.5315 -17.5315 -13.4888 -13.4888 -13.3719 -13.3719 -12.2841 -12.2841 -12.1784 -12.1784 -9.4442 -9.4442 -9.2810 -9.2810 -5.7512 -5.7512 -5.5976 -5.5976 -5.5069 -5.5069 -5.2333 -5.2333 -5.1103 -5.1103 -4.7354 -4.7354 -4.5710 -4.5710 -4.4286 -4.4286 -3.1939 -3.1939 -3.1205 -3.1205 -3.0448 -3.0448 -2.9557 -2.9557 -2.0615 -2.0615 -1.9361 -1.9361 0.1109 0.1109 0.2850 0.2850 0.7307 0.7307 0.9897 0.9897 5.7253 5.7253 6.3059 6.3059 6.3507 6.3507 6.4650 6.4650 6.8107 6.8107 k =-0.0444-0.0394 0.0215 ( 7406 PWs) bands (ev): -17.6987 -17.6987 -17.5318 -17.5318 -13.4873 -13.4873 -13.3697 -13.3697 -12.2860 -12.2860 -12.1756 -12.1756 -9.4433 -9.4433 -9.2818 -9.2818 -5.7573 -5.7573 -5.6001 -5.6001 -5.5129 -5.5129 -5.2321 -5.2321 -5.1102 -5.1102 -4.7310 -4.7310 -4.5714 -4.5714 -4.4260 -4.4260 -3.1912 -3.1912 -3.1140 -3.1140 -3.0463 -3.0463 -2.9601 -2.9601 -2.0606 -2.0606 -1.9413 -1.9413 0.1097 0.1097 0.2847 0.2847 0.7275 0.7275 0.9920 0.9920 5.7318 5.7318 6.3123 6.3123 6.3484 6.3484 6.4778 6.4778 6.8120 6.8120 k =-0.0333-0.0295 0.0161 ( 7406 PWs) bands (ev): -17.6995 -17.6995 -17.5320 -17.5320 -13.4860 -13.4860 -13.3680 -13.3680 -12.2875 -12.2875 -12.1735 -12.1735 -9.4425 -9.4425 -9.2825 -9.2825 -5.7621 -5.7621 -5.6019 -5.6019 -5.5178 -5.5178 -5.2311 -5.2311 -5.1101 -5.1101 -4.7276 -4.7276 -4.5719 -4.5719 -4.4239 -4.4239 -3.1892 -3.1892 -3.1084 -3.1084 -3.0476 -3.0476 -2.9638 -2.9638 -2.0598 -2.0598 -1.9454 -1.9454 0.1087 0.1087 0.2844 0.2844 0.7250 0.7250 0.9938 0.9938 5.7370 5.7370 6.3178 6.3178 6.3459 6.3459 6.4874 6.4874 6.8150 6.8150 k =-0.0222-0.0197 0.0107 ( 7412 PWs) bands (ev): -17.7001 -17.7001 -17.5321 -17.5321 -13.4852 -13.4852 -13.3667 -13.3667 -12.2886 -12.2886 -12.1719 -12.1719 -9.4420 -9.4420 -9.2830 -9.2830 -5.7655 -5.7655 -5.6031 -5.6031 -5.5214 -5.5214 -5.2305 -5.2305 -5.1099 -5.1099 -4.7250 -4.7250 -4.5722 -4.5722 -4.4223 -4.4223 -3.1877 -3.1877 -3.1040 -3.1040 -3.0487 -3.0487 -2.9667 -2.9667 -2.0591 -2.0591 -1.9485 -1.9485 0.1080 0.1080 0.2843 0.2843 0.7231 0.7231 0.9951 0.9951 5.7407 5.7407 6.3223 6.3223 6.3434 6.3434 6.4938 6.4938 6.8186 6.8186 k =-0.0111-0.0098 0.0054 ( 7408 PWs) bands (ev): -17.7005 -17.7005 -17.5322 -17.5322 -13.4847 -13.4847 -13.3659 -13.3659 -12.2893 -12.2893 -12.1710 -12.1710 -9.4417 -9.4417 -9.2833 -9.2833 -5.7676 -5.7676 -5.6038 -5.6038 -5.5236 -5.5236 -5.2302 -5.2302 -5.1098 -5.1098 -4.7235 -4.7235 -4.5725 -4.5725 -4.4213 -4.4213 -3.1868 -3.1868 -3.1012 -3.1012 -3.0494 -3.0494 -2.9684 -2.9684 -2.0587 -2.0587 -1.9504 -1.9504 0.1075 0.1075 0.2842 0.2842 0.7220 0.7220 0.9959 0.9959 5.7429 5.7429 6.3257 6.3257 6.3412 6.3412 6.4974 6.4974 6.8215 6.8215 k = 0.0000 0.0000 0.0000 ( 7403 PWs) bands (ev): -17.7006 -17.7006 -17.5322 -17.5322 -13.4845 -13.4845 -13.3657 -13.3657 -12.2895 -12.2895 -12.1707 -12.1707 -9.4416 -9.4416 -9.2834 -9.2834 -5.7683 -5.7683 -5.6040 -5.6040 -5.5243 -5.5243 -5.2300 -5.2300 -5.1098 -5.1098 -4.7230 -4.7230 -4.5726 -4.5726 -4.4210 -4.4210 -3.1865 -3.1865 -3.1002 -3.1002 -3.0496 -3.0496 -2.9691 -2.9691 -2.0585 -2.0585 -1.9510 -1.9510 0.1074 0.1074 0.2841 0.2841 0.7216 0.7216 0.9962 0.9962 5.7437 5.7437 6.3271 6.3271 6.3403 6.3403 6.4985 6.4985 6.8225 6.8225 k = 0.0000 0.0000 0.0000 ( 7403 PWs) bands (ev): -17.7006 -17.7006 -17.5322 -17.5322 -13.4845 -13.4845 -13.3657 -13.3657 -12.2895 -12.2895 -12.1707 -12.1707 -9.4416 -9.4416 -9.2834 -9.2834 -5.7683 -5.7683 -5.6040 -5.6040 -5.5243 -5.5243 -5.2300 -5.2300 -5.1098 -5.1098 -4.7230 -4.7230 -4.5726 -4.5726 -4.4210 -4.4210 -3.1865 -3.1865 -3.1002 -3.1002 -3.0496 -3.0496 -2.9691 -2.9691 -2.0585 -2.0585 -1.9510 -1.9510 0.1074 0.1074 0.2841 0.2841 0.7216 0.7216 0.9962 0.9962 5.7437 5.7437 6.3271 6.3271 6.3403 6.3403 6.4985 6.4985 6.8225 6.8225 k = 0.0000 0.0000 0.0157 ( 7407 PWs) bands (ev): -17.7005 -17.7005 -17.5324 -17.5324 -13.4844 -13.4844 -13.3656 -13.3656 -12.2897 -12.2897 -12.1709 -12.1709 -9.4415 -9.4415 -9.2831 -9.2831 -5.7677 -5.7677 -5.6034 -5.6034 -5.5240 -5.5240 -5.2310 -5.2310 -5.1094 -5.1094 -4.7235 -4.7235 -4.5722 -4.5722 -4.4211 -4.4211 -3.1867 -3.1867 -3.1024 -3.1024 -3.0492 -3.0492 -2.9684 -2.9684 -2.0593 -2.0593 -1.9505 -1.9505 0.1073 0.1073 0.2838 0.2838 0.7219 0.7219 0.9962 0.9962 5.7437 5.7437 6.3134 6.3134 6.3523 6.3523 6.4940 6.4940 6.8312 6.8312 k = 0.0000 0.0000 0.0315 ( 7406 PWs) bands (ev): -17.7001 -17.7001 -17.5328 -17.5328 -13.4840 -13.4840 -13.3655 -13.3655 -12.2901 -12.2901 -12.1717 -12.1717 -9.4414 -9.4414 -9.2823 -9.2823 -5.7657 -5.7657 -5.6015 -5.6015 -5.5230 -5.5230 -5.2339 -5.2339 -5.1082 -5.1082 -4.7252 -4.7252 -4.5710 -4.5710 -4.4216 -4.4216 -3.1875 -3.1875 -3.1083 -3.1083 -3.0483 -3.0483 -2.9665 -2.9665 -2.0614 -2.0614 -1.9491 -1.9491 0.1072 0.1072 0.2828 0.2828 0.7230 0.7230 0.9962 0.9962 5.7437 5.7437 6.2933 6.2933 6.3674 6.3674 6.4821 6.4821 6.8555 6.8555 k = 0.0000 0.0000 0.0472 ( 7402 PWs) bands (ev): -17.6995 -17.6995 -17.5334 -17.5334 -13.4835 -13.4835 -13.3652 -13.3652 -12.2908 -12.2908 -12.1729 -12.1729 -9.4411 -9.4411 -9.2809 -9.2809 -5.7624 -5.7624 -5.5984 -5.5984 -5.5213 -5.5213 -5.2384 -5.2384 -5.1064 -5.1064 -4.7278 -4.7278 -4.5690 -4.5690 -4.4224 -4.4224 -3.1892 -3.1892 -3.1168 -3.1168 -3.0472 -3.0472 -2.9638 -2.9638 -2.0650 -2.0650 -1.9468 -1.9468 0.1070 0.1070 0.2812 0.2812 0.7246 0.7246 0.9963 0.9963 5.7437 5.7437 6.2711 6.2711 6.3805 6.3805 6.4672 6.4672 6.8919 6.8919 k = 0.0000 0.0000 0.0629 ( 7402 PWs) bands (ev): -17.6986 -17.6986 -17.5344 -17.5344 -13.4828 -13.4828 -13.3649 -13.3649 -12.2918 -12.2918 -12.1747 -12.1747 -9.4408 -9.4408 -9.2790 -9.2790 -5.7579 -5.7579 -5.5941 -5.5941 -5.5190 -5.5190 -5.2445 -5.2445 -5.1042 -5.1042 -4.7314 -4.7314 -4.5665 -4.5665 -4.4235 -4.4235 -3.1926 -3.1926 -3.1263 -3.1263 -3.0464 -3.0464 -2.9605 -2.9605 -2.0697 -2.0697 -1.9438 -1.9438 0.1067 0.1067 0.2790 0.2790 0.7268 0.7268 0.9965 0.9965 5.7435 5.7435 6.2473 6.2473 6.3895 6.3895 6.4547 6.4547 6.9366 6.9366 k = 0.0000 0.0000 0.0787 ( 7398 PWs) bands (ev): -17.6974 -17.6974 -17.5355 -17.5355 -13.4818 -13.4818 -13.3645 -13.3645 -12.2930 -12.2930 -12.1769 -12.1769 -9.4404 -9.4404 -9.2766 -9.2766 -5.7521 -5.7521 -5.5886 -5.5886 -5.5161 -5.5161 -5.2519 -5.2519 -5.1019 -5.1019 -4.7358 -4.7358 -4.5633 -4.5633 -4.4249 -4.4249 -3.1987 -3.1987 -3.1352 -3.1352 -3.0459 -3.0459 -2.9571 -2.9571 -2.0754 -2.0754 -1.9401 -1.9401 0.1064 0.1064 0.2762 0.2762 0.7296 0.7296 0.9966 0.9966 5.7429 5.7429 6.2220 6.2220 6.3906 6.3906 6.4506 6.4506 6.9870 6.9870 k = 0.0000 0.0000 0.0944 ( 7403 PWs) bands (ev): -17.6961 -17.6961 -17.5369 -17.5369 -13.4807 -13.4807 -13.3640 -13.3640 -12.2944 -12.2944 -12.1795 -12.1795 -9.4399 -9.4399 -9.2738 -9.2738 -5.7451 -5.7451 -5.5821 -5.5821 -5.5126 -5.5126 -5.2604 -5.2604 -5.0996 -5.0996 -4.7408 -4.7408 -4.5598 -4.5598 -4.4266 -4.4266 -3.2086 -3.2086 -3.1418 -3.1418 -3.0457 -3.0457 -2.9539 -2.9539 -2.0821 -2.0821 -1.9358 -1.9358 0.1060 0.1060 0.2728 0.2728 0.7328 0.7328 0.9968 0.9968 5.7420 5.7420 6.1957 6.1957 6.3839 6.3839 6.4565 6.4565 7.0407 7.0407 k = 0.0000 0.0000 0.1101 ( 7398 PWs) bands (ev): -17.6945 -17.6945 -17.5386 -17.5386 -13.4794 -13.4794 -13.3634 -13.3634 -12.2960 -12.2960 -12.1825 -12.1825 -9.4393 -9.4393 -9.2706 -9.2706 -5.7369 -5.7369 -5.5745 -5.5745 -5.5085 -5.5085 -5.2697 -5.2697 -5.0976 -5.0976 -4.7463 -4.7463 -4.5559 -4.5559 -4.4285 -4.4285 -3.2226 -3.2226 -3.1457 -3.1457 -3.0459 -3.0459 -2.9510 -2.9510 -2.0895 -2.0895 -1.9312 -1.9312 0.1056 0.1056 0.2691 0.2691 0.7364 0.7364 0.9971 0.9971 5.7406 5.7406 6.1685 6.1685 6.3743 6.3743 6.4682 6.4682 7.0943 7.0943 k = 0.0000 0.0000 0.1259 ( 7398 PWs) bands (ev): -17.6927 -17.6927 -17.5404 -17.5404 -13.4780 -13.4780 -13.3628 -13.3628 -12.2977 -12.2977 -12.1860 -12.1860 -9.4386 -9.4386 -9.2671 -9.2671 -5.7277 -5.7277 -5.5660 -5.5660 -5.5038 -5.5038 -5.2798 -5.2798 -5.0959 -5.0959 -4.7522 -4.7522 -4.5518 -4.5518 -4.4307 -4.4307 -3.2398 -3.2398 -3.1471 -3.1471 -3.0464 -3.0464 -2.9486 -2.9486 -2.0975 -2.0975 -1.9262 -1.9262 0.1052 0.1052 0.2649 0.2649 0.7402 0.7402 0.9974 0.9974 5.7386 5.7386 6.1408 6.1408 6.3653 6.3653 6.4829 6.4829 7.1323 7.1323 k = 0.0000 0.0000 0.1416 ( 7394 PWs) bands (ev): -17.6907 -17.6907 -17.5425 -17.5425 -13.4764 -13.4764 -13.3622 -13.3622 -12.2994 -12.2994 -12.1897 -12.1897 -9.4379 -9.4379 -9.2634 -9.2634 -5.7174 -5.7174 -5.5567 -5.5567 -5.4986 -5.4986 -5.2905 -5.2905 -5.0947 -5.0947 -4.7583 -4.7583 -4.5475 -4.5475 -4.4332 -4.4332 -3.2594 -3.2594 -3.1468 -3.1468 -3.0472 -3.0472 -2.9467 -2.9467 -2.1060 -2.1060 -1.9209 -1.9209 0.1048 0.1048 0.2605 0.2605 0.7443 0.7443 0.9978 0.9978 5.7361 5.7361 6.1129 6.1129 6.3582 6.3582 6.4994 6.4994 7.1377 7.1377 k = 0.0000 0.0000 0.1574 ( 7392 PWs) bands (ev): -17.6886 -17.6886 -17.5447 -17.5447 -13.4747 -13.4747 -13.3616 -13.3616 -12.3012 -12.3012 -12.1937 -12.1937 -9.4371 -9.4371 -9.2594 -9.2594 -5.7063 -5.7063 -5.5467 -5.5467 -5.4929 -5.4929 -5.3017 -5.3017 -5.0941 -5.0941 -4.7646 -4.7646 -4.5432 -4.5432 -4.4359 -4.4359 -3.2804 -3.2804 -3.1455 -3.1455 -3.0483 -3.0483 -2.9453 -2.9453 -2.1147 -2.1147 -1.9155 -1.9155 0.1045 0.1045 0.2558 0.2558 0.7484 0.7484 0.9981 0.9981 5.7332 5.7332 6.0849 6.0849 6.3534 6.3534 6.5173 6.5173 7.1333 7.1333 k = 0.0000 0.0000 0.1731 ( 7392 PWs) bands (ev): -17.6863 -17.6863 -17.5471 -17.5471 -13.4730 -13.4730 -13.3609 -13.3609 -12.3030 -12.3030 -12.1979 -12.1979 -9.4363 -9.4363 -9.2553 -9.2553 -5.6943 -5.6943 -5.5361 -5.5361 -5.4869 -5.4869 -5.3134 -5.3134 -5.0941 -5.0941 -4.7709 -4.7709 -4.5388 -4.5388 -4.4388 -4.4388 -3.3023 -3.3023 -3.1434 -3.1434 -3.0496 -3.0496 -2.9444 -2.9444 -2.1236 -2.1236 -1.9100 -1.9100 0.1041 0.1041 0.2508 0.2508 0.7526 0.7526 0.9986 0.9986 5.7301 5.7301 6.0571 6.0571 6.3508 6.3508 6.5366 6.5366 7.1269 7.1269 k = 0.0000 0.0000 0.1888 ( 7401 PWs) bands (ev): -17.6839 -17.6839 -17.5496 -17.5496 -13.4711 -13.4711 -13.3603 -13.3603 -12.3047 -12.3047 -12.2023 -12.2023 -9.4355 -9.4355 -9.2512 -9.2512 -5.6815 -5.6815 -5.5252 -5.5252 -5.4804 -5.4804 -5.3254 -5.3254 -5.0948 -5.0948 -4.7772 -4.7772 -4.5344 -4.5344 -4.4419 -4.4419 -3.3245 -3.3245 -3.1408 -3.1408 -3.0511 -3.0511 -2.9439 -2.9439 -2.1324 -2.1324 -1.9045 -1.9045 0.1039 0.1039 0.2458 0.2458 0.7568 0.7568 0.9990 0.9990 5.7270 5.7270 6.0295 6.0295 6.3502 6.3502 6.5572 6.5572 7.1195 7.1195 k = 0.0000 0.0000 0.2046 ( 7395 PWs) bands (ev): -17.6814 -17.6814 -17.5522 -17.5522 -13.4693 -13.4693 -13.3597 -13.3597 -12.3064 -12.3064 -12.2067 -12.2067 -9.4346 -9.4346 -9.2471 -9.2471 -5.6681 -5.6681 -5.5140 -5.5140 -5.4737 -5.4737 -5.3378 -5.3378 -5.0961 -5.0961 -4.7833 -4.7833 -4.5300 -4.5300 -4.4452 -4.4452 -3.3466 -3.3466 -3.1378 -3.1378 -3.0528 -3.0528 -2.9438 -2.9438 -2.1412 -2.1412 -1.8991 -1.8991 0.1037 0.1037 0.2408 0.2408 0.7608 0.7608 0.9995 0.9995 5.7241 5.7241 6.0025 6.0025 6.3511 6.3511 6.5790 6.5790 7.1114 7.1114 k = 0.0000 0.0000 0.2203 ( 7395 PWs) bands (ev): -17.6788 -17.6788 -17.5548 -17.5548 -13.4674 -13.4674 -13.3591 -13.3591 -12.3079 -12.3079 -12.2112 -12.2112 -9.4338 -9.4338 -9.2431 -9.2431 -5.6542 -5.6542 -5.5030 -5.5030 -5.4666 -5.4666 -5.3504 -5.3504 -5.0980 -5.0980 -4.7893 -4.7893 -4.5256 -4.5256 -4.4486 -4.4486 -3.3682 -3.3682 -3.1347 -3.1347 -3.0547 -3.0547 -2.9441 -2.9441 -2.1497 -2.1497 -1.8938 -1.8938 0.1036 0.1036 0.2358 0.2358 0.7646 0.7646 0.9999 0.9999 5.7218 5.7218 5.9759 5.9759 6.3533 6.3533 6.6019 6.6019 7.1028 7.1028 k = 0.0000 0.0000 0.2360 ( 7395 PWs) bands (ev): -17.6762 -17.6762 -17.5575 -17.5575 -13.4656 -13.4656 -13.3586 -13.3586 -12.3092 -12.3092 -12.2157 -12.2157 -9.4330 -9.4330 -9.2392 -9.2392 -5.6397 -5.6397 -5.4922 -5.4922 -5.4595 -5.4595 -5.3631 -5.3631 -5.1005 -5.1005 -4.7949 -4.7949 -4.5213 -4.5213 -4.4521 -4.4521 -3.3890 -3.3890 -3.1314 -3.1314 -3.0567 -3.0567 -2.9445 -2.9445 -2.1577 -2.1577 -1.8887 -1.8887 0.1036 0.1036 0.2309 0.2309 0.7683 0.7683 1.0004 1.0004 5.7202 5.7202 5.9501 5.9501 6.3563 6.3563 6.6257 6.6257 7.0935 7.0935 k = 0.0000 0.0000 0.2518 ( 7394 PWs) bands (ev): -17.6736 -17.6736 -17.5602 -17.5602 -13.4638 -13.4638 -13.3582 -13.3582 -12.3104 -12.3104 -12.2200 -12.2200 -9.4322 -9.4322 -9.2356 -9.2356 -5.6250 -5.6250 -5.4820 -5.4820 -5.4523 -5.4523 -5.3758 -5.3758 -5.1034 -5.1034 -4.8002 -4.8002 -4.5171 -4.5171 -4.4557 -4.4557 -3.4086 -3.4086 -3.1280 -3.1280 -3.0589 -3.0589 -2.9452 -2.9452 -2.1653 -2.1653 -1.8840 -1.8840 0.1036 0.1036 0.2262 0.2262 0.7716 0.7716 1.0008 1.0008 5.7197 5.7197 5.9252 5.9252 6.3597 6.3597 6.6502 6.6502 7.0835 7.0835 k = 0.0000 0.0000 0.2675 ( 7389 PWs) bands (ev): -17.6711 -17.6711 -17.5627 -17.5627 -13.4622 -13.4622 -13.3577 -13.3577 -12.3114 -12.3114 -12.2241 -12.2241 -9.4314 -9.4314 -9.2323 -9.2323 -5.6099 -5.6099 -5.4728 -5.4728 -5.4453 -5.4453 -5.3884 -5.3884 -5.1066 -5.1066 -4.8050 -4.8050 -4.5130 -4.5130 -4.4594 -4.4594 -3.4268 -3.4268 -3.1247 -3.1247 -3.0611 -3.0611 -2.9459 -2.9459 -2.1722 -2.1722 -1.8796 -1.8796 0.1038 0.1038 0.2217 0.2217 0.7747 0.7747 1.0012 1.0012 5.7204 5.7204 5.9012 5.9012 6.3634 6.3634 6.6748 6.6748 7.0730 7.0730 k = 0.0000 0.0000 0.2832 ( 7383 PWs) bands (ev): -17.6688 -17.6688 -17.5652 -17.5652 -13.4607 -13.4607 -13.3574 -13.3574 -12.3122 -12.3122 -12.2279 -12.2279 -9.4308 -9.4308 -9.2292 -9.2292 -5.5948 -5.5948 -5.4647 -5.4647 -5.4393 -5.4393 -5.4001 -5.4001 -5.1100 -5.1100 -4.8093 -4.8093 -4.5089 -4.5089 -4.4631 -4.4631 -3.4432 -3.4432 -3.1215 -3.1215 -3.0633 -3.0633 -2.9467 -2.9467 -2.1785 -2.1785 -1.8756 -1.8756 0.1040 0.1040 0.2177 0.2177 0.7774 0.7774 1.0016 1.0016 5.7225 5.7225 5.8784 5.8784 6.3670 6.3670 6.6991 6.6991 7.0620 7.0620 k = 0.0000 0.0000 0.2990 ( 7374 PWs) bands (ev): -17.6666 -17.6666 -17.5674 -17.5674 -13.4593 -13.4593 -13.3571 -13.3571 -12.3128 -12.3128 -12.2312 -12.2312 -9.4302 -9.4302 -9.2266 -9.2266 -5.5796 -5.5796 -5.4583 -5.4583 -5.4361 -5.4361 -5.4090 -5.4090 -5.1134 -5.1134 -4.8131 -4.8131 -4.5049 -4.5049 -4.4669 -4.4669 -3.4576 -3.4576 -3.1185 -3.1185 -3.0654 -3.0654 -2.9474 -2.9474 -2.1839 -2.1839 -1.8722 -1.8722 0.1043 0.1043 0.2141 0.2141 0.7798 0.7798 1.0019 1.0019 5.7261 5.7261 5.8568 5.8568 6.3703 6.3703 6.7225 6.7225 7.0507 7.0507 k = 0.0000 0.0000 0.3147 ( 7378 PWs) bands (ev): -17.6647 -17.6647 -17.5693 -17.5693 -13.4582 -13.4582 -13.3569 -13.3569 -12.3132 -12.3132 -12.2342 -12.2342 -9.4297 -9.4297 -9.2244 -9.2244 -5.5646 -5.5646 -5.4545 -5.4545 -5.4384 -5.4384 -5.4117 -5.4117 -5.1166 -5.1166 -4.8163 -4.8163 -4.5010 -4.5010 -4.4707 -4.4707 -3.4697 -3.4697 -3.1158 -3.1158 -3.0674 -3.0674 -2.9481 -2.9481 -2.1884 -2.1884 -1.8693 -1.8693 0.1045 0.1045 0.2110 0.2110 0.7817 0.7817 1.0022 1.0022 5.7313 5.7313 5.8365 5.8365 6.3732 6.3732 6.7442 6.7442 7.0395 7.0395 k = 0.0000 0.0000 0.3304 ( 7375 PWs) bands (ev): -17.6631 -17.6631 -17.5709 -17.5709 -13.4573 -13.4573 -13.3567 -13.3567 -12.3135 -12.3135 -12.2366 -12.2366 -9.4293 -9.4293 -9.2226 -9.2226 -5.5499 -5.5499 -5.4573 -5.4573 -5.4411 -5.4411 -5.4096 -5.4096 -5.1194 -5.1194 -4.8188 -4.8188 -4.4971 -4.4971 -4.4745 -4.4745 -3.4793 -3.4793 -3.1135 -3.1135 -3.0691 -3.0691 -2.9487 -2.9487 -2.1920 -2.1920 -1.8669 -1.8669 0.1048 0.1048 0.2085 0.2085 0.7833 0.7833 1.0024 1.0024 5.7382 5.7382 5.8178 5.8178 6.3756 6.3756 6.7633 6.7633 7.0291 7.0291 k = 0.0000 0.0000 0.3462 ( 7375 PWs) bands (ev): -17.6619 -17.6619 -17.5721 -17.5721 -13.4566 -13.4566 -13.3566 -13.3566 -12.3137 -12.3137 -12.2383 -12.2383 -9.4290 -9.4290 -9.2213 -9.2213 -5.5361 -5.5361 -5.4666 -5.4666 -5.4401 -5.4401 -5.4066 -5.4066 -5.1216 -5.1216 -4.8206 -4.8206 -4.4933 -4.4933 -4.4782 -4.4782 -3.4863 -3.4863 -3.1117 -3.1117 -3.0705 -3.0705 -2.9492 -2.9492 -2.1946 -2.1946 -1.8653 -1.8653 0.1050 0.1050 0.2066 0.2066 0.7844 0.7844 1.0026 1.0026 5.7468 5.7468 5.8007 5.8007 6.3774 6.3774 6.7784 6.7784 7.0203 7.0203 k = 0.0000 0.0000 0.3619 ( 7372 PWs) bands (ev): -17.6612 -17.6612 -17.5729 -17.5729 -13.4562 -13.4562 -13.3565 -13.3565 -12.3138 -12.3138 -12.2394 -12.2394 -9.4288 -9.4288 -9.2206 -9.2206 -5.5246 -5.5246 -5.4765 -5.4765 -5.4388 -5.4388 -5.4044 -5.4044 -5.1230 -5.1230 -4.8217 -4.8217 -4.4895 -4.4895 -4.4820 -4.4820 -3.4906 -3.4906 -3.1106 -3.1106 -3.0713 -3.0713 -2.9495 -2.9495 -2.1962 -2.1962 -1.8642 -1.8642 0.1051 0.1051 0.2055 0.2055 0.7850 0.7850 1.0027 1.0027 5.7568 5.7568 5.7855 5.7855 6.3784 6.3784 6.7882 6.7882 7.0144 7.0144 k = 0.0000 0.0000 0.3777 ( 7366 PWs) bands (ev): -17.6610 -17.6610 -17.5731 -17.5731 -13.4560 -13.4560 -13.3565 -13.3565 -12.3138 -12.3138 -12.2398 -12.2398 -9.4287 -9.4287 -9.2203 -9.2203 -5.5193 -5.5193 -5.4813 -5.4813 -5.4383 -5.4383 -5.4036 -5.4036 -5.1234 -5.1234 -4.8221 -4.8221 -4.4858 -4.4858 -4.4857 -4.4857 -3.4920 -3.4920 -3.1102 -3.1102 -3.0716 -3.0716 -2.9495 -2.9495 -2.1967 -2.1967 -1.8639 -1.8639 0.1051 0.1051 0.2051 0.2051 0.7853 0.7853 1.0027 1.0027 5.7645 5.7645 5.7761 5.7761 6.3788 6.3788 6.7917 6.7917 7.0123 7.0123 k = 0.0000-0.4061 0.2542 ( 7388 PWs) bands (ev): -17.6702 -17.6702 -17.5596 -17.5596 -13.4088 -13.4088 -13.3915 -13.3915 -12.4100 -12.4100 -12.1630 -12.1630 -9.3883 -9.3883 -9.3315 -9.3315 -5.5464 -5.5464 -5.4672 -5.4672 -5.4294 -5.4294 -5.2658 -5.2658 -5.0349 -5.0349 -4.8986 -4.8986 -4.5747 -4.5747 -4.4808 -4.4808 -3.4725 -3.4725 -3.1219 -3.1219 -3.0200 -3.0200 -2.9983 -2.9983 -2.0374 -2.0374 -1.8915 -1.8915 0.1327 0.1327 0.2808 0.2808 0.8732 0.8732 0.9698 0.9698 5.4416 5.4416 5.8035 5.8035 6.2605 6.2605 6.5252 6.5252 7.2842 7.2842 k = 0.0000-0.3930 0.2460 ( 7388 PWs) bands (ev): -17.6703 -17.6703 -17.5595 -17.5595 -13.4091 -13.4091 -13.3913 -13.3913 -12.4093 -12.4093 -12.1633 -12.1633 -9.3888 -9.3888 -9.3310 -9.3310 -5.5468 -5.5468 -5.4690 -5.4690 -5.4284 -5.4284 -5.2656 -5.2656 -5.0351 -5.0351 -4.8987 -4.8987 -4.5742 -4.5742 -4.4808 -4.4808 -3.4720 -3.4720 -3.1220 -3.1220 -3.0208 -3.0208 -2.9970 -2.9970 -2.0374 -2.0374 -1.8918 -1.8918 0.1330 0.1330 0.2804 0.2804 0.8728 0.8728 0.9699 0.9699 5.4428 5.4428 5.8036 5.8036 6.2602 6.2602 6.5255 6.5255 7.2591 7.2591 k = 0.0000-0.3799 0.2378 ( 7395 PWs) bands (ev): -17.6706 -17.6706 -17.5593 -17.5593 -13.4102 -13.4102 -13.3908 -13.3908 -12.4075 -12.4075 -12.1643 -12.1643 -9.3903 -9.3903 -9.3294 -9.3294 -5.5481 -5.5481 -5.4739 -5.4739 -5.4258 -5.4258 -5.2649 -5.2649 -5.0357 -5.0357 -4.8989 -4.8989 -4.5727 -4.5727 -4.4809 -4.4809 -3.4706 -3.4706 -3.1221 -3.1221 -3.0229 -3.0229 -2.9935 -2.9935 -2.0373 -2.0373 -1.8926 -1.8926 0.1340 0.1340 0.2792 0.2792 0.8715 0.8715 0.9701 0.9701 5.4461 5.4461 5.8041 5.8041 6.2592 6.2592 6.5265 6.5265 7.2286 7.2286 k = 0.0000-0.3668 0.2296 ( 7392 PWs) bands (ev): -17.6711 -17.6711 -17.5588 -17.5588 -13.4118 -13.4118 -13.3900 -13.3900 -12.4043 -12.4043 -12.1659 -12.1659 -9.3925 -9.3925 -9.3271 -9.3271 -5.5501 -5.5501 -5.4808 -5.4808 -5.4226 -5.4226 -5.2637 -5.2637 -5.0367 -5.0367 -4.8993 -4.8993 -4.5703 -4.5703 -4.4811 -4.4811 -3.4682 -3.4682 -3.1222 -3.1222 -3.0254 -3.0254 -2.9885 -2.9885 -2.0372 -2.0372 -1.8938 -1.8938 0.1356 0.1356 0.2774 0.2774 0.8693 0.8693 0.9704 0.9704 5.4517 5.4517 5.8049 5.8049 6.2576 6.2576 6.5280 6.5280 7.2001 7.2001 k = 0.0000-0.3537 0.2214 ( 7396 PWs) bands (ev): -17.6717 -17.6717 -17.5582 -17.5582 -13.4139 -13.4139 -13.3891 -13.3891 -12.4000 -12.4000 -12.1681 -12.1681 -9.3952 -9.3952 -9.3242 -9.3242 -5.5530 -5.5530 -5.4889 -5.4889 -5.4197 -5.4197 -5.2620 -5.2620 -5.0382 -5.0382 -4.8995 -4.8995 -4.5671 -4.5671 -4.4814 -4.4814 -3.4649 -3.4649 -3.1225 -3.1225 -3.0279 -3.0279 -2.9827 -2.9827 -2.0370 -2.0370 -1.8956 -1.8956 0.1378 0.1378 0.2747 0.2747 0.8663 0.8663 0.9708 0.9708 5.4593 5.4593 5.8061 5.8061 6.2555 6.2555 6.5300 6.5300 7.1742 7.1742 k = 0.0000-0.3406 0.2132 ( 7395 PWs) bands (ev): -17.6725 -17.6725 -17.5575 -17.5575 -13.4164 -13.4164 -13.3881 -13.3881 -12.3946 -12.3946 -12.1709 -12.1709 -9.3984 -9.3984 -9.3208 -9.3208 -5.5568 -5.5568 -5.4977 -5.4977 -5.4175 -5.4175 -5.2600 -5.2600 -5.0401 -5.0401 -4.8995 -4.8995 -4.5631 -4.5631 -4.4817 -4.4817 -3.4606 -3.4606 -3.1230 -3.1230 -3.0302 -3.0302 -2.9763 -2.9763 -2.0368 -2.0368 -1.8979 -1.8979 0.1407 0.1407 0.2714 0.2714 0.8625 0.8625 0.9713 0.9713 5.4690 5.4690 5.8080 5.8080 6.2530 6.2530 6.5322 6.5322 7.1509 7.1509 k = 0.0000-0.3275 0.2050 ( 7394 PWs) bands (ev): -17.6735 -17.6735 -17.5567 -17.5567 -13.4192 -13.4192 -13.3870 -13.3870 -12.3881 -12.3881 -12.1742 -12.1742 -9.4017 -9.4017 -9.3172 -9.3172 -5.5616 -5.5616 -5.5068 -5.5068 -5.4162 -5.4162 -5.2575 -5.2575 -5.0425 -5.0425 -4.8991 -4.8991 -4.5587 -4.5587 -4.4820 -4.4820 -3.4552 -3.4552 -3.1236 -3.1236 -3.0322 -3.0322 -2.9695 -2.9695 -2.0365 -2.0365 -1.9005 -1.9005 0.1441 0.1441 0.2673 0.2673 0.8579 0.8579 0.9720 0.9720 5.4806 5.4806 5.8105 5.8105 6.2502 6.2502 6.5347 6.5347 7.1300 7.1300 k = 0.0000-0.3144 0.1968 ( 7395 PWs) bands (ev): -17.6745 -17.6745 -17.5557 -17.5557 -13.4223 -13.4223 -13.3859 -13.3859 -12.3805 -12.3805 -12.1781 -12.1781 -9.4052 -9.4052 -9.3135 -9.3135 -5.5673 -5.5673 -5.5160 -5.5160 -5.4158 -5.4158 -5.2547 -5.2547 -5.0454 -5.0454 -4.8980 -4.8980 -4.5538 -4.5538 -4.4822 -4.4822 -3.4488 -3.4488 -3.1244 -3.1244 -3.0338 -3.0338 -2.9624 -2.9624 -2.0362 -2.0362 -1.9036 -1.9036 0.1481 0.1481 0.2625 0.2625 0.8528 0.8528 0.9727 0.9727 5.4939 5.4939 5.8140 5.8140 6.2472 6.2472 6.5370 6.5370 7.1116 7.1116 k = 0.0000-0.3013 0.1886 ( 7399 PWs) bands (ev): -17.6757 -17.6757 -17.5546 -17.5546 -13.4255 -13.4255 -13.3848 -13.3848 -12.3721 -12.3721 -12.1824 -12.1824 -9.4087 -9.4087 -9.3098 -9.3098 -5.5741 -5.5741 -5.5249 -5.5249 -5.4165 -5.4165 -5.2517 -5.2517 -5.0488 -5.0488 -4.8962 -4.8962 -4.5488 -4.5488 -4.4824 -4.4824 -3.4413 -3.4413 -3.1254 -3.1254 -3.0352 -3.0352 -2.9553 -2.9553 -2.0360 -2.0360 -1.9070 -1.9070 0.1526 0.1526 0.2572 0.2572 0.8470 0.8470 0.9735 0.9735 5.5087 5.5087 5.8186 5.8186 6.2441 6.2441 6.5391 6.5391 7.0954 7.0954 k = 0.0000-0.2882 0.1804 ( 7401 PWs) bands (ev): -17.6770 -17.6770 -17.5534 -17.5534 -13.4290 -13.4290 -13.3837 -13.3837 -12.3628 -12.3628 -12.1872 -12.1872 -9.4121 -9.4121 -9.3062 -9.3062 -5.5821 -5.5821 -5.5333 -5.5333 -5.4182 -5.4182 -5.2485 -5.2485 -5.0526 -5.0526 -4.8934 -4.8934 -4.5439 -4.5439 -4.4823 -4.4823 -3.4327 -3.4327 -3.1267 -3.1267 -3.0362 -3.0362 -2.9483 -2.9483 -2.0357 -2.0357 -1.9107 -1.9107 0.1577 0.1577 0.2512 0.2512 0.8407 0.8407 0.9744 0.9744 5.5247 5.5247 5.8246 5.8246 6.2412 6.2412 6.5408 6.5408 7.0814 7.0814 k = 0.0000-0.2751 0.1722 ( 7401 PWs) bands (ev): -17.6784 -17.6784 -17.5521 -17.5521 -13.4326 -13.4326 -13.3826 -13.3826 -12.3528 -12.3528 -12.1924 -12.1924 -9.4153 -9.4153 -9.3028 -9.3028 -5.5912 -5.5912 -5.5410 -5.5410 -5.4209 -5.4209 -5.2452 -5.2452 -5.0567 -5.0567 -4.8897 -4.8897 -4.5392 -4.5392 -4.4820 -4.4820 -3.4230 -3.4230 -3.1282 -3.1282 -3.0370 -3.0370 -2.9415 -2.9415 -2.0354 -2.0354 -1.9145 -1.9145 0.1632 0.1632 0.2447 0.2447 0.8339 0.8339 0.9754 0.9754 5.5417 5.5417 5.8324 5.8324 6.2385 6.2385 6.5417 6.5417 7.0694 7.0694 k = 0.0000-0.2620 0.1640 ( 7390 PWs) bands (ev): -17.6799 -17.6799 -17.5508 -17.5508 -13.4362 -13.4362 -13.3814 -13.3814 -12.3422 -12.3422 -12.1978 -12.1978 -9.4185 -9.4185 -9.2996 -9.2996 -5.6013 -5.6013 -5.5482 -5.5482 -5.4245 -5.4245 -5.2420 -5.2420 -5.0612 -5.0612 -4.8849 -4.8849 -4.5351 -4.5351 -4.4811 -4.4811 -3.4123 -3.4123 -3.1298 -3.1298 -3.0375 -3.0375 -2.9351 -2.9351 -2.0352 -2.0352 -1.9186 -1.9186 0.1690 0.1690 0.2378 0.2378 0.8269 0.8269 0.9764 0.9764 5.5593 5.5593 5.8422 5.8422 6.2362 6.2362 6.5418 6.5418 7.0592 7.0592 k = 0.0000-0.2489 0.1558 ( 7391 PWs) bands (ev): -17.6814 -17.6814 -17.5495 -17.5495 -13.4399 -13.4399 -13.3803 -13.3803 -12.3311 -12.3311 -12.2036 -12.2036 -9.4214 -9.4214 -9.2966 -9.2966 -5.6122 -5.6122 -5.5546 -5.5546 -5.4289 -5.4289 -5.2389 -5.2389 -5.0657 -5.0657 -4.8792 -4.8792 -4.5318 -4.5318 -4.4796 -4.4796 -3.4007 -3.4007 -3.1315 -3.1315 -3.0378 -3.0378 -2.9293 -2.9293 -2.0350 -2.0350 -1.9227 -1.9227 0.1752 0.1752 0.2306 0.2306 0.8195 0.8195 0.9775 0.9775 5.5771 5.5771 5.8545 5.8545 6.2344 6.2344 6.5409 6.5409 7.0506 7.0506 k = 0.0000-0.2358 0.1476 ( 7391 PWs) bands (ev): -17.6829 -17.6829 -17.5481 -17.5481 -13.4437 -13.4437 -13.3792 -13.3792 -12.3196 -12.3196 -12.2096 -12.2096 -9.4241 -9.4241 -9.2939 -9.2939 -5.6237 -5.6237 -5.5606 -5.5606 -5.4340 -5.4340 -5.2361 -5.2361 -5.0703 -5.0703 -4.8725 -4.8725 -4.5295 -4.5295 -4.4774 -4.4774 -3.3881 -3.3881 -3.1334 -3.1334 -3.0379 -3.0379 -2.9242 -2.9242 -2.0350 -2.0350 -1.9268 -1.9268 0.1813 0.1813 0.2233 0.2233 0.8120 0.8120 0.9787 0.9787 5.5947 5.5947 5.8694 5.8694 6.2333 6.2333 6.5388 6.5388 7.0433 7.0433 k = 0.0000-0.2227 0.1394 ( 7390 PWs) bands (ev): -17.6844 -17.6844 -17.5467 -17.5467 -13.4474 -13.4474 -13.3781 -13.3781 -12.3080 -12.3080 -12.2156 -12.2156 -9.4266 -9.4266 -9.2914 -9.2914 -5.6356 -5.6356 -5.5660 -5.5660 -5.4396 -5.4396 -5.2336 -5.2336 -5.0749 -5.0749 -4.8649 -4.8649 -4.5282 -4.5282 -4.4744 -4.4744 -3.3746 -3.3746 -3.1353 -3.1353 -3.0379 -3.0379 -2.9199 -2.9199 -2.0352 -2.0352 -1.9308 -1.9308 0.1870 0.1870 0.2164 0.2164 0.8043 0.8043 0.9799 0.9799 5.6117 5.6117 5.8875 5.8875 6.2329 6.2329 6.5355 6.5355 7.0370 7.0370 k = 0.0000-0.2096 0.1312 ( 7395 PWs) bands (ev): -17.6859 -17.6859 -17.5454 -17.5454 -13.4510 -13.4510 -13.3770 -13.3770 -12.2962 -12.2962 -12.2218 -12.2218 -9.4289 -9.4289 -9.2893 -9.2893 -5.6476 -5.6476 -5.5710 -5.5710 -5.4458 -5.4458 -5.2314 -5.2314 -5.0793 -5.0793 -4.8564 -4.8564 -4.5280 -4.5280 -4.4707 -4.4707 -3.3604 -3.3604 -3.1372 -3.1372 -3.0377 -3.0377 -2.9166 -2.9166 -2.0355 -2.0355 -1.9345 -1.9345 0.1905 0.1905 0.2118 0.2118 0.7967 0.7967 0.9812 0.9812 5.6278 5.6278 5.9087 5.9087 6.2333 6.2333 6.5309 6.5309 7.0315 7.0315 k = 0.0000-0.1965 0.1230 ( 7394 PWs) bands (ev): -17.6875 -17.6875 -17.5440 -17.5440 -13.4546 -13.4546 -13.3759 -13.3759 -12.2845 -12.2845 -12.2278 -12.2278 -9.4309 -9.4309 -9.2875 -9.2875 -5.6597 -5.6597 -5.5756 -5.5756 -5.4523 -5.4523 -5.2296 -5.2296 -5.0834 -5.0834 -4.8473 -4.8473 -4.5288 -4.5288 -4.4665 -4.4665 -3.3455 -3.3455 -3.1390 -3.1390 -3.0375 -3.0375 -2.9143 -2.9143 -2.0361 -2.0361 -1.9380 -1.9380 0.1887 0.1887 0.2124 0.2124 0.7891 0.7891 0.9825 0.9825 5.6427 5.6427 5.9333 5.9333 6.2347 6.2347 6.5251 6.5251 7.0263 7.0263 k = 0.0000-0.1834 0.1148 ( 7394 PWs) bands (ev): -17.6889 -17.6889 -17.5427 -17.5427 -13.4581 -13.4581 -13.3748 -13.3748 -12.2732 -12.2732 -12.2334 -12.2334 -9.4328 -9.4328 -9.2860 -9.2860 -5.6717 -5.6717 -5.5798 -5.5798 -5.4590 -5.4590 -5.2282 -5.2282 -5.0873 -5.0873 -4.8375 -4.8375 -4.5303 -4.5303 -4.4620 -4.4620 -3.3300 -3.3300 -3.1407 -3.1407 -3.0373 -3.0373 -2.9131 -2.9131 -2.0369 -2.0369 -1.9412 -1.9412 0.1825 0.1825 0.2174 0.2174 0.7816 0.7816 0.9838 0.9838 5.6564 5.6564 5.9612 5.9612 6.2370 6.2370 6.5182 6.5182 7.0210 7.0210 k = 0.0000-0.1703 0.1066 ( 7388 PWs) bands (ev): -17.6904 -17.6904 -17.5414 -17.5414 -13.4614 -13.4614 -13.3737 -13.3737 -12.2631 -12.2631 -12.2381 -12.2381 -9.4344 -9.4344 -9.2848 -9.2848 -5.6833 -5.6833 -5.5836 -5.5836 -5.4659 -5.4659 -5.2272 -5.2272 -5.0909 -5.0909 -4.8272 -4.8272 -4.5325 -4.5325 -4.4574 -4.4574 -3.3141 -3.3141 -3.1422 -3.1422 -3.0370 -3.0370 -2.9130 -2.9130 -2.0381 -2.0381 -1.9439 -1.9439 0.1749 0.1749 0.2240 0.2240 0.7743 0.7743 0.9851 0.9851 5.6689 5.6689 5.9921 5.9921 6.2404 6.2404 6.5103 6.5103 7.0153 7.0153 k = 0.0000-0.1572 0.0984 ( 7388 PWs) bands (ev): -17.6917 -17.6917 -17.5401 -17.5401 -13.4646 -13.4646 -13.3727 -13.3727 -12.2567 -12.2567 -12.2391 -12.2391 -9.4358 -9.4358 -9.2839 -9.2839 -5.6946 -5.6946 -5.5871 -5.5871 -5.4728 -5.4728 -5.2266 -5.2266 -5.0941 -5.0941 -4.8166 -4.8166 -4.5352 -4.5352 -4.4527 -4.4527 -3.2980 -3.2980 -3.1435 -3.1435 -3.0367 -3.0367 -2.9141 -2.9141 -2.0395 -2.0395 -1.9462 -1.9462 0.1668 0.1668 0.2310 0.2310 0.7673 0.7673 0.9864 0.9864 5.6802 5.6802 6.0258 6.0258 6.2448 6.2448 6.5015 6.5015 7.0085 7.0085 k = 0.0000-0.1441 0.0902 ( 7386 PWs) bands (ev): -17.6931 -17.6931 -17.5390 -17.5390 -13.4676 -13.4676 -13.3717 -13.3717 -12.2574 -12.2574 -12.2333 -12.2333 -9.4370 -9.4370 -9.2832 -9.2832 -5.7054 -5.7054 -5.5902 -5.5902 -5.4796 -5.4796 -5.2263 -5.2263 -5.0970 -5.0970 -4.8058 -4.8058 -4.5383 -4.5383 -4.4481 -4.4481 -3.2819 -3.2819 -3.1444 -3.1444 -3.0365 -3.0365 -2.9163 -2.9163 -2.0413 -2.0413 -1.9480 -1.9480 0.1588 0.1588 0.2380 0.2380 0.7606 0.7606 0.9877 0.9877 5.6904 5.6904 6.0618 6.0618 6.2503 6.2503 6.4922 6.4922 7.0004 7.0004 k = 0.0000-0.1310 0.0820 ( 7385 PWs) bands (ev): -17.6943 -17.6943 -17.5379 -17.5379 -13.4704 -13.4704 -13.3707 -13.3707 -12.2614 -12.2614 -12.2244 -12.2244 -9.4380 -9.4380 -9.2828 -9.2828 -5.7156 -5.7156 -5.5930 -5.5930 -5.4863 -5.4863 -5.2263 -5.2263 -5.0995 -5.0995 -4.7949 -4.7949 -4.5418 -4.5418 -4.4438 -4.4438 -3.2659 -3.2659 -3.1448 -3.1448 -3.0364 -3.0364 -2.9197 -2.9197 -2.0432 -2.0432 -1.9494 -1.9494 0.1509 0.1509 0.2450 0.2450 0.7543 0.7543 0.9890 0.9890 5.6996 5.6996 6.0996 6.0996 6.2567 6.2567 6.4826 6.4826 6.9904 6.9904 k = 0.0000-0.1179 0.0738 ( 7381 PWs) bands (ev): -17.6954 -17.6954 -17.5368 -17.5368 -13.4730 -13.4730 -13.3699 -13.3699 -12.2660 -12.2660 -12.2153 -12.2153 -9.4388 -9.4388 -9.2825 -9.2825 -5.7250 -5.7250 -5.5953 -5.5953 -5.4926 -5.4926 -5.2265 -5.2265 -5.1017 -5.1017 -4.7841 -4.7841 -4.5456 -4.5456 -4.4397 -4.4397 -3.2504 -3.2504 -3.1446 -3.1446 -3.0364 -3.0364 -2.9241 -2.9241 -2.0453 -2.0453 -1.9504 -1.9504 0.1434 0.1434 0.2516 0.2516 0.7485 0.7485 0.9902 0.9902 5.7078 5.7078 6.1386 6.1386 6.2641 6.2641 6.4731 6.4731 6.9783 6.9783 k = 0.0000-0.1048 0.0656 ( 7392 PWs) bands (ev): -17.6965 -17.6965 -17.5359 -17.5359 -13.4753 -13.4753 -13.3690 -13.3690 -12.2705 -12.2705 -12.2066 -12.2066 -9.4396 -9.4396 -9.2824 -9.2824 -5.7338 -5.7338 -5.5974 -5.5974 -5.4987 -5.4987 -5.2269 -5.2269 -5.1036 -5.1036 -4.7736 -4.7736 -4.5495 -4.5495 -4.4359 -4.4359 -3.2358 -3.2358 -3.1435 -3.1435 -3.0366 -3.0366 -2.9293 -2.9293 -2.0475 -2.0475 -1.9510 -1.9510 0.1364 0.1364 0.2579 0.2579 0.7431 0.7431 0.9913 0.9913 5.7152 5.7152 6.1779 6.1779 6.2725 6.2725 6.4641 6.4641 6.9638 6.9638 k = 0.0000-0.0917 0.0574 ( 7390 PWs) bands (ev): -17.6974 -17.6974 -17.5351 -17.5351 -13.4774 -13.4774 -13.3683 -13.3683 -12.2747 -12.2747 -12.1986 -12.1986 -9.4401 -9.4401 -9.2825 -9.2825 -5.7416 -5.7416 -5.5991 -5.5991 -5.5042 -5.5042 -5.2274 -5.2274 -5.1051 -5.1051 -4.7635 -4.7635 -4.5536 -4.5536 -4.4325 -4.4325 -3.2225 -3.2225 -3.1411 -3.1411 -3.0371 -3.0371 -2.9353 -2.9353 -2.0497 -2.0497 -1.9514 -1.9514 0.1300 0.1300 0.2636 0.2636 0.7382 0.7382 0.9924 0.9924 5.7217 5.7217 6.2161 6.2161 6.2821 6.2821 6.4563 6.4563 6.9469 6.9469 k = 0.0000-0.0786 0.0492 ( 7392 PWs) bands (ev): -17.6982 -17.6982 -17.5343 -17.5343 -13.4793 -13.4793 -13.3676 -13.3676 -12.2784 -12.2784 -12.1914 -12.1914 -9.4406 -9.4406 -9.2826 -9.2826 -5.7485 -5.7485 -5.6006 -5.6006 -5.5093 -5.5093 -5.2279 -5.2279 -5.1064 -5.1064 -4.7540 -4.7540 -4.5576 -4.5576 -4.4295 -4.4295 -3.2111 -3.2111 -3.1372 -3.1372 -3.0379 -3.0379 -2.9418 -2.9418 -2.0518 -2.0518 -1.9515 -1.9515 0.1242 0.1242 0.2688 0.2688 0.7339 0.7339 0.9933 0.9933 5.7274 5.7274 6.2509 6.2509 6.2936 6.2936 6.4507 6.4507 6.9277 6.9277 k = 0.0000-0.0655 0.0410 ( 7394 PWs) bands (ev): -17.6990 -17.6990 -17.5337 -17.5337 -13.4808 -13.4808 -13.3671 -13.3671 -12.2817 -12.2817 -12.1852 -12.1852 -9.4409 -9.4409 -9.2828 -9.2828 -5.7545 -5.7545 -5.6017 -5.6017 -5.5137 -5.5137 -5.2285 -5.2285 -5.1075 -5.1075 -4.7454 -4.7454 -4.5615 -4.5615 -4.4270 -4.4270 -3.2020 -3.2020 -3.1314 -3.1314 -3.0392 -3.0392 -2.9484 -2.9484 -2.0537 -2.0537 -1.9515 -1.9515 0.1192 0.1192 0.2734 0.2734 0.7302 0.7302 0.9942 0.9942 5.7323 5.7323 6.2780 6.2780 6.3086 6.3086 6.4490 6.4490 6.9064 6.9064 k = 0.0000-0.0524 0.0328 ( 7400 PWs) bands (ev): -17.6995 -17.6995 -17.5332 -17.5332 -13.4821 -13.4821 -13.3666 -13.3666 -12.2845 -12.2845 -12.1801 -12.1801 -9.4412 -9.4412 -9.2830 -9.2830 -5.7594 -5.7594 -5.6026 -5.6026 -5.5174 -5.5174 -5.2290 -5.2290 -5.1084 -5.1084 -4.7378 -4.7378 -4.5651 -4.5651 -4.4248 -4.4248 -3.1955 -3.1955 -3.1241 -3.1241 -3.0411 -3.0411 -2.9548 -2.9548 -2.0554 -2.0554 -1.9514 -1.9514 0.1150 0.1150 0.2772 0.2772 0.7272 0.7272 0.9949 0.9949 5.7364 5.7364 6.2952 6.2952 6.3257 6.3257 6.4534 6.4534 6.8839 6.8839 k = 0.0000-0.0393 0.0246 ( 7407 PWs) bands (ev): -17.7000 -17.7000 -17.5328 -17.5328 -13.4832 -13.4832 -13.3662 -13.3662 -12.2867 -12.2867 -12.1760 -12.1760 -9.4414 -9.4414 -9.2831 -9.2831 -5.7633 -5.7633 -5.6032 -5.6032 -5.5204 -5.5204 -5.2294 -5.2294 -5.1090 -5.1090 -4.7316 -4.7316 -4.5682 -4.5682 -4.4231 -4.4231 -3.1911 -3.1911 -3.1160 -3.1160 -3.0435 -3.0435 -2.9606 -2.9606 -2.0567 -2.0567 -1.9513 -1.9513 0.1117 0.1117 0.2802 0.2802 0.7247 0.7247 0.9954 0.9954 5.7395 5.7395 6.3070 6.3070 6.3377 6.3377 6.4650 6.4650 6.8616 6.8616 k = 0.0000-0.0262 0.0164 ( 7409 PWs) bands (ev): -17.7003 -17.7003 -17.5325 -17.5325 -13.4839 -13.4839 -13.3659 -13.3659 -12.2882 -12.2882 -12.1730 -12.1730 -9.4415 -9.4415 -9.2833 -9.2833 -5.7661 -5.7661 -5.6037 -5.6037 -5.5226 -5.5226 -5.2298 -5.2298 -5.1095 -5.1095 -4.7269 -4.7269 -4.5705 -4.5705 -4.4219 -4.4219 -3.1884 -3.1884 -3.1082 -3.1082 -3.0462 -3.0462 -2.9651 -2.9651 -2.0577 -2.0577 -1.9511 -1.9511 0.1093 0.1093 0.2824 0.2824 0.7230 0.7230 0.9958 0.9958 5.7418 5.7418 6.3164 6.3164 6.3422 6.3422 6.4804 6.4804 6.8418 6.8418 k = 0.0000-0.0131 0.0082 ( 7410 PWs) bands (ev): -17.7005 -17.7005 -17.5323 -17.5323 -13.4843 -13.4843 -13.3657 -13.3657 -12.2892 -12.2892 -12.1713 -12.1713 -9.4415 -9.4415 -9.2834 -9.2834 -5.7678 -5.7678 -5.6039 -5.6039 -5.5239 -5.5239 -5.2300 -5.2300 -5.1097 -5.1097 -4.7240 -4.7240 -4.5721 -4.5721 -4.4212 -4.4212 -3.1869 -3.1869 -3.1024 -3.1024 -3.0486 -3.0486 -2.9680 -2.9680 -2.0583 -2.0583 -1.9510 -1.9510 0.1079 0.1079 0.2837 0.2837 0.7220 0.7220 0.9961 0.9961 5.7432 5.7432 6.3237 6.3237 6.3416 6.3416 6.4934 6.4934 6.8277 6.8277 k = 0.0000 0.0000 0.0000 ( 7403 PWs) bands (ev): -17.7006 -17.7006 -17.5322 -17.5322 -13.4845 -13.4845 -13.3657 -13.3657 -12.2895 -12.2895 -12.1707 -12.1707 -9.4416 -9.4416 -9.2834 -9.2834 -5.7683 -5.7683 -5.6040 -5.6040 -5.5243 -5.5243 -5.2300 -5.2300 -5.1098 -5.1098 -4.7230 -4.7230 -4.5726 -4.5726 -4.4210 -4.4210 -3.1865 -3.1865 -3.1002 -3.1002 -3.0496 -3.0496 -2.9691 -2.9691 -2.0585 -2.0585 -1.9510 -1.9510 0.1074 0.1074 0.2841 0.2841 0.7216 0.7216 0.9962 0.9962 5.7437 5.7437 6.3271 6.3271 6.3403 6.3403 6.4985 6.4985 6.8225 6.8225 Writing output data file H6C2SeO.save init_run : 0.24s CPU 0.36s WALL ( 1 calls) electrons : 202.99s CPU 205.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 202.99s CPU 205.91s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 246 calls) cegterg : 186.14s CPU 188.40s WALL ( 285 calls) Called by sum_band: Called by *egterg: h_psi : 102.98s CPU 105.23s WALL ( 5310 calls) s_psi : 2.50s CPU 2.50s WALL ( 5310 calls) g_psi : 0.16s CPU 0.18s WALL ( 4779 calls) cdiaghg : 77.13s CPU 77.11s WALL ( 5025 calls) cegterg:over : 8.19s CPU 8.26s WALL ( 4779 calls) cegterg:upda : 5.25s CPU 5.51s WALL ( 4779 calls) cegterg:last : 2.80s CPU 2.83s WALL ( 777 calls) cdiaghg:chol : 3.24s CPU 3.35s WALL ( 5025 calls) cdiaghg:inve : 2.36s CPU 2.17s WALL ( 5025 calls) cdiaghg:para : 4.34s CPU 4.50s WALL ( 10050 calls) Called by h_psi: h_psi:vloc : 95.30s CPU 97.22s WALL ( 5310 calls) h_psi:vnl : 7.52s CPU 7.83s WALL ( 5310 calls) add_vuspsi : 2.84s CPU 3.01s WALL ( 5310 calls) General routines calbec : 4.66s CPU 4.81s WALL ( 5310 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 90.61s CPU 92.48s WALL ( 698464 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.20s WALL ( 492 calls) Parallel routines fft_scatter : 60.72s CPU 62.41s WALL ( 698487 calls) PWSCF : 3m52.89s CPU 4m12.10s WALL This run was terminated on: 4:30:42 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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